Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

                            ***

          ***      W W W - X R A Y P O L       ***
                  ***********************
MANGANOEUDIALYTE

1, t-eudialyte, f-eudialite, DF

Na(13)Ca(6)(Mn,Fe,Zr)(2.5)(Zr,Ti)(3)(Si,Al,Ti)Si(24)O(72)(Cl,OH)(6).H(2)O


Hexagonal  R 3m  Z = 3

R3m

14 .11 .17

Ref.Str.:

         Nomura S.F., Atencio D., Chukanov N.V, Rastsvetaeva R.K., Coutinho J.M.V.,

         Karipidis T.K. (2010) * ZRMO, 139, 35-47

         L: $Zr9.24 Ca18 Si75.57 O254.37 Mn5.72 Fe3.6 Na47.84 Al0.75 Nb0.87 Ti0.57

         K1.17 Sr2.43 Ce0.18 H40.56 C2.64 F.39$

         R: Locality - Pocos de Caldas massif, Minas Gerais, Brazil.

         N.A.D.

                   Initial data from BDM-file 

   Lattice parameters (cub. angs.,degr.):

             a =  14.2418   alpha =   90.0 
             b =  14.2418   beta  =   90.0 
             c =  30.1143   gamma =  120.0 

    Unit cell volume (cub. angs.) =  5289.73

    Molar volume ( cub.cm/mol.) =  1062.07

  Co-ordinates, thermal parameters, occupation for atomic positions:

NoP   x/a     y/b     z/c    B(j)   atom  / occupation

   1 0.3325  0.1663  0.1668   0.0    Zr    = 1.00
   2 0.9999  0.2601  0.0      0.0    Ca    = 1.00
   3 0.526   0.263   0.2514   0.0    Si    = 1.00
   4 0.9944  0.6036  0.0976   0.0    Si    = 1.00
   5 0.2081  0.4162  0.077    0.0    Si    = 1.00
   6 0.0827  0.5413  0.2585   0.0    Si    = 1.00
   7 0.057   0.3267  0.2369   0.0    Si    = 1.00
   8 0.1404  0.0702  0.0826   0.0    Si    = 1.00
   9 0.479   0.2395  0.2006   0.0    O     = 1.00
  10 0.26    0.0334  0.2085   0.0    O     = 1.00
  11 0.4061  0.3047  0.1275   0.0    O     = 1.00
  12 0.6052  0.3948  0.2562   0.0    O     = 1.00
  13 0.4342  0.2171  0.2884   0.0    O     = 1.00
  14 0.4114  0.0338  0.0453   0.0    O     = 1.00
  15 0.1011  0.3795  0.1076   0.0    O     = 1.00
  16 0.0207  0.5103  0.115    0.0    O     = 1.00
  17 0.274   0.548   0.0685   0.0    O     = 1.00
  18 0.1809  0.3619  0.0287   0.0    O     = 1.00
  19 0.0282  0.5141  0.3052   0.0    O     = 1.00
  20 0.1765  0.3539  0.2184   0.0    O     = 1.00
  21 0.0443  0.3001  0.2885   0.0    O     = 1.00
  22 0.3871  0.4321  0.2271   0.0    O     = 1.00
  23 0.3952  0.6048  0.2526   0.0    O     = 1.00
  24 0.0618  0.1237  0.0782   0.0    O     = 1.00
  25 0.1891  0.0946  0.1312   0.0    O     = 1.00
  26 0.226   0.113   0.0433   0.0    O     = 1.00
  27 0.4928  0.507   0.0017   0.0    Mn    = 0.52, Mn    = 0.0 
  28 0.52    0.48    0.9977   0.0    Fe    = 0.4 , Fe    = 0.0 
  29 0.134   0.268   0.334    0.0    Na    = 0.08, Na    = 0.0 
  30 0.3333  0.6667  0.2454   0.0    Si    = 0.38, Si    = 0.0 
  31 0.3333  0.6667  0.2839   0.0    Al    = 0.25, Al    = 0.0 
  32 0.3333  0.6667  0.2966   0.0    Nb    = 0.29, Zr    = 0.08
  33 0.3333  0.6667  0.0429   0.0    Ti    = 1.00
  34 0.3333  0.6667  0.0518   0.0    Si    = 0.37, Si    = 0.0 
  35 0.3333  0.6667  0.09     0.0    Si    = 0.44, Si    = 0.0 
  36 0.1128  0.2256  0.1523   0.0    Na    = 0.79, Na    = 0.0 
  37 0.0925  0.185   0.162    0.0    Na    = 0.21, Na    = 0.0 
  38 0.5839  0.4163  0.1638   0.0    Na    = 0.4 , Na    = 0.0 
  39 0.5585  0.4415  0.1785   0.0    Na    = 0.6 , Na    = 0.0 
  40 0.2358  0.4716  0.9557   0.0    Na    = 0.23, K     = 0.13
  41 0.222   0.1106  0.2837   0.0    Na    = 0.64, Na    = 0.0 
  42 0.4292  0.215   0.0569   0.0    Na    = 0.36, Na    = 0.0 
  43 0.4653  0.2327  0.0494   0.0    Sr    = 0.27, Ce    = 0.02
  44 0.485   0.2426  0.045    0.0    Na    = 0.35, Na    = 0.0 
  45 0.2512  0.502   0.1733   0.0    Na    = 0.23, Na    = 0.0 
  46 0.1897  0.5949  0.146    0.0    Na    = 0.4 , Na    = 0.0 
  47 0.6667  0.3333  0.1008   0.0    Cl    = 0.48, Cl    = 0.0 
  48 0.0     0.0     0.2401   0.0    Cl    = 0.4 , Cl    = 0.0 
  49 0.6667  0.3333  0.036    0.0    F     = 0.13, F     = 0.0 
  50 0.3333  0.6667  0.1426   0.0    OH    = 0.44, OH    = 0.0 
  51 0.3333  0.6667  0.196    0.0    OH    = 0.38, OH    = 0.0 
  52 0.3333  0.6667  0.9955   0.0    OH    = 0.37, OH    = 0.0 
  53 0.3333  0.6667  0.341    0.0    OH    = 0.25, OH    = 0.0 
  54 0.24    0.62    0.0009   0.0    H(2)O = 0.4 , H(2)O = 0.0 
  55 0.24    0.62    0.0009   0.0    H(2)O = 0.2 , H(2)O = 0.0 
  56 0.602   0.204   0.9961   0.0    H(2)O = 0.52, H(2)O = 0.0 
  57 0.602   0.204   0.9961   0.0    H(2)O = 0.4 , H(2)O = 0.0 
  58 0.6667  0.3333  0.123    0.0    H(2)O = 0.36, H(2)O = 0.0 
  59 0.0     0.0     0.252    0.0    H(2)O = 0.43, H(2)O = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3325     0.1663     0.1668
     2       2     0.9999     0.2601     0.0   
     3       3     0.526      0.263      0.2514
     4       4     0.9944     0.6036     0.0976
     5       5     0.2081     0.4162     0.077 
     6       6     0.0827     0.5413     0.2585
     7       7     0.057      0.3267     0.2369
     8       8     0.1404     0.0702     0.0826
     9       9     0.479      0.2395     0.2006
    10      10     0.26       0.0334     0.2085
    11      11     0.4061     0.3047     0.1275
    12      12     0.6052     0.3948     0.2562
    13      13     0.4342     0.2171     0.2884
    14      14     0.4114     0.0338     0.0453
    15      15     0.1011     0.3795     0.1076
    16      16     0.0207     0.5103     0.115 
    17      17     0.274      0.548      0.0685
    18      18     0.1809     0.3619     0.0287
    19      19     0.0282     0.5141     0.3052
    20      20     0.1765     0.3539     0.2184
    21      21     0.0443     0.3001     0.2885
    22      22     0.3871     0.4321     0.2271
    23      23     0.3952     0.6048     0.2526
    24      24     0.0618     0.1237     0.0782
    25      25     0.1891     0.0946     0.1312
    26      26     0.226      0.113      0.0433
    27      27     0.4928     0.507      0.0017
    28      28     0.52       0.48       0.9977
    29      29     0.134      0.268      0.334 
    30      30     0.3333     0.6667     0.2454
    31      31     0.3333     0.6667     0.2839
    32      32     0.3333     0.6667     0.2966
    33      33     0.3333     0.6667     0.0429
    34      34     0.3333     0.6667     0.0518
    35      35     0.3333     0.6667     0.09  
    36      36     0.1128     0.2256     0.1523
    37      37     0.0925     0.185      0.162 
    38      38     0.5839     0.4163     0.1638
    39      39     0.5585     0.4415     0.1785
    40      40     0.2358     0.4716     0.9557
    41      41     0.222      0.1106     0.2837
    42      42     0.4292     0.215      0.0569
    43      43     0.4653     0.2327     0.0494
    44      44     0.485      0.2426     0.045 
    45      45     0.2512     0.502      0.1733
    46      46     0.1897     0.5949     0.146 
    47      47     0.6667     0.3333     0.1008
    48      48     0.0        0.0        0.2401
    49      49     0.6667     0.3333     0.036 
    50      50     0.3333     0.6667     0.1426
    51      51     0.3333     0.6667     0.196 
    52      52     0.3333     0.6667     0.9955
    53      53     0.3333     0.6667     0.341 
    54      54     0.24       0.62       0.0009
    55      55     0.24       0.62       0.0009
    56      56     0.602      0.204      0.9961
    57      57     0.602      0.204      0.9961
    58      58     0.6667     0.3333     0.123 
    59      59     0.0        0.0        0.252 
    60       1     0.8337     0.1662     0.1668
    61       1     0.8338     0.6675     0.1668
    62       2     0.7399     0.7398     0.0   
    63       2     0.2602     0.0001     0.0   
    64       3     0.737      0.263      0.2514
    65       3     0.737      0.474      0.2514
    66       4     0.3964     0.3908     0.0976
    67       4     0.6092     0.0056     0.0976
    68       5     0.5838     0.7919     0.077 
    69       5     0.2081     0.7919     0.077 
    70       6     0.4587     0.5414     0.2585
    71       6     0.4586     0.9173     0.2585
    72       7     0.6733     0.7303     0.2369
    73       7     0.2697     0.943      0.2369
    74       8     0.9298     0.0702     0.0826
    75       8     0.9298     0.8596     0.0826
    76       9     0.7605     0.2395     0.2006
    77       9     0.7605     0.521      0.2006
    78      10     0.9666     0.2266     0.2085
    79      10     0.7734     0.74       0.2085
    80      11     0.6953     0.1014     0.1275
    81      11     0.8986     0.5939     0.1275
    82      12     0.6052     0.2104     0.2562
    83      12     0.7896     0.3948     0.2562
    84      13     0.7829     0.2171     0.2884
    85      13     0.7829     0.5658     0.2884
    86      14     0.9662     0.3776     0.0453
    87      14     0.6224     0.5886     0.0453
    88      15     0.6205     0.7216     0.1076
    89      15     0.2784     0.8989     0.1076
    90      16     0.4897     0.5104     0.115 
    91      16     0.4896     0.9793     0.115 
    92      17     0.452      0.726      0.0685
    93      17     0.274      0.726      0.0685
    94      18     0.6381     0.819      0.0287
    95      18     0.181      0.8191     0.0287
    96      19     0.4859     0.5141     0.3052
    97      19     0.4859     0.9718     0.3052
    98      20     0.6461     0.8226     0.2184
    99      20     0.1774     0.8235     0.2184
   100      21     0.6999     0.7442     0.2885
   101      21     0.2558     0.9557     0.2885
   102      22     0.5679     0.955      0.2271
   103      22     0.045      0.6129     0.2271
   104      23     0.3952     0.7904     0.2526
   105      23     0.2096     0.6048     0.2526
   106      24     0.8763     0.9381     0.0782
   107      24     0.0619     0.9382     0.0782
   108      25     0.9054     0.0945     0.1312
   109      25     0.9055     0.8109     0.1312
   110      26     0.887      0.113      0.0433
   111      26     0.887      0.774      0.0433
   112      27     0.493      0.9858     0.0017
   113      27     0.0142     0.5072     0.0017
   114      28     0.52       0.04       0.9977
   115      28     0.96       0.48       0.9977
   116      29     0.732      0.866      0.334 
   117      29     0.134      0.866      0.334 
   118      36     0.7744     0.8872     0.1523
   119      36     0.1128     0.8872     0.1523
   120      37     0.815      0.9075     0.162 
   121      37     0.0925     0.9075     0.162 
   122      38     0.5837     0.1676     0.1638
   123      38     0.8324     0.4161     0.1638
   124      39     0.5585     0.117      0.1785
   125      39     0.883      0.4415     0.1785
   126      40     0.5284     0.7642     0.9557
   127      40     0.2358     0.7642     0.9557
   128      41     0.8894     0.1114     0.2837
   129      41     0.8886     0.778      0.2837
   130      42     0.785      0.2142     0.0569
   131      42     0.7858     0.5708     0.0569
   132      43     0.7673     0.2326     0.0494
   133      43     0.7674     0.5347     0.0494
   134      44     0.7574     0.2424     0.045 
   135      44     0.7576     0.515      0.045 
   136      45     0.498      0.7492     0.1733
   137      45     0.2508     0.7488     0.1733
   138      46     0.4051     0.5948     0.146 
   139      46     0.4052     0.8103     0.146 
   140      54     0.38       0.62       0.0009
   141      54     0.38       0.76       0.0009
   142      55     0.38       0.62       0.0009
   143      55     0.38       0.76       0.0009
   144      56     0.796      0.398      0.9961
   145      56     0.602      0.398      0.9961
   146      57     0.796      0.398      0.9961
   147      57     0.602      0.398      0.9961
   148       1     0.5004     0.4995     0.5001
   149       1     0.1671     0.3342     0.8335
   150       2     0.4066     0.0731     0.3333
   151       2     0.5935     0.6668     0.6667
   152       3     0.4037     0.5963     0.5847
   153       3     0.0703     0.1407     0.9181
   154       4     0.0631     0.7241     0.4309
   155       4     0.9425     0.6723     0.7643
   156       5     0.2505     0.1252     0.4103
   157       5     0.5414     0.4586     0.7437
   158       6     0.1254     0.8747     0.5918
   159       6     0.7919     0.584      0.9252
   160       7     0.34       0.0636     0.5702
   161       7     0.603      0.6097     0.9036
   162       8     0.5965     0.4035     0.4159
   163       8     0.2631     0.5263     0.7493
   164       9     0.4272     0.5728     0.5339
   165       9     0.0938     0.1877     0.8673
   166      10     0.6333     0.5599     0.5418
   167      10     0.1067     0.4067     0.8752
   168      11     0.362      0.4347     0.4608
   169      11     0.2319     0.2606     0.7942
   170      12     0.2719     0.5437     0.5895
   171      12     0.1229     0.0615     0.9229
   172      13     0.4496     0.5504     0.6217
   173      13     0.1162     0.2325     0.9551
   174      14     0.6329     0.7109     0.3786
   175      14     0.9557     0.2553     0.712 
   176      15     0.2872     0.0549     0.4409
   177      15     0.6117     0.5656     0.7743
   178      16     0.1564     0.8437     0.4483
   179      16     0.8229     0.646      0.7817
   180      17     0.1187     0.0593     0.4018
   181      17     0.6073     0.3927     0.7352
   182      18     0.3048     0.1523     0.362 
   183      18     0.5143     0.4858     0.6954
   184      19     0.1526     0.8474     0.6385
   185      19     0.8192     0.6385     0.9719
   186      20     0.3128     0.1559     0.5517
   187      20     0.5107     0.4902     0.8851
   188      21     0.3666     0.0775     0.6218
   189      21     0.5891     0.6224     0.9552
   190      22     0.2346     0.2883     0.5604
   191      22     0.3783     0.2796     0.8938
   192      23     0.0619     0.1237     0.5859
   193      23     0.5429     0.2715     0.9193
   194      24     0.543      0.2714     0.4115
   195      24     0.3952     0.6049     0.7449
   196      25     0.5721     0.4278     0.4645
   197      25     0.2388     0.4776     0.7979
   198      26     0.5537     0.4463     0.3766
   199      26     0.2203     0.4407     0.71  
   200      27     0.1597     0.3191     0.335 
   201      27     0.3475     0.1739     0.6684
   202      28     0.1867     0.3733     0.331 
   203      28     0.2933     0.1467     0.6644
   204      29     0.3987     0.1993     0.6673
   205      29     0.4673     0.5327     0.0007
   206      30     0.0        0.0        0.5787
   207      30     0.6667     0.3333     0.9121
   208      31     0.0        0.0        0.6172
   209      31     0.6667     0.3333     0.9506
   210      32     0.0        0.0        0.6299
   211      32     0.6667     0.3333     0.9633
   212      33     0.0        0.0        0.3762
   213      33     0.6667     0.3333     0.7096
   214      34     0.0        0.0        0.3851
   215      34     0.6667     0.3333     0.7185
   216      35     0.0        0.0        0.4233
   217      35     0.6667     0.3333     0.7567
   218      36     0.4411     0.2205     0.4856
   219      36     0.4461     0.5539     0.819 
   220      37     0.4817     0.2408     0.4953
   221      37     0.4258     0.5742     0.8287
   222      38     0.2504     0.5009     0.4971
   223      38     0.1657     0.0828     0.8305
   224      39     0.2252     0.4503     0.5118
   225      39     0.2163     0.1082     0.8452
   226      40     0.1951     0.0975     0.289 
   227      40     0.5691     0.4309     0.6224
   228      41     0.5561     0.4447     0.617 
   229      41     0.2219     0.4447     0.9504
   230      42     0.4517     0.5475     0.3902
   231      42     0.1191     0.2375     0.7236
   232      43     0.434      0.5659     0.3827
   233      43     0.1007     0.2014     0.7161
   234      44     0.4241     0.5757     0.3783
   235      44     0.0909     0.1817     0.7117
   236      45     0.1647     0.0825     0.5066
   237      45     0.5841     0.4155     0.84  
   238      46     0.0718     0.9281     0.4793
   239      46     0.7385     0.477      0.8127
   240      47     0.3333     0.6667     0.4341
   241      47     0.0        0.0        0.7675
   242      48     0.6667     0.3333     0.5734
   243      48     0.3333     0.6667     0.9068
   244      49     0.3333     0.6667     0.3693
   245      49     0.0        0.0        0.7027
   246      50     0.0        0.0        0.4759
   247      50     0.6667     0.3333     0.8093
   248      51     0.0        0.0        0.5293
   249      51     0.6667     0.3333     0.8627
   250      52     0.0        0.0        0.3288
   251      52     0.6667     0.3333     0.6622
   252      53     0.0        0.0        0.6743
   253      53     0.6667     0.3333     0.0077
   254      54     0.0467     0.9533     0.3342
   255      54     0.7133     0.4267     0.6676
   256      55     0.0467     0.9533     0.3342
   257      55     0.7133     0.4267     0.6676
   258      56     0.4627     0.7313     0.3294
   259      56     0.9353     0.0647     0.6628
   260      57     0.4627     0.7313     0.3294
   261      57     0.9353     0.0647     0.6628
   262      58     0.3333     0.6667     0.4563
   263      58     0.0        0.0        0.7897
   264      59     0.6667     0.3333     0.5853
   265      59     0.3333     0.6667     0.9187
   266       1     0.5005     0.0008     0.5001
   267       1     0.6658     0.833      0.8335
   268       1     0.9992     0.4996     0.5001
   269       1     0.167      0.8328     0.8335
   270       2     0.9269     0.3334     0.3333
   271       2     0.3332     0.9268     0.6667
   272       2     0.6666     0.5934     0.3333
   273       2     0.0732     0.4064     0.6667
   274       3     0.4037     0.8073     0.5847
   275       3     0.8593     0.9297     0.9181
   276       3     0.1927     0.5963     0.5847
   277       3     0.0703     0.9297     0.9181
   278       4     0.2759     0.3389     0.4309
   279       4     0.3277     0.2703     0.7643
   280       4     0.6611     0.9369     0.4309
   281       4     0.7297     0.0574     0.7643
   282       5     0.8748     0.1252     0.4103
   283       5     0.5414     0.0829     0.7437
   284       5     0.8748     0.7495     0.4103
   285       5     0.9171     0.4585     0.7437
   286       6     0.1253     0.2506     0.5918
   287       6     0.416      0.208      0.9252
   288       6     0.7494     0.8746     0.5918
   289       6     0.792      0.208      0.9252
   290       7     0.9364     0.2763     0.5702
   291       7     0.3903     0.9934     0.9036
   292       7     0.7237     0.66       0.5702
   293       7     0.0066     0.3969     0.9036
   294       8     0.5965     0.1929     0.4159
   295       8     0.4737     0.7369     0.7493
   296       8     0.8071     0.4035     0.4159
   297       8     0.2631     0.7369     0.7493
   298       9     0.4272     0.8543     0.5339
   299       9     0.8123     0.9062     0.8673
   300       9     0.1457     0.5728     0.5339
   301       9     0.0938     0.9061     0.8673
   302      10     0.4401     0.0733     0.5418
   303      10     0.5933     0.7001     0.8752
   304      10     0.9267     0.3667     0.5418
   305      10     0.2999     0.8932     0.8752
   306      11     0.5653     0.9272     0.4608
   307      11     0.7394     0.9714     0.7942
   308      11     0.0728     0.638      0.4608
   309      11     0.0286     0.7681     0.7942
   310      12     0.4563     0.7281     0.5895
   311      12     0.9385     0.0615     0.9229
   312      12     0.2719     0.7281     0.5895
   313      12     0.9385     0.877      0.9229
   314      13     0.4496     0.8991     0.6217
   315      13     0.7675     0.8838     0.9551
   316      13     0.1009     0.5504     0.6217
   317      13     0.1162     0.8837     0.9551
   318      14     0.2891     0.9219     0.3786
   319      14     0.7447     0.7005     0.712 
   320      14     0.0781     0.3671     0.3786
   321      14     0.2995     0.0442     0.712 
   322      15     0.9451     0.2322     0.4409
   323      15     0.4344     0.0462     0.7743
   324      15     0.7678     0.7128     0.4409
   325      15     0.9538     0.3883     0.7743
   326      16     0.1563     0.3126     0.4483
   327      16     0.354      0.177      0.7817
   328      16     0.6874     0.8436     0.4483
   329      16     0.823      0.1771     0.7817
   330      17     0.9407     0.0593     0.4018
   331      17     0.6073     0.2147     0.7352
   332      17     0.9407     0.8813     0.4018
   333      17     0.7853     0.3927     0.7352
   334      18     0.8477     0.1524     0.362 
   335      18     0.5142     0.0286     0.6954
   336      18     0.8476     0.6952     0.362 
   337      18     0.9714     0.4857     0.6954
   338      19     0.1526     0.3051     0.6385
   339      19     0.3615     0.1808     0.9719
   340      19     0.6949     0.8474     0.6385
   341      19     0.8192     0.1807     0.9719
   342      20     0.8441     0.1568     0.5517
   343      20     0.5098     0.0206     0.8851
   344      20     0.8432     0.6872     0.5517
   345      20     0.9794     0.4892     0.8851
   346      21     0.9225     0.289      0.6218
   347      21     0.3776     0.9668     0.9552
   348      21     0.711      0.6334     0.6218
   349      21     0.0332     0.4108     0.9552
   350      22     0.7117     0.9462     0.5604
   351      22     0.7204     0.0988     0.8938
   352      22     0.0538     0.7654     0.5604
   353      22     0.9012     0.6216     0.8938
   354      23     0.8763     0.9381     0.5859
   355      23     0.7285     0.2715     0.9193
   356      23     0.0619     0.9381     0.5859
   357      23     0.7285     0.4571     0.9193
   358      24     0.7286     0.2715     0.4115
   359      24     0.3951     0.7904     0.7449
   360      24     0.7285     0.457      0.4115
   361      24     0.2096     0.6047     0.7449
   362      25     0.5722     0.1442     0.4645
   363      25     0.5224     0.7613     0.7979
   364      25     0.8558     0.4279     0.4645
   365      25     0.2387     0.7612     0.7979
   366      26     0.5537     0.1073     0.3766
   367      26     0.5593     0.7797     0.71  
   368      26     0.8927     0.4463     0.3766
   369      26     0.2203     0.7796     0.71  
   370      27     0.6809     0.8405     0.335 
   371      27     0.8261     0.1737     0.6684
   372      27     0.1595     0.8403     0.335 
   373      27     0.8263     0.6524     0.6684
   374      28     0.6267     0.8133     0.331 
   375      28     0.8533     0.1467     0.6644
   376      28     0.1867     0.8133     0.331 
   377      28     0.8533     0.7067     0.6644
   378      29     0.8007     0.1993     0.6673
   379      29     0.4673     0.9347     0.0007
   380      29     0.8007     0.6013     0.6673
   381      29     0.0653     0.5326     0.0007
   382      36     0.7795     0.2205     0.4856
   383      36     0.4461     0.8923     0.819 
   384      36     0.7795     0.5589     0.4856
   385      36     0.1077     0.5538     0.819 
   386      37     0.7592     0.2408     0.4953
   387      37     0.4258     0.8517     0.8287
   388      37     0.7592     0.5183     0.4953
   389      37     0.1483     0.5742     0.8287
   390      38     0.4991     0.7494     0.4971
   391      38     0.9172     0.083      0.8305
   392      38     0.2506     0.7496     0.4971
   393      38     0.917      0.8342     0.8305
   394      39     0.5497     0.7748     0.5118
   395      39     0.8918     0.1082     0.8452
   396      39     0.2252     0.7748     0.5118
   397      39     0.8918     0.7837     0.8452
   398      40     0.9025     0.0975     0.289 
   399      40     0.5691     0.1383     0.6224
   400      40     0.9025     0.8049     0.289 
   401      40     0.8617     0.4308     0.6224
   402      41     0.5553     0.1113     0.617 
   403      41     0.5553     0.7773     0.9504
   404      41     0.8887     0.4439     0.617 
   405      41     0.2227     0.7781     0.9504
   406      42     0.4525     0.9041     0.3902
   407      42     0.7625     0.8817     0.7236
   408      42     0.0959     0.5483     0.3902
   409      42     0.1183     0.8808     0.7236
   410      43     0.4341     0.868      0.3827
   411      43     0.7986     0.8994     0.7161
   412      43     0.132      0.566      0.3827
   413      43     0.1006     0.8992     0.7161
   414      44     0.4243     0.8483     0.3783
   415      44     0.8183     0.9093     0.7117
   416      44     0.1517     0.5759     0.3783
   417      44     0.0907     0.909      0.7117
   418      45     0.9175     0.0821     0.5066
   419      45     0.5845     0.1687     0.84  
   420      45     0.9179     0.8353     0.5066
   421      45     0.8313     0.4158     0.84  
   422      46     0.0719     0.1436     0.4793
   423      46     0.523      0.2616     0.8127
   424      46     0.8564     0.9282     0.4793
   425      46     0.7384     0.2614     0.8127
   426      54     0.0467     0.0933     0.3342
   427      54     0.5733     0.2867     0.6676
   428      54     0.9067     0.9533     0.3342
   429      54     0.7133     0.2866     0.6676
   430      55     0.0467     0.0933     0.3342
   431      55     0.5733     0.2867     0.6676
   432      55     0.9067     0.9533     0.3342
   433      55     0.7133     0.2866     0.6676
   434      56     0.2687     0.7313     0.3294
   435      56     0.9353     0.8707     0.6628
   436      56     0.2687     0.5373     0.3294
   437      56     0.1293     0.0646     0.6628
   438      57     0.2687     0.7313     0.3294
   439      57     0.9353     0.8707     0.6628
   440      57     0.2687     0.5373     0.3294
   441      57     0.1293     0.0646     0.6628
   442       2     0.0        0.7398     0.0   
   443       4     0.9944     0.3908     0.0976
   444       7     0.057      0.7303     0.2369
   445      10     0.26       0.2266     0.2085
   446      11     0.4061     0.1014     0.1275
   447      14     0.4114     0.3776     0.0453
   448      15     0.1011     0.7216     0.1076
   449      21     0.0443     0.7442     0.2885
   450      22     0.3871     0.955      0.2271
   451       2     0.7399     0.0001     0.0   
   452       2     0.2602     0.2601     0.0   
   453       4     0.3964     0.0056     0.0976
   454       4     0.6092     0.6036     0.0976
   455       7     0.6733     0.943      0.2369
   456       7     0.2697     0.3267     0.2369
   457      10     0.9666     0.74       0.2085
   458      10     0.7734     0.0334     0.2085
   459      11     0.6953     0.5939     0.1275
   460      11     0.8986     0.3047     0.1275
   461      14     0.9662     0.5886     0.0453
   462      14     0.6224     0.0338     0.0453
   463      15     0.6205     0.8989     0.1076
   464      15     0.2784     0.3795     0.1076
   465      21     0.6999     0.9557     0.2885
   466      21     0.2558     0.3001     0.2885
   467      22     0.5679     0.6129     0.2271
   468      22     0.045      0.4321     0.2271
   469       2     0.4066     0.3334     0.3333
   470       2     0.5935     0.9268     0.6667
   471       4     0.0631     0.3389     0.4309
   472       4     0.9425     0.2703     0.7643
   473       7     0.34       0.2763     0.5702
   474       7     0.603      0.9934     0.9036
   475      10     0.6333     0.0733     0.5418
   476      10     0.1067     0.7001     0.8752
   477      11     0.362      0.9272     0.4608
   478      11     0.2319     0.9714     0.7942
   479      14     0.6329     0.9219     0.3786
   480      14     0.9557     0.7005     0.712 
   481      15     0.2872     0.2322     0.4409
   482      15     0.6117     0.0462     0.7743
   483      21     0.3666     0.289      0.6218
   484      21     0.5891     0.9668     0.9552
   485      22     0.2346     0.9462     0.5604
   486      22     0.3783     0.0988     0.8938
   487       2     0.9269     0.5934     0.3333
   488       2     0.3332     0.4065     0.6667
   489       2     0.6666     0.0731     0.3333
   490       2     0.0732     0.6668     0.6667
   491       4     0.2759     0.9369     0.4309
   492       4     0.3277     0.0575     0.7643
   493       4     0.6611     0.7241     0.4309
   494       4     0.7297     0.6723     0.7643
   495       7     0.9364     0.66       0.5702
   496       7     0.3903     0.397      0.9036
   497       7     0.7237     0.0636     0.5702
   498       7     0.0066     0.6097     0.9036
   499      10     0.4401     0.3667     0.5418
   500      10     0.5933     0.8933     0.8752
   501      10     0.9267     0.5599     0.5418
   502      10     0.2999     0.4067     0.8752
   503      11     0.5653     0.638      0.4608
   504      11     0.7394     0.7681     0.7942
   505      11     0.0728     0.4347     0.4608
   506      11     0.0286     0.2606     0.7942
   507      14     0.2891     0.3671     0.3786
   508      14     0.7447     0.0443     0.712 
   509      14     0.0781     0.7109     0.3786
   510      14     0.2995     0.2553     0.712 
   511      15     0.9451     0.7128     0.4409
   512      15     0.4344     0.3883     0.7743
   513      15     0.7678     0.0549     0.4409
   514      15     0.9538     0.5656     0.7743
   515      21     0.9225     0.6334     0.6218
   516      21     0.3776     0.4109     0.9552
   517      21     0.711      0.0775     0.6218
   518      21     0.0332     0.6224     0.9552
   519      22     0.7117     0.7654     0.5604
   520      22     0.7204     0.6217     0.8938
   521      22     0.0538     0.2883     0.5604
   522      22     0.9012     0.2796     0.8938


X-ray density (g/cm cub.)   =      2.98

MU (1/cm) =     256.52     Mass attenuation coefficient (cm**2/g) =     86.22 

 Selected interatomic distances (cation-anion,anion-anion):

 NoP    Atom              Rad.sph.      C.N.    Distance     NoP N.
                           (angs.)               (angs.)

    1    Zr                  3.156        6
                                                 2.0739       9
                                                 2.0667      10
                                                 2.0781      11
                                                 2.0682      25
                                                 2.0657      10
                                                 2.0791      11
    2    Ca                  3.42         7
                                                 2.3993      18
                                                 2.3863      14
                                                 2.3036      26
                                                 2.3202      13
                                                 3.4192      12
                                                 2.3893      19
                                                 2.3747      21
    3    Si                  2.64         4
                                                 1.636        9
                                                 1.643       12
                                                 1.5885      13
                                                 1.6431      12
    4    Si                  2.64         4
                                                 1.6365      16
                                                 1.5819      11
                                                 1.6341      15
                                                 1.613       14
    5    Si                  2.64         4
                                                 1.6273      15
                                                 1.6456      17
                                                 1.6013      18
                                                 1.6273      15
    6    Si                  2.64         4
                                                 1.5587      19
                                                 1.6642      22
                                                 1.5753      23
                                                 1.6631      22
    7    Si                  2.64         4
                                                 1.6424      20
                                                 1.5882      21
                                                 1.6082      10
                                                 1.6206      22
    8    Si                  2.64         4
                                                 1.6444      24
                                                 1.582       25
                                                 1.586       26
                                                 1.6431      24
    9    O                   3.804       11
                                                 3.0406      10
                                                 2.7839      11
                                                 2.6364      12
                                                 2.7012      13
                                                 3.6693      22
                                                 3.7934      47
                                                 3.2892      58
                                                 2.6364      12
                                                 3.0406      10
                                                 2.7839      11
                                                 3.6693      22
   10    O                   3.804       11
                                                 3.0406       9
                                                 3.5069      13
                                                 2.8422      25
                                                 3.6169      48
                                                 3.7272      59
                                                 3.6705      15
                                                 2.6254      20
                                                 2.6393      21
                                                 2.7515      10
                                                 3.0335      11
                                                 2.6188      22
   11    O                   3.804       11
                                                 2.7839       9
                                                 3.585       22
                                                 3.0446      25
                                                 3.6687      26
                                                 3.6154      47
                                                 3.5275      58
                                                 2.5793      16
                                                 3.0335      10
                                                 2.8954      11
                                                 2.6707      14
                                                 2.5959      15
   12    O                   3.804        9
                                                 2.6364       9
                                                 2.667       13
                                                 3.514       22
                                                 2.6364       9
                                                 2.6263      12
                                                 2.6263      12
                                                 2.667       13
                                                 3.292       19
                                                 3.5141      22
   13    O                   3.804        8
                                                 2.7012       9
                                                 3.5069      10
                                                 2.667       12
                                                 2.667       12
                                                 3.2948      21
                                                 2.7323      18
                                                 3.5069      10
                                                 3.2948      21
   14    O                   3.804       10
                                                 3.3505      26
                                                 2.9765      56
                                                 2.9765      57
                                                 2.6757      15
                                                 2.6671      16
                                                 3.2145      18
                                                 3.3561      19
                                                 2.8376      21
                                                 2.6707      11
                                                 3.0051      14
   15    O                   3.804       10
                                                 2.6389      16
                                                 2.7018      17
                                                 2.699       18
                                                 3.5792      20
                                                 3.5114      24
                                                 3.6705      10
                                                 2.6757      14
                                                 3.6655      25
                                                 2.5958      11
                                                 2.5251      15
   16    O                   3.804       10
                                                 2.6389      15
                                                 3.6505      17
                                                 2.5793      11
                                                 2.6671      14
                                                 3.651       17
                                                 3.6256      22
                                                 2.6402      15
                                                 2.5782      11
                                                 2.6679      14
                                                 3.6251      22
   17    O                   3.804       15
                                                 2.7018      15
                                                 3.6505      16
                                                 2.5894      18
                                                 2.6687      50
                                                 2.641       52
                                                 2.4345      54
                                                 2.4345      55
                                                 3.651       16
                                                 2.535       17
                                                 2.535       17
                                                 2.4345      54
                                                 3.3138      54
                                                 2.4345      55
                                                 3.3138      55
                                                 2.7017      15
   18    O                   3.804       13
                                                 2.699       15
                                                 2.5894      17
                                                 3.2944      24
                                                 3.439       54
                                                 3.439       55
                                                 3.2145      14
                                                 3.4394      54
                                                 3.4394      55
                                                 2.7325      13
                                                 3.3586      21
                                                 3.2159      14
                                                 2.6997      15
                                                 3.3595      21
   19    O                   3.804       13
                                                 3.2083      21
                                                 3.292       12
                                                 2.6892      22
                                                 2.7414      23
                                                 3.3557      14
                                                 2.7243      26
                                                 3.3523      56
                                                 3.3521      56
                                                 3.3523      57
                                                 3.3521      57
                                                 3.2083      21
                                                 2.6892      22
                                                 3.3557      14
   20    O                   3.804       10
                                                 3.5792      15
                                                 2.6731      21
                                                 2.639       22
                                                 3.5214      23
                                                 2.6253      10
                                                 3.5166      23
                                                 2.6355      10
                                                 3.5838      15
                                                 2.6804      21
                                                 2.6272      22
   21    O                   3.804       12
                                                 3.2083      19
                                                 2.6731      20
                                                 2.6393      10
                                                 3.2948      13
                                                 2.8374      14
                                                 3.3584      18
                                                 3.2662      54
                                                 3.2662      55
                                                 3.5141      56
                                                 3.5141      57
                                                 3.0122      21
                                                 2.6334      22
   22    O                   3.804       10
                                                 3.6693       9
                                                 3.585       11
                                                 3.514       12
                                                 2.639       20
                                                 2.5236      23
                                                 3.6256      16
                                                 2.6892      19
                                                 2.6188      10
                                                 2.6332      21
                                                 2.575       22
   23    O                   3.804       14
                                                 3.5214      20
                                                 2.5236      22
                                                 3.6472      50
                                                 2.2879      51
                                                 3.0686      53
                                                 2.7414      19
                                                 3.5166      20
                                                 2.6431      23
                                                 2.6431      23
                                                 2.7914      56
                                                 2.7914      57
                                                 2.7915      56
                                                 2.7915      57
                                                 2.5236      22
   24    O                   3.804        9
                                                 3.5114      15
                                                 3.2944      18
                                                 2.5995      25
                                                 2.6368      26
                                                 2.6426      24
                                                 2.6426      24
                                                 2.5991      25
                                                 2.6354      26
                                                 3.512       15
   25    O                   3.804        9
                                                 2.8422      10
                                                 3.0446      11
                                                 2.5995      24
                                                 2.6859      26
                                                 3.6655      15
                                                 2.5991      24
                                                 2.8415      10
                                                 3.0452      11
                                                 3.6642      15
   26    O                   3.804        8
                                                 3.6687      11
                                                 3.3505      14
                                                 2.6368      24
                                                 2.6859      25
                                                 2.6354      24
                                                 2.7244      19
                                                 3.6687      11
                                                 3.3505      14
   27   Mn   ,Mn             3.264        8
                                                 2.0824      14
                                                 2.7849      54
                                                 2.7849      55
                                                 2.6966      56
                                                 2.6966      57
                                                 2.0716      21
                                                 2.0803      14
                                                 2.0697      21
   28   Fe   ,Fe             3.132        6
                                                 2.0781      14
                                                 2.0234      56
                                                 2.0234      57
                                                 2.1737      21
                                                 2.078       14
                                                 2.1739      21
   29   Na   ,Na             3.348        9
                                                 2.0742      21
                                                 3.3091      52
                                                 2.3579      14
                                                 2.1542      54
                                                 2.1542      55
                                                 3.3248      56
                                                 3.3248      57
                                                 2.0743      21
                                                 2.3577      14
   30   Si   ,Si             2.64         4
                                                 1.5415      23
                                                 1.4876      51
                                                 1.5413      23
                                                 1.5413      23
   31   Al   ,Al             2.856       12
                                                 1.7938      23
                                                 2.647       51
                                                 1.7195      53
                                                 1.7936      23
                                                 1.7936      23
                                                 2.5727      49
                                                 2.1034      56
                                                 2.1034      57
                                                 2.1034      56
                                                 2.1034      56
                                                 2.1034      57
                                                 2.1034      57
   32   Nb   ,Zr             3.156       12
                                                 2.0211      23
                                                 3.0295      51
                                                 1.3371      53
                                                 2.0209      23
                                                 2.0209      23
                                                 2.1902      49
                                                 1.8767      56
                                                 1.8767      57
                                                 1.8767      56
                                                 1.8767      56
                                                 1.8767      57
                                                 1.8767      57
   33    Ti                  3.108       11
                                                 1.6543      17
                                                 3.0024      50
                                                 1.4274      52
                                                 1.7102      54
                                                 1.7102      55
                                                 1.6543      17
                                                 1.654       17
                                                 1.7104      54
                                                 1.7102      54
                                                 1.7104      55
                                                 1.7102      55
   34   Si   ,Si             2.64        10
                                                 1.5476      17
                                                 1.6954      52
                                                 1.9169      54
                                                 1.9169      55
                                                 1.5476      17
                                                 1.5474      17
                                                 1.9171      54
                                                 1.9169      54
                                                 1.9171      55
                                                 1.9169      55
   35   Si   ,Si             2.64         4
                                                 1.6005      17
                                                 1.584       50
                                                 1.6005      17
                                                 1.6002      17
   36   Na   ,Na             3.348        8
                                                 2.6475      15
                                                 2.5429      20
                                                 2.5611      24
                                                 2.6632      25
                                                 2.6887      10
                                                 2.6645      25
                                                 2.6888      10
                                                 2.6476      15
   37   Na   ,Na             3.348        9
                                                 3.1674      15
                                                 2.6878      20
                                                 2.6344      24
                                                 2.4863      25
                                                 3.2769      48
                                                 2.5669      10
                                                 2.4874      25
                                                 2.5669      10
                                                 3.1675      15
   38   Na   ,Na             3.348        8
                                                 2.4573       9
                                                 2.4715      11
                                                 2.8322      12
                                                 2.7889      47
                                                 2.385       58
                                                 2.4551       9
                                                 2.7482      16
                                                 2.4693      11
   39   Na   ,Na             3.348        9
                                                 2.5969       9
                                                 2.5762      11
                                                 2.6081      12
                                                 2.7914      22
                                                 3.1485      58
                                                 2.597        9
                                                 2.5575      16
                                                 2.5763      11
                                                 2.7915      22
   40   Na   ,K              3.768       14
                                                 3.5252      17
                                                 2.5813      18
                                                 2.688       52
                                                 2.4893      54
                                                 2.4893      55
                                                 2.4893      54
                                                 2.4893      55
                                                 2.9012      10
                                                 2.9496      13
                                                 2.8214      48
                                                 2.6518      59
                                                 2.5645      21
                                                 2.901       10
                                                 2.5642      21
   41   Na   ,Na             3.348       13
                                                 2.688       10
                                                 2.6211      13
                                                 3.0366      48
                                                 2.8997      59
                                                 2.4863      21
                                                 2.5702      18
                                                 3.0568      52
                                                 2.824       54
                                                 2.824       55
                                                 2.8279      54
                                                 2.8279      55
                                                 2.6938      10
                                                 2.4975      21
   42   Na   ,Na             3.348       13
                                                 2.5847      11
                                                 2.4883      14
                                                 2.5395      26
                                                 3.2134      47
                                                 2.9958      49
                                                 3.1335      56
                                                 3.1335      57
                                                 3.1285      56
                                                 3.1285      57
                                                 3.2829      53
                                                 2.6935      19
                                                 2.5911      11
                                                 2.4771      14
   43   Sr   ,Ce             3.612       14
                                                 2.8563      11
                                                 2.5405      14
                                                 2.9572      26
                                                 2.9265      47
                                                 2.5162      49
                                                 2.7073      56
                                                 2.7073      57
                                                 3.3288      58
                                                 2.7066      56
                                                 2.7066      57
                                                 2.7836      53
                                                 2.6629      19
                                                 2.857       11
                                                 2.5391      14
   44   Na   ,Na             3.348       14
                                                 3.035       11
                                                 2.6124      14
                                                 3.1949      26
                                                 2.8008      47
                                                 2.257       49
                                                 2.4826      56
                                                 2.4826      57
                                                 3.2462      58
                                                 2.481       56
                                                 2.481       57
                                                 2.507       53
                                                 2.6778      19
                                                 3.0363      11
                                                 2.6097      14
   45   Na   ,Na             3.348       10
                                                 2.7926      15
                                                 3.2066      17
                                                 2.2762      20
                                                 3.0477      22
                                                 3.0083      23
                                                 2.2315      50
                                                 2.143       51
                                                 3.0107      23
                                                 2.79        15
                                                 3.0522      22
   46   Na   ,Na             3.348       10
                                                 2.9102      15
                                                 2.2839      16
                                                 2.8524      17
                                                 1.7745      50
                                                 2.3249      51
                                                 2.8518      17
                                                 3.2871      22
                                                 3.2196      23
                                                 2.909       15
                                                 3.2876      22
   47   Cl   ,Cl             4.344       24
                                                 3.7934       9
                                                 3.6154      11
                                                 4.3243      14
                                                 1.9514      49
                                                 3.5335      56
                                                 3.5335      57
                                                 0.6685      58
                                                 3.7934       9
                                                 3.7934       9
                                                 3.6154      11
                                                 3.6154      11
                                                 4.3243      14
                                                 4.3243      14
                                                 3.5335      56
                                                 3.5335      56
                                                 3.5335      57
                                                 3.5335      57
                                                 2.8048      53
                                                 3.6153      11
                                                 4.3243      14
                                                 3.6155      11
                                                 3.6153      11
                                                 4.3243      14
                                                 4.3241      14
   48   Cl   ,Cl             4.344       23
                                                 3.6169      10
                                                 4.2536      21
                                                 4.0242      25
                                                 0.3584      59
                                                 3.6167      10
                                                 3.6168      10
                                                 4.2536      21
                                                 4.2537      21
                                                 4.0242      25
                                                 4.0242      25
                                                 2.672       52
                                                 3.0595      54
                                                 3.0595      55
                                                 3.0595      54
                                                 3.0595      54
                                                 3.0595      55
                                                 3.0595      55
                                                 3.6169      10
                                                 4.2536      21
                                                 3.6167      10
                                                 3.6168      10
                                                 4.2536      21
                                                 4.2537      21
   49   F    ,F              3.768        9
                                                 1.9514      47
                                                 1.997       56
                                                 1.997       57
                                                 2.6199      58
                                                 1.997       56
                                                 1.997       56
                                                 1.997       57
                                                 1.997       57
                                                 0.8534      53
   50   OH   ,OH             3.852        7
                                                 2.6687      17
                                                 3.6472      23
                                                 1.6081      51
                                                 2.6687      17
                                                 2.6685      17
                                                 3.6471      23
                                                 3.6471      23
   51   OH   ,OH             3.852        4
                                                 2.2879      23
                                                 1.6081      50
                                                 2.2877      23
                                                 2.2877      23
   52   OH   ,OH             3.852       11
                                                 2.641       17
                                                 1.1625      54
                                                 1.1625      55
                                                 2.641       17
                                                 2.6409      17
                                                 1.1628      54
                                                 1.1625      54
                                                 1.1628      55
                                                 1.1625      55
                                                 2.6723      48
                                                 2.314       59
   53   OH   ,OH             3.852       12
                                                 3.0686      23
                                                 3.0684      23
                                                 3.0684      23
                                                 2.8045      47
                                                 0.8531      49
                                                 1.6327      56
                                                 1.6327      57
                                                 3.4731      58
                                                 1.6327      56
                                                 1.6327      56
                                                 1.6327      57
                                                 1.6327      57
   54   H(2)O,H(2)O          3.972       16
                                                 2.4345      17
                                                 3.439       18
                                                 1.1625      52
                                                 3.9306      14
                                                 3.3138      17
                                                 2.4345      17
                                                 3.4394      18
                                                 1.9939      54
                                                 1.9939      54
                                                 1.9939      55
                                                 1.9939      55
                                                 3.0597      48
                                                 2.731       59
                                                 3.2666      21
                                                 3.9306      14
                                                 3.2666      21
   55   H(2)O,H(2)O          3.972       16
                                                 2.4345      17
                                                 3.439       18
                                                 1.1625      52
                                                 3.9306      14
                                                 3.3138      17
                                                 2.4345      17
                                                 3.4394      18
                                                 1.9939      54
                                                 1.9939      54
                                                 1.9939      55
                                                 1.9939      55
                                                 3.0597      48
                                                 2.731       59
                                                 3.2666      21
                                                 3.9306      14
                                                 3.2666      21
   56   H(2)O,H(2)O          3.972       16
                                                 2.9765      14
                                                 3.5335      47
                                                 1.997       49
                                                 2.7628      56
                                                 2.7628      56
                                                 2.7628      57
                                                 2.7628      57
                                                 2.7917      23
                                                 1.6327      53
                                                 3.3524      19
                                                 3.3522      19
                                                 3.5143      21
                                                 2.7916      23
                                                 3.8853      23
                                                 2.9764      14
                                                 3.5141      21
   57   H(2)O,H(2)O          3.972       16
                                                 2.9765      14
                                                 3.5335      47
                                                 1.997       49
                                                 2.7628      56
                                                 2.7628      56
                                                 2.7628      57
                                                 2.7628      57
                                                 2.7917      23
                                                 1.6327      53
                                                 3.3524      19
                                                 3.3522      19
                                                 3.5143      21
                                                 2.7916      23
                                                 3.8853      23
                                                 2.9764      14
                                                 3.5141      21
   58   H(2)O,H(2)O          3.972       12
                                                 3.2892       9
                                                 3.5275      11
                                                 0.6685      47
                                                 2.6199      49
                                                 3.2892       9
                                                 3.2892       9
                                                 3.5275      11
                                                 3.5275      11
                                                 3.4734      53
                                                 3.5274      11
                                                 3.5276      11
                                                 3.5274      11
   59   H(2)O,H(2)O          3.972       14
                                                 3.7272      10
                                                 0.3584      48
                                                 3.7271      10
                                                 3.7272      10
                                                 2.3137      52
                                                 2.7308      54
                                                 2.7308      55
                                                 2.7308      54
                                                 2.7308      54
                                                 2.7308      55
                                                 2.7308      55
                                                 3.7272      10
                                                 3.7271      10
                                                 3.7272      10

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   1   0   1  4.495   8.99    0.044  322.67    6       46.7       15.1
    2   0   0   3  5.112  10.224   0.05   248.91    2      170.0       51.4
    3   1   0  -2  5.379  10.758   0.052  224.6     6       54.3       14.2
    4   1   1   0  7.216  14.432   0.07   123.8     6      236.7      148.7
    5   1   0   4  8.001  16.002   0.078  100.28    6      364.7      286.1
    6   2   0  -1  8.514  17.028   0.083   88.3     6      224.5       95.4
    7   1   1   3  8.859  17.718   0.086   81.39   12      109.6       41.9
    8   2   0   2  9.017  18.035   0.088   78.48    6      389.4      255.2
    9   1   0  -5  9.513  19.026   0.092   70.3     6      146.8       32.5
   10   0   0   6 10.266  20.531   0.1     60.06    2      187.6       15.1
   11   2   0  -4 10.806  21.613   0.105   53.99    6       38.9        1.7
   12   2   1   1 11.196  22.391   0.109   50.16   12       47.3        4.8
   13   2   1  -2 11.587  23.174   0.112   46.69   12       69.4        9.7
   14   2   0   5 11.981  23.962   0.116   43.53    6      426.4      169.8
   15   3   0   0 12.566  25.132   0.122   39.39    6      197.6       33.0
   16   1   1   6 12.593  25.187   0.122   39.21   12      221.8       82.7
   17   1   0   7 12.721  25.442   0.123   38.38    6      119.4       11.7
   18   2   1   4 13.043  26.086   0.126   36.41   12      320.9      160.8
   19   3   0  -3 13.598  27.196   0.131   33.34    6       44.3        1.4
   20   3   0   3 13.598  27.196   0.131   33.34    6      431.0      132.8
   21   2   1  -5 14.042  28.084   0.136   31.14   12      110.6       16.3
   22   1   0  -8 14.385  28.77    0.139   29.58    6      282.7       50.7
   23   2   2   0 14.55   29.1     0.14    28.87    6      568.8      200.2
   24   2   0  -7 14.685  29.37    0.142   28.3     6      459.2      128.0
   25   3   1  -1 15.258  30.515   0.147   26.08   12      496.6      275.8
   26   2   2   3 15.459  30.919   0.149   25.35   12       72.3        5.7
   27   0   0   9 15.505  31.01    0.149   25.19    2      209.5        7.9
   28   3   1   2 15.554  31.107   0.15    25.02   12      256.1       70.4
   29   2   0   8 16.164  32.328   0.156   23.03    6      695.1      238.6
   30   3   0  -6 16.334  32.668   0.157   22.51    6      310.4       46.5
   31   3   0   6 16.334  32.668   0.157   22.51    6      270.4       35.3
   32   2   1   7 16.435  32.869   0.158   22.21   12      426.6      173.4
   33   3   1  -4 16.691  33.381   0.161   21.48   12       71.9        4.8
   34   4   0   1 16.954  33.908   0.163   20.76    6       45.7        0.9
   35   1   1   9 17.179  34.358   0.165   20.17   12      312.6       84.6
   36   4   0  -2 17.224  34.448   0.166   20.06    6      312.1       41.9
   37   3   1   5 17.5    35.001   0.168   19.38   12      789.4      517.8
   38   2   1  -8 17.783  35.566   0.171   18.71   12      193.7       30.1
   39   1   0  10 17.803  35.606   0.171   18.66    6       30.2        0.4
   40   2   2   6 17.94   35.879   0.172   18.35   12      351.0       96.9
   41   4   0   4 18.269  36.537   0.175   17.64    6     1141.9      493.1
   42   3   2   1 18.512  37.024   0.177   17.13   12       83.0        5.1
   43   3   2  -2 18.763  37.525   0.18    16.63   12      152.2       16.5
   44   4   0  -5 19.02   38.039   0.182   16.14    6      184.9       11.8
   45   2   0 -10 19.302  38.604   0.185   15.62    6      491.5       80.9
   46   4   1   0 19.411  38.821   0.186   15.43   12      215.4       30.7
   47   3   1  -7 19.516  39.032   0.187   15.24   12      337.1       74.3
   48   1   0 -11 19.553  39.106   0.187   15.18    6      108.3        3.8
   49   3   2   4 19.737  39.474   0.189   14.87   12      332.0       70.3
   50   4   1  -3 20.125  40.25    0.192   14.24   12      109.8        7.4
   51   4   1   3 20.125  40.25    0.192   14.24   12      102.3        6.4
   52   3   0  -9 20.161  40.323   0.193   14.18    6      705.1      151.2
   53   3   0   9 20.161  40.323   0.193   14.18    6      226.2       15.6
   54   3   2  -5 20.442  40.884   0.195   13.75   12       46.2        1.3
   55   3   1   8 20.69   41.381   0.198   13.38   12      212.0       25.8
   56   2   1  10 20.708  41.416   0.198   13.36   12      233.0       31.1
   57   0   0  12 20.881  41.762   0.199   13.11    2      589.8       32.6
   58   4   0   7 20.91   41.82    0.2     13.07    6      131.0        4.8
   59   2   0  11 20.945  41.89    0.2     13.02    6       56.3        0.9
   60   5   0  -1 21.335  42.67    0.203   12.5     6      430.9       49.8
   61   2   2   9 21.521  43.042   0.205   12.25   12      185.6       18.1
   62   5   0   2 21.558  43.116   0.205   12.21    6      106.9        3.0
   63   4   0  -8 22.023  44.046   0.21    11.64    6      454.4       51.5
   64   3   3   0 22.138  44.275   0.211   11.5     6      394.2       38.3
   65   4   1  -6 22.154  44.309   0.211   11.48   12      194.1       18.5
   66   4   1   6 22.154  44.309   0.211   11.48   12      129.8        8.3
   67   1   1  12 22.204  44.409   0.211   11.42   12       50.0        1.2
   68   3   2   7 22.232  44.464   0.212   11.39   12      123.9        7.5
   69   2   1 -11 22.265  44.531   0.212   11.35   12       85.5        3.6
   70   5   0  -4 22.431  44.862   0.213   11.16    6       35.8        0.3
   71   4   2  -1 22.637  45.274   0.215   10.94   12      363.4       61.9
   72   3   3   3 22.782  45.564   0.216   10.78   12      150.2       10.4
   73   4   2   2 22.85   45.7     0.217   10.71   12      161.6       12.0
   74   5   0   5 23.069  46.138   0.219   10.48    6       75.4        1.3
   75   1   0  13 23.134  46.268   0.22    10.41    6      227.0       11.5
   76   3   2  -8 23.295  46.589   0.221   10.25   12      187.5       15.5
   77   3   1 -10 23.311  46.622   0.221   10.23   12      186.1       15.2
   78   4   2  -4 23.686  47.371   0.225    9.87   12       72.4        2.2
   79   5   1   1 23.883  47.766   0.226    9.69   12      235.5       23.0
   80   5   1  -2 24.087  48.175   0.228    9.5    12      374.3       57.1
   81   4   2   5 24.298  48.596   0.23     9.31   12      256.0       26.2
   82   2   0 -13 24.36   48.72    0.231    9.26    6       99.9        2.0
   83   4   0  10 24.53   49.061   0.232    9.12    6      722.2      102.0
   84   3   3   6 24.636  49.271   0.233    9.03   12      179.1       12.4
   85   3   0 -12 24.682  49.364   0.233    8.99    6      147.6        4.2
   86   3   0  12 24.682  49.364   0.233    8.99    6       62.6        0.8
   87   5   0  -7 24.707  49.415   0.234    8.97    6      304.4       17.8
   88   3   1  11 24.738  49.476   0.234    8.94   12      319.2       39.1
   89   5   1   4 24.891  49.783   0.235    8.82   12      381.7       55.1
   90   1   0 -14 24.968  49.935   0.236    8.76    6      377.5       26.8
   91   4   1  -9 25.246  50.492   0.238    8.54   12      163.4        9.8
   92   4   1   9 25.246  50.492   0.238    8.54   12       29.7        0.3
   93   5   1  -5 25.482  50.964   0.24     8.36   12      202.9       14.8
   94   2   1  13 25.542  51.084   0.241    8.31   12       55.5        1.1
   95   5   0   8 25.692  51.383   0.242    8.2     6      101.6        1.8
   96   3   2  10 25.707  51.413   0.242    8.19   12      331.9       38.7
   97   6   0   0 25.793  51.587   0.243    8.13    6       94.0        1.5
   98   2   2  12 25.853  51.706   0.244    8.09   12      217.9       16.5
   99   4   2  -7 25.878  51.755   0.244    8.07   12      285.5       28.2
  100   4   0 -11 25.907  51.815   0.244    8.05    6      111.3        2.1
  101   2   0  14 26.129  52.259   0.246    7.89    6      127.3        2.7
  102   4   3   1 26.24   52.48    0.247    7.82   12      197.2       13.0
  103   6   0  -3 26.369  52.739   0.248    7.73    6      315.6       16.5
  104   6   0   3 26.369  52.739   0.248    7.73    6       84.0        1.2
  105   4   3  -2 26.43   52.861   0.249    7.69   12      175.3       10.1
  106   0   0  15 26.457  52.915   0.249    7.67    2      225.2        2.8
  107   4   2   8 26.831  53.662   0.252    7.43   12      652.0      135.5
  108   5   2   0 26.93   53.859   0.253    7.37   12       67.0        1.4
  109   5   1   7 27.011  54.023   0.254    7.32   12      182.7       10.5
  110   3   2 -11 27.04   54.08    0.254    7.3    12      131.6        5.4
  111   4   3   4 27.184  54.368   0.255    7.21   12      169.3        8.9
  112   2   1 -14 27.256  54.512   0.256    7.17   12      192.7       11.4
  113   5   2  -3 27.489  54.978   0.258    7.03   12      160.3        7.8
  114   5   2   3 27.489  54.978   0.258    7.03   12       28.7        0.2
  115   3   3   9 27.517  55.035   0.258    7.02   12      421.2       53.4
  116   1   1  15 27.574  55.149   0.259    6.98   12      184.1       10.2
  117   4   3  -5 27.74   55.48    0.26     6.89   12      112.1        3.7
  118   3   1 -13 27.797  55.593   0.261    6.86   12      287.0       24.2
  119   5   1  -8 27.938  55.875   0.262    6.78   12      132.5        5.1
  120   5   0 -10 27.952  55.903   0.262    6.77    6       44.9        0.3
  121   6   0  -6 28.048  56.096   0.263    6.72    6      330.9       15.8
  122   6   0   6 28.048  56.096   0.263    6.72    6      583.1       49.0
  123   6   1  -1 28.456  56.912   0.266    6.5    12      289.3       23.3
  124   6   1   2 28.636  57.273   0.268    6.41   12      188.8        9.8
  125   1   0  16 28.733  57.467   0.269    6.36    6      310.4       13.1
  126   4   0  13 28.878  57.757   0.27     6.29    6       64.3        0.6
  127   4   2 -10 29.03   58.06    0.271    6.22   12      319.1       27.2
  128   5   2  -6 29.124  58.247   0.272    6.17   12      406.2       43.7
  129   5   2   6 29.124  58.247   0.272    6.17   12      205.3       11.2
  130   4   1 -12 29.165  58.33    0.272    6.15   12      288.8       22.0
  131   4   1  12 29.165  58.33    0.272    6.15   12      330.1       28.8
  132   4   3   7 29.188  58.375   0.273    6.14   12      233.3       14.3
  133   5   0  11 29.215  58.43    0.273    6.13    6      150.9        3.0
  134   6   1  -4 29.352  58.704   0.274    6.06   12      197.3       10.1
  135   3   1  14 29.42   58.84    0.275    6.03   12       91.7        2.2
  136   3   0 -15 29.724  59.447   0.277    5.89    6      307.4       11.9
  137   3   0  15 29.724  59.447   0.277    5.89    6       20.6        0.1
  138   2   0 -16 29.794  59.587   0.278    5.86    6      347.6       15.2
  139   6   1   5 29.881  59.762   0.278    5.82   12      249.9       15.6
  140   3   2  13 29.935  59.871   0.279    5.8    12      134.0        4.5
  141   4   3  -8 30.07   60.14    0.28     5.74   12       88.0        1.9
  142   5   1  10 30.083  60.167   0.28     5.74   12      323.2       25.7
  143   4   4   0 30.162  60.323   0.281    5.7     6     1104.0      149.1
  144   4   2  11 30.265  60.529   0.282    5.66   12      371.3       33.5
  145   4   0 -14 30.465  60.93    0.283    5.58    6      698.9       58.4
  146   5   3  -1 30.565  61.13    0.284    5.54   12      268.1       17.1
  147   7   0   1 30.565  61.13    0.284    5.54    6       91.7        1.0
  148   1   0 -17 30.672  61.343   0.285    5.5     6       51.1        0.3
  149   4   4   3 30.683  61.365   0.285    5.49   12       48.1        0.5
  150   6   0  -9 30.709  61.418   0.285    5.48    6       66.7        0.5
  151   6   0   9 30.709  61.418   0.285    5.48    6      181.4        3.9
  152   5   3   2 30.738  61.476   0.286    5.47   12      151.2        5.4
  153   7   0  -2 30.738  61.476   0.286    5.47    6       50.1        0.3
  154   2   2  15 30.762  61.525   0.286    5.46   12      296.2       20.5
  155   2   1  16 30.831  61.662   0.286    5.43   12       50.1        0.6
  156   3   3  12 31.245  62.489   0.29     5.28   12      236.0       12.6
  157   6   1  -7 31.266  62.533   0.29     5.27   12       30.1        0.2
  158   5   1 -11 31.293  62.586   0.29     5.26   12       64.7        0.9
  159   5   3  -4 31.424  62.848   0.291    5.21   12      166.3        6.2
  160   7   0   4 31.424  62.848   0.291    5.21    6      397.8       17.7
  161   3   2 -14 31.49   62.979   0.292    5.19   12      325.9       23.6
  162   6   2   1 31.588  63.175   0.293    5.15   12      281.8       17.5
  163   2   0  17 31.692  63.384   0.294    5.11    6      239.8        6.3
  164   5   2  -9 31.729  63.458   0.294    5.1    12       45.8        0.5
  165   5   2   9 31.729  63.458   0.294    5.1    12       74.6        1.2
  166   6   2  -2 31.757  63.514   0.294    5.09   12      416.7       37.9
  167   5   3   5 31.933  63.866   0.296    5.03   12       46.6        0.5
  168   7   0  -5 31.933  63.866   0.296    5.03    6      384.4       15.9
  169   5   0 -13 31.985  63.97    0.296    5.01    6      142.1        2.2
  170   6   1   8 32.115  64.229   0.297    4.97   12       46.3        0.5
  171   4   3  10 32.128  64.255   0.297    4.96   12       84.3        1.5
  172   4   4   6 32.216  64.432   0.298    4.93   12      585.9       72.6
  173   0   0  18 32.319  64.639   0.299    4.9     2      568.1       11.3
  174   6   2   4 32.431  64.862   0.3      4.86   12      185.9        7.2
  175   2   1 -17 32.695  65.39    0.302    4.78   12       56.3        0.6
  176   3   1 -16 32.849  65.697   0.303    4.73   12      255.2       13.2
  177   6   2  -5 32.932  65.863   0.304    4.71   12      426.5       36.7
  178   4   2 -13 32.983  65.965   0.304    4.69   12      296.1       17.6
  179   7   1   0 33.197  66.395   0.306    4.63   12      124.7        3.1
  180   5   3  -7 33.269  66.539   0.307    4.6    12       63.1        0.8
  181   7   0   7 33.269  66.539   0.307    4.6     6       85.7        0.7
  182   4   3 -11 33.295  66.59    0.307    4.6    12       87.3        1.5
  183   1   1  18 33.312  66.624   0.307    4.59   12      356.8       25.1
  184   5   0  14 33.485  66.971   0.308    4.54    6      179.5        3.1
  185   7   1  -3 33.692  67.384   0.31     4.48   12      310.6       18.6
  186   7   1   3 33.692  67.384   0.31     4.48   12      124.4        3.0
  187   4   1 -15 33.768  67.536   0.311    4.46   12       24.9        0.1
  188   4   1  15 33.768  67.536   0.311    4.46   12      144.7        4.0
  189   4   0  16 33.833  67.666   0.311    4.44    6      963.9       88.5
  190   5   1  13 33.965  67.93    0.312    4.41   12       50.1        0.5
  191   5   3   8 34.091  68.182   0.313    4.37   12      178.8        6.0
  192   7   0  -8 34.091  68.182   0.313    4.37    6      239.6        5.4
  193   6   1 -10 34.104  68.207   0.313    4.37   12      407.7       31.2
  194   6   0 -12 34.227  68.454   0.314    4.34    6       85.2        0.7
  195   6   0  12 34.227  68.454   0.314    4.34    6      236.8        5.2
  196   6   2   7 34.248  68.496   0.315    4.33   12      390.0       28.3
  197   4   2  14 34.461  68.921   0.316    4.28   12      357.9       23.5
  198   5   4   1 34.554  69.109   0.317    4.25   12       71.3        0.9
  199   3   1  17 34.654  69.309   0.318    4.23   12       78.7        1.1
  200   1   0  19 34.679  69.359   0.318    4.22    6      163.0        2.4
  201   4   4   9 34.69   69.379   0.318    4.22   12       61.3        0.7
  202   5   4  -2 34.716  69.433   0.318    4.21   12       77.2        1.1
  203   3   2  16 34.804  69.608   0.319    4.19   12      481.3       41.6
  204   6   2  -8 35.058  70.117   0.321    4.13   12       66.8        0.8
  205   6   3   0 35.143  70.286   0.322    4.11   12      278.0       13.6
  206   7   1  -6 35.155  70.311   0.322    4.11   12      148.4        3.9
  207   7   1   6 35.155  70.311   0.322    4.11   12       33.3        0.2
  208   5   2 -12 35.193  70.385   0.322    4.1    12      172.3        5.2
  209   5   2  12 35.193  70.385   0.322    4.1    12      337.6       20.0
  210   6   1  11 35.238  70.476   0.323    4.09   12       54.2        0.5
  211   3   0 -18 35.255  70.509   0.323    4.08    6      156.2        2.1
  212   3   0  18 35.255  70.509   0.323    4.08    6      171.9        2.6
  213   5   4   4 35.362  70.723   0.324    4.06   12      400.4       27.9
  214   5   1 -14 35.424  70.847   0.324    4.05   12      503.2       43.9
  215   8   0  -1 35.516  71.032   0.325    4.03    6      219.9        4.2
  216   4   0 -17 35.615  71.229   0.326    4.0     6       64.7        0.4
  217   6   3  -3 35.625  71.25    0.326    4.0    12      134.4        3.1
  218   6   3   3 35.625  71.25    0.326    4.0    12      103.5        1.8
  219   2   0 -19 35.639  71.279   0.326    4.0     6       17.1        0.0
  220   8   0   2 35.676  71.352   0.326    3.99    6      483.9       20.0
  221   3   3  15 35.699  71.398   0.326    3.98   12       67.6        0.8
  222   5   4  -5 35.842  71.684   0.327    3.95   12       59.1        0.6
  223   4   3  13 35.891  71.783   0.328    3.94   12      343.5       20.0
  224   5   3 -10 36.026  72.053   0.329    3.91   12       92.4        1.4
  225   7   0  10 36.026  72.053   0.329    3.91    6       74.3        0.5
  226   2   2  18 36.208  72.416   0.33     3.88   12      259.1       11.2
  227   8   0  -4 36.314  72.628   0.331    3.85    6      336.3        9.3
  228   7   2  -1 36.467  72.933   0.332    3.82   12      162.5        4.3
  229   3   2 -17 36.564  73.129   0.333    3.8    12       33.1        0.2
  230   2   1  19 36.589  73.178   0.333    3.8    12       76.6        1.0
  231   7   2   2 36.625  73.25    0.333    3.79   12      265.8       11.5
  232   5   0 -16 36.71   73.421   0.334    3.78    6      398.2       12.8
  233   1   0 -20 36.759  73.518   0.335    3.77    6      263.0        5.6
  234   8   0   5 36.789  73.579   0.335    3.76    6       28.6        0.1
  235   6   2  10 36.972  73.943   0.336    3.73   12      301.2       14.5
  236   6   3  -6 37.055  74.109   0.337    3.71   12      144.9        3.3
  237   6   3   6 37.055  74.109   0.337    3.71   12      231.3        8.5
  238   5   4   7 37.111  74.222   0.337    3.7    12      286.5       13.0
  239   5   3  11 37.135  74.271   0.337    3.69   12      485.3       37.3
  240   7   0 -11 37.135  74.271   0.337    3.69    6      290.4        6.7
  241   7   2  -4 37.257  74.513   0.338    3.67   12      254.2       10.2
  242   4   3 -14 37.317  74.634   0.339    3.66   12      273.8       11.8
  243   7   1  -9 37.539  75.077   0.341    3.62   12      123.6        2.4
  244   7   1   9 37.539  75.077   0.341    3.62   12      149.5        3.5
  245   4   2 -16 37.649  75.299   0.341    3.6    12      486.6       36.6
  246   2   0  20 37.698  75.395   0.342    3.59    6      180.7        2.5
  247   7   2   5 37.728  75.455   0.342    3.59   12      268.2       11.1
  248   6   1 -13 37.776  75.552   0.342    3.58   12       21.0        0.1
  249   5   4  -8 37.896  75.792   0.343    3.56   12      120.9        2.2
  250   4   4  12 38.026  76.053   0.344    3.54   12      305.4       14.2
  251   8   0  -7 38.046  76.093   0.345    3.54    6       29.5        0.1
  252   6   2 -11 38.071  76.141   0.345    3.53   12      181.8        5.0
  253   8   1   1 38.34   76.681   0.347    3.49   12      194.7        5.7
  254   5   0  17 38.436  76.873   0.347    3.47    6      105.2        0.8
  255   3   1 -19 38.46   76.921   0.348    3.47   12      248.9        9.2
  256   8   1  -2 38.496  76.992   0.348    3.46   12      111.1        1.8
  257   6   0 -15 38.518  77.037   0.348    3.46    6      243.3        4.4
  258   6   0  15 38.518  77.037   0.348    3.46    6      420.1       13.1
  259   5   1  16 38.58   77.16    0.349    3.45   12      199.6        5.9
  260   0   0  21 38.59   77.18    0.349    3.45    2      426.2        4.5
  261   2   1 -20 38.628  77.256   0.349    3.44   12      345.2       17.6
  262   8   0   8 38.825  77.65    0.35     3.42    6      599.6       26.3
  263   5   5   0 38.907  77.813   0.351    3.4     6      654.4       31.3
  264   7   2  -7 38.974  77.948   0.352    3.39   12      184.9        5.0
  265   4   1 -18 39.014  78.028   0.352    3.39   12      140.8        2.9
  266   4   1  18 39.014  78.028   0.352    3.39   12      114.6        1.9
  267   8   1   4 39.117  78.235   0.353    3.37   12       36.7        0.2
  268   6   1  14 39.177  78.354   0.353    3.36   12       26.9        0.1
  269   6   4  -1 39.266  78.532   0.354    3.35   12      415.5       24.8
  270   4   2  17 39.361  78.723   0.355    3.34   12       64.1        0.6
  271   5   5   3 39.371  78.742   0.355    3.34   12       93.4        1.2
  272   4   0  19 39.385  78.771   0.355    3.34    6      129.0        1.2
  273   6   3  -9 39.395  78.79    0.355    3.33   12       84.8        1.0
  274   6   3   9 39.395  78.79    0.355    3.33   12      156.2        3.5
  275   6   4   2 39.421  78.842   0.355    3.33   12      358.0       18.3
  276   5   2 -15 39.443  78.885   0.355    3.33   12      395.0       22.3
  277   5   2  15 39.443  78.885   0.355    3.33   12      194.4        5.4
  278   1   1  21 39.514  79.028   0.356    3.32   12       77.3        0.9
  279   8   1  -5 39.581  79.162   0.356    3.31   12      472.0       31.6
  280   5   3 -13 39.629  79.258   0.357    3.3    12      168.5        4.0
  281   7   0  13 39.629  79.258   0.357    3.3     6      259.3        4.8
  282   7   2   8 39.747  79.495   0.357    3.29   12       14.2        0.0
  283   5   4  10 39.759  79.519   0.358    3.29   12       82.7        1.0
  284   6   4  -4 40.038  80.076   0.36     3.25   12       83.0        1.0
  285   7   3   1 40.186  80.371   0.361    3.23   12      265.7        9.8
  286   5   1 -17 40.28   80.561   0.361    3.22   12      150.9        3.1
  287   3   2  19 40.304  80.608   0.362    3.22   12      154.0        3.3
  288   7   3  -2 40.339  80.679   0.362    3.21   12       45.2        0.3
  289   4   3  16 40.422  80.845   0.362    3.2    12      195.8        5.3
  290   3   1  20 40.47   80.939   0.363    3.2    12      280.6       10.8
  291   6   4   5 40.499  80.998   0.363    3.19   12       79.3        0.9
  292   6   2  13 40.546  81.093   0.363    3.19   12       25.8        0.1
  293   8   0 -10 40.676  81.352   0.364    3.17    6      757.7       39.1
  294   9   0   0 40.745  81.49    0.365    3.17    6       57.7        0.2
  295   5   5   6 40.757  81.513   0.365    3.16   12      679.8       62.7
  296   7   1 -12 40.792  81.584   0.365    3.16   12       48.0        0.3
  297   7   1  12 40.792  81.584   0.365    3.16   12      164.0        3.6
  298   8   1   7 40.812  81.623   0.365    3.16   12      241.1        7.9
  299   5   4 -11 40.835  81.671   0.366    3.16   12      124.5        2.1
  300   3   3  18 40.851  81.702   0.366    3.15   12      125.8        2.1
  301   7   3   4 40.953  81.906   0.366    3.14   12       99.6        1.3
  302   5   3  14 41.012  82.024   0.367    3.14   12      164.5        3.6
  303   7   0 -14 41.012  82.024   0.367    3.14    6      237.6        3.8
  304   1   0  22 41.106  82.213   0.368    3.13    6       67.8        0.3
  305   9   0  -3 41.204  82.409   0.368    3.12    6       23.7        0.0
  306   9   0   3 41.204  82.409   0.368    3.12    6      146.6        1.4
  307   3   0 -21 41.346  82.691   0.369    3.1     6      676.4       30.4
  308   3   0  21 41.346  82.691   0.369    3.1     6      153.9        1.6
  309   4   0 -20 41.383  82.766   0.37     3.1     6      679.3       30.7
  310   7   3  -5 41.412  82.824   0.37     3.09   12      102.5        1.4
  311   8   1  -8 41.577  83.153   0.371    3.08   12       84.3        0.9
  312   7   2 -10 41.588  83.177   0.371    3.08   12      200.6        5.3
  313   8   2   0 41.657  83.314   0.372    3.07   12      495.5       32.3
  314   6   4  -7 41.723  83.447   0.372    3.06   12      419.7       23.1
  315   8   0  11 41.747  83.494   0.372    3.06    6       39.7        0.1
  316   6   2 -14 41.923  83.846   0.373    3.05   12      333.0       14.5
  317   2   0 -22 42.017  84.034   0.374    3.04    6      376.9        9.2
  318   4   3 -17 42.105  84.21    0.375    3.03   12      162.5        3.4
  319   8   2  -3 42.115  84.229   0.375    3.03   12       50.1        0.3
  320   8   2   3 42.115  84.229   0.375    3.03   12      365.3       17.3
  321   5   0 -19 42.128  84.257   0.375    3.03    6      454.1       13.4
  322   4   4  15 42.185  84.37    0.375    3.02   12       95.1        1.2
  323   6   1 -16 42.246  84.491   0.376    3.02   12      156.7        3.2
  324   2   2  21 42.255  84.511   0.376    3.02   12      263.6        9.0
  325   3   2 -20 42.292  84.585   0.376    3.01   12       68.1        0.6
  326   6   4   8 42.486  84.971   0.378    3.0    12      243.1        7.6
  327   9   0  -6 42.577  85.155   0.378    2.99    6      153.8        1.5
  328   9   0   6 42.577  85.155   0.378    2.99    6      122.5        1.0
  329   6   3 -12 42.612  85.225   0.378    2.98   12      169.1        3.7
  330   6   3  12 42.612  85.225   0.378    2.98   12       53.0        0.4
  331   7   3   7 42.632  85.264   0.379    2.98   12      207.9        5.5
  332   7   2  11 42.655  85.311   0.379    2.98   12       37.4        0.2
  333   2   1  22 42.925  85.849   0.381    2.96   12      204.4        5.3
  334   4   2 -19 43.036  86.071   0.381    2.95   12       56.1        0.4
  335   5   5   9 43.045  86.091   0.382    2.95   12       27.7        0.1
  336   5   4  13 43.275  86.55    0.383    2.93   12      143.7        2.6
  337   7   3  -8 43.392  86.784   0.384    2.93   12       41.8        0.2
  338   1   0 -23 43.392  86.784   0.384    2.93    6       19.5        0.0
  339   8   1  10 43.404  86.807   0.384    2.92   12      164.7        3.4
  340   8   2  -6 43.483  86.967   0.385    2.92   12      263.5        8.7
  341   8   2   6 43.483  86.967   0.385    2.92   12      101.5        1.3
  342   6   0 -18 43.577  87.154   0.385    2.91    6      595.8       22.2
  343   6   0  18 43.577  87.154   0.385    2.91    6      157.3        1.5
  344   6   5   1 43.824  87.648   0.387    2.9    12        4.2        0.0
  345   9   1  -1 43.824  87.648   0.387    2.9    12      116.1        1.7
  346   6   1  17 43.918  87.835   0.388    2.89   12      137.1        2.3
  347   5   1  19 43.941  87.882   0.388    2.89   12       93.8        1.1
  348   6   5  -2 43.976  87.952   0.388    2.89   12       73.1        0.7
  349   9   1   2 43.976  87.952   0.388    2.89   12      364.6       16.5
  350   5   3 -16 44.058  88.115   0.389    2.88   12       27.5        0.1
  351   7   0  16 44.058  88.115   0.389    2.88    6       26.0        0.0
  352   5   0  20 44.104  88.209   0.389    2.88    6       93.7        0.5
  353   8   0 -13 44.18   88.36    0.39     2.87    6      283.1        4.9
  354   2   0  23 44.297  88.594   0.39     2.87    6       36.8        0.1
  355   6   4 -10 44.308  88.617   0.39     2.87   12      251.4        7.8
  356   7   4   0 44.376  88.753   0.391    2.86   12        4.8        0.0
  357   8   1 -11 44.466  88.932   0.392    2.86   12      148.8        2.7
  358   5   2 -18 44.482  88.963   0.392    2.86   12      181.8        4.0
  359   5   2  18 44.482  88.963   0.392    2.86   12       64.0        0.5
  360   6   5   4 44.583  89.165   0.392    2.85   12      193.2        4.6
  361   9   1  -4 44.583  89.165   0.392    2.85   12       48.6        0.3
  362   5   4 -14 44.641  89.282   0.393    2.85   12      147.5        2.7
  363   3   1 -22 44.734  89.469   0.393    2.84   12      210.7        5.4
  364   7   4  -3 44.831  89.663   0.394    2.84   12      437.7       23.3
  365   7   4   3 44.831  89.663   0.394    2.84   12      115.7        1.6
  366   9   0  -9 44.855  89.71    0.394    2.84    6      375.9        8.6
  367   9   0   9 44.855  89.71    0.394    2.84    6      154.5        1.5
  368   7   1 -15 44.902  89.803   0.395    2.83   12      107.0        1.4
  369   7   1  15 44.902  89.803   0.395    2.83   12       86.0        0.9
  370   6   2  16 44.962  89.924   0.395    2.83   12      316.5       12.2
  371   4   1 -21 44.972  89.943   0.395    2.83   12      219.2        5.8
  372   4   1  21 44.972  89.943   0.395    2.83   12       51.2        0.3


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (angs.):

  No   H   K   L   Theta 2*Theta    d           I int   I int.n.  I p.h.n.   H(Si)
                    ( degree )   (angstrem)     *100                         *100

    1   1   0   1   4.495   8.99  11.41358       15.1      2.9      3.0     5.6
    2   0   0   3   5.112  10.224 10.0381        51.4      9.9     10.1     5.6
    3   1   0   2   5.379  10.758  9.54137       14.2      2.7      2.8     5.6
    4   1   1   0   7.216  14.432  7.1209       148.7     28.7     29.2     5.6
    5   1   0   4   8.001  16.002  6.42602      286.1     55.2     56.1     5.6
    6   2   0   1   8.514  17.028  6.0415        95.4     18.4     18.7     5.6
    7   1   1   3   8.859  17.718  5.80794       41.9      8.1      8.2     5.6
    8   2   0   2   9.017  18.035  5.70679      255.2     49.3     49.9     5.6
    9   1   0   5   9.513  19.026  5.41205       32.5      6.3      6.3     5.6
   10   0   0   6  10.266  20.531  5.01905       15.1      2.9      3.0     5.6
   11   2   1   2  11.587  23.174  4.45318        9.7      1.9      1.9     5.6
   12   2   0   5  11.981  23.962  4.30882      169.8     32.8     33.1     5.6
   13   1   1   6  12.593  25.187  4.10243      115.7     22.4     22.5     5.6
   14   1   0   7  12.721  25.442  4.06203       11.7      2.3      2.3     5.6
   15   2   1   4  13.043  26.086  3.96342      160.8     31.1     31.3     5.6
   16   3   0   3  13.598  27.196  3.80453      134.2     25.9     26.1     5.6
   17   2   1   5  14.042  28.084  3.68647       16.3      3.2      3.2     5.6
   18   1   0   8  14.385  28.77   3.60034       50.7      9.8      9.8     5.6
   19   2   2   0  14.55   29.1    3.56045      200.2     38.7     38.9     5.6
   20   2   0   7  14.685  29.37   3.52834      128.0     24.7     24.8     5.6
   21   3   1   1  15.258  30.515  3.39891      275.8     53.3     53.5     5.6
   22   2   2   3  15.459  30.919  3.35562        5.7      1.1      1.1     5.6
   23   0   0   9  15.505  31.01   3.34603        7.9      1.5      1.5     5.6
   24   3   1   2  15.554  31.107  3.33577       70.4     13.6     13.6     5.6
   25   2   0   8  16.164  32.328  3.21301      238.6     46.1     46.2     5.6
   26   3   0   6  16.334  32.668  3.18046       81.8     15.8     15.8     5.6
   27   2   1   7  16.435  32.869  3.16152      173.4     33.5     33.5     5.6
   28   1   1   9  17.179  34.358  3.02837       84.6     16.3     16.3     5.7
   29   4   0   2  17.224  34.448  3.02075       41.9      8.1      8.1     5.7
   30   3   1   5  17.5    35.001  2.97449      517.8    100.0    100.0     5.7
   31   2   1   8  17.783  35.566  2.92869       30.5      5.9      5.9     5.7
   32   2   2   6  17.94   35.879  2.90397       96.9     18.7     18.7     5.7
   33   4   0   4  18.269  36.537  2.85339      493.1     95.2     95.1     5.7
   34   3   2   2  18.763  37.525  2.78088       16.5      3.2      3.2     5.7
   35   4   0   5  19.02   38.039  2.74466       11.8      2.3      2.3     5.7
   36   2   0  10  19.302  38.604  2.70603       80.9     15.6     15.6     5.7
   37   4   1   0  19.411  38.821  2.69145       30.7      5.9      5.9     5.7
   38   3   1   7  19.516  39.032  2.6775        74.3     14.4     14.3     5.7
   39   3   2   4  19.737  39.474  2.64866       70.3     13.6     13.5     5.7
   40   4   1   3  20.125  40.25   2.59963       13.7      2.7      2.6     5.7
   41   3   0   9  20.161  40.323  2.59516      166.7     32.2     32.0     5.7
   42   2   1  10  20.708  41.416  2.52954       56.9     11.0     10.9     5.7
   43   0   0  12  20.881  41.762  2.50953       32.6      6.3      6.3     5.7
   44   5   0   1  21.335  42.67   2.45852       49.8      9.6      9.5     5.7
   45   2   2   9  21.521  43.042  2.43828       18.1      3.5      3.5     5.7
   46   4   0   8  22.023  44.046  2.38534       51.5      9.9      9.9     5.7
   47   3   3   0  22.138  44.275  2.37363       65.2     12.6     12.5     5.7
   48   3   2   7  22.232  44.464  2.36405        8.7      1.7      1.7     5.7
   49   4   2   1  22.637  45.274  2.32391       61.9     12.0     11.8     5.7
   50   3   3   3  22.782  45.564  2.30993       10.4      2.0      2.0     5.7
   51   4   2   2  22.85   45.7    2.30343       12.0      2.3      2.3     5.7
   52   1   0  13  23.134  46.268  2.27668       11.5      2.2      2.2     5.7
   53   3   2   8  23.295  46.589  2.26182       30.6      5.9      5.8     5.7
   54   5   1   1  23.883  47.766  2.20924       23.0      4.5      4.4     5.7
   55   5   1   2  24.087  48.175  2.19162       57.1     11.0     10.9     5.7
   56   4   2   5  24.298  48.596  2.17376       26.2      5.1      5.0     5.7
   57   4   0  10  24.53   49.061  2.15441      102.0     19.7     19.4     5.7
   58   3   3   6  24.636  49.271  2.14577       12.4      2.4      2.4     5.7
   59   5   0   7  24.707  49.415  2.13993       22.8      4.4      4.3     5.7
   60   3   1  11  24.738  49.476  2.13744       39.1      7.5      7.4     5.7
   61   5   1   4  24.891  49.783  2.12512       55.1     10.6     10.5     5.7
   62   1   0  14  24.968  49.935  2.11904       26.8      5.2      5.1     5.7
   63   4   1   9  25.246  50.492  2.09719       10.1      2.0      1.9     5.8
   64   5   1   5  25.482  50.964  2.07904       14.8      2.9      2.8     5.8
   65   3   2  10  25.707  51.413  2.0621        40.5      7.8      7.7     5.8
   66   4   2   7  25.878  51.755  2.04939       44.7      8.6      8.5     5.8
   67   4   3   1  26.24   52.48   2.02308       13.0      2.5      2.5     5.8
   68   6   0   3  26.369  52.739  2.01383       17.7      3.4      3.4     5.8
   69   4   3   2  26.43   52.861  2.00952       12.9      2.5      2.4     5.8
   70   4   2   8  26.831  53.662  1.98171      135.5     26.2     25.6     5.8
   71   5   1   7  27.011  54.023  1.96945       15.9      3.1      3.0     5.8
   72   4   3   4  27.184  54.368  1.95789        8.9      1.7      1.7     5.8
   73   2   1  14  27.256  54.512  1.95313       11.4      2.2      2.2     5.8
   74   3   3   9  27.517  55.035  1.93598       61.4     11.9     11.6     5.8
   75   1   1  15  27.574  55.149  1.93229       10.2      2.0      1.9     5.8
   76   3   1  13  27.797  55.593  1.91807       24.2      4.7      4.6     5.8
   77   5   1   8  27.938  55.875  1.90916        5.4      1.0      1.0     5.8
   78   6   0   6  28.048  56.096  1.90226       64.8     12.5     12.2     5.8
   79   6   1   1  28.456  56.912  1.87722       23.3      4.5      4.4     5.8
   80   6   1   2  28.636  57.273  1.86638        9.8      1.9      1.8     5.8
   81   1   0  16  28.733  57.467  1.8606        13.1      2.5      2.5     5.8
   82   4   2  10  29.03   58.06   1.84324       27.2      5.2      5.1     5.8
   83   5   2   6  29.124  58.247  1.83782       54.8     10.6     10.3     5.8
   84   4   1  12  29.165  58.33   1.83545       65.1     12.6     12.2     5.8
   85   6   1   4  29.352  58.704  1.82479       10.1      2.0      1.9     5.8
   86   3   0  15  29.724  59.447  1.80402       12.0      2.3      2.3     5.8
   87   2   0  16  29.794  59.587  1.80017       15.2      2.9      2.9     5.8
   88   6   1   5  29.881  59.762  1.79537       15.6      3.0      2.9     5.8
   89   5   1  10  30.083  60.167  1.78442       27.6      5.3      5.2     5.8
   90   4   4   0  30.162  60.323  1.78023      149.1     28.8     28.0     5.8
   91   4   2  11  30.265  60.529  1.77474       33.5      6.5      6.3     5.8
   92   4   0  14  30.465  60.93   1.76417       58.4     11.3     10.9     5.8
   93   5   3   1  30.565  61.13   1.75896       18.1      3.5      3.4     5.8
   94   2   2  15  30.762  61.525  1.74877       30.1      5.8      5.6     5.8
   95   3   3  12  31.245  62.489  1.72445       12.8      2.5      2.4     5.8
   96   7   0   4  31.424  62.848  1.71561       23.9      4.6      4.5     5.9
   97   3   2  14  31.49   62.979  1.7124        23.6      4.6      4.4     5.9
   98   6   2   1  31.588  63.175  1.70763       17.5      3.4      3.3     5.9
   99   2   0  17  31.692  63.384  1.70258        6.3      1.2      1.2     5.9
  100   6   2   2  31.757  63.514  1.69946       39.1      7.6      7.3     5.9
  101   7   0   5  31.933  63.866  1.69109       15.9      3.1      3.0     5.9
  102   4   4   6  32.216  64.432  1.67781       72.6     14.0     13.5     5.9
  103   0   0  18  32.319  64.639  1.67302       11.3      2.2      2.1     5.9
  104   6   2   4  32.431  64.862  1.66788        7.2      1.4      1.3     5.9
  105   3   1  16  32.849  65.697  1.64902       13.2      2.6      2.5     5.9
  106   6   2   5  32.932  65.863  1.64533       36.7      7.1      6.8     5.9
  107   4   2  13  32.983  65.965  1.64306       17.6      3.4      3.3     5.9
  108   1   1  18  33.312  66.624  1.62867       26.6      5.1      4.9     5.9
  109   7   1   3  33.692  67.384  1.61243       21.5      4.2      4.0     5.9
  110   4   0  16  33.833  67.666  1.6065        88.5     17.1     16.4     5.9
  111   6   1  10  34.104  68.207  1.59528       42.5      8.2      7.9     5.9
  112   6   2   7  34.248  68.496  1.58938       33.5      6.5      6.2     5.9
  113   4   2  14  34.461  68.921  1.58076       23.5      4.5      4.3     5.9
  114   3   2  16  34.804  69.608  1.56712       41.6      8.0      7.7     5.9
  115   6   3   0  35.143  70.286  1.55391       17.7      3.4      3.3     5.9
  116   5   2  12  35.193  70.385  1.552         25.3      4.9      4.7     5.9
  117   5   4   4  35.362  70.723  1.54554       27.9      5.4      5.1     5.9
  118   5   1  14  35.424  70.847  1.5432        43.9      8.5      8.1     5.9
  119   8   0   2  35.676  71.352  1.5337        20.8      4.0      3.8     5.9
  120   4   3  13  35.891  71.783  1.52573       20.0      3.9      3.7     5.9
  121   2   2  18  36.208  72.416  1.51418       11.2      2.2      2.0     5.9
  122   8   0   4  36.314  72.628  1.51038        9.3      1.8      1.7     6.0
  123   7   2   2  36.625  73.25   1.49932       11.5      2.2      2.1     6.0
  124   5   0  16  36.71   73.421  1.49632       12.8      2.5      2.4     6.0
  125   1   0  20  36.759  73.518  1.49462        5.6      1.1      1.0     6.0
  126   6   2  10  36.972  73.943  1.48724       14.5      2.8      2.7     6.0
  127   6   3   6  37.055  74.109  1.48439       11.9      2.3      2.2     6.0
  128   5   3  11  37.135  74.271  1.48163       57.0     11.0     10.4     6.0
  129   7   2   4  37.257  74.513  1.47751       10.2      2.0      1.9     6.0
  130   4   3  14  37.317  74.634  1.47546       11.8      2.3      2.2     6.0
  131   7   1   9  37.539  75.077  1.46802        5.8      1.1      1.1     6.0
  132   4   2  16  37.649  75.299  1.46434       36.6      7.1      6.7     6.0
  133   7   2   5  37.728  75.455  1.46176       11.1      2.1      2.0     6.0
  134   4   4  12  38.026  76.053  1.45199       14.2      2.7      2.6     6.0
  135   8   1   1  38.34   76.681  1.4419         5.7      1.1      1.0     6.0
  136   3   1  19  38.46   76.921  1.4381         9.2      1.8      1.7     6.0
  137   6   0  15  38.518  77.037  1.43627       19.3      3.7      3.5     6.0
  138   5   1  16  38.58   77.16   1.43433       10.4      2.0      1.9     6.0
  139   2   1  20  38.628  77.256  1.43283       17.6      3.4      3.2     6.0
  140   8   0   8  38.825  77.65   1.4267        26.3      5.1      4.8     6.0
  141   5   5   0  38.907  77.813  1.42418       31.3      6.0      5.7     6.0
  142   6   4   1  39.266  78.532  1.41322       24.8      4.8      4.5     6.0
  143   6   3   9  39.395  78.79   1.40935        7.0      1.3      1.3     6.0
  144   5   2  15  39.443  78.885  1.40792       46.0      8.9      8.3     6.0
  145   8   1   5  39.581  79.162  1.4038        31.6      6.1      5.7     6.0
  146   7   0  13  39.629  79.258  1.40239        8.8      1.7      1.6     6.0
  147   7   3   1  40.186  80.371  1.38619        9.8      1.9      1.8     6.0
  148   3   2  19  40.304  80.608  1.3828         6.4      1.2      1.2     6.1
  149   4   3  16  40.422  80.845  1.37945        5.3      1.0      1.0     6.1
  150   3   1  20  40.47   80.939  1.37812       11.7      2.3      2.1     6.1
  151   8   0  10  40.676  81.352  1.37233       39.1      7.5      7.0     6.1
  152   5   5   6  40.757  81.513  1.37009       62.7     12.1     11.3     6.1
  153   8   1   7  40.812  81.623  1.36857       11.5      2.2      2.1     6.1
  154   7   0  14  41.012  82.024  1.36305        7.4      1.4      1.3     6.1
  155   3   0  21  41.346  82.691  1.35401       32.0      6.2      5.8     6.1
  156   4   0  20  41.383  82.766  1.35301       32.0      6.2      5.8     6.1
  157   7   2  10  41.588  83.177  1.34753        5.3      1.0      1.0     6.1
  158   8   2   0  41.657  83.314  1.34572       32.3      6.2      5.8     6.1
  159   6   4   7  41.723  83.447  1.34397       23.3      4.5      4.2     6.1
  160   6   2  14  41.923  83.846  1.33875       14.5      2.8      2.6     6.1
  161   2   0  22  42.017  84.034  1.33631        9.2      1.8      1.7     6.1
  162   5   0  19  42.128  84.257  1.33344       34.5      6.7      6.2     6.1
  163   2   2  21  42.255  84.511  1.33018       12.2      2.3      2.2     6.1
  164   6   4   8  42.486  84.971  1.32433        7.6      1.5      1.4     6.1
  165   7   3   7  42.632  85.264  1.32065        9.5      1.8      1.7     6.1
  166   2   1  22  42.925  85.849  1.31338        5.3      1.0      0.9     6.1
  167   8   2   6  43.483  86.967  1.29981       10.0      1.9      1.8     6.1
  168   6   0  18  43.577  87.154  1.29758       23.7      4.6      4.2     6.2
  169   9   1   2  43.976  87.952  1.28819       16.5      3.2      2.9     6.2
  170   6   4  10  44.308  88.617  1.28051        7.8      1.5      1.4     6.2
  171   5   2  18  44.482  88.963  1.27656        7.3      1.4      1.3     6.2
  172   3   1  22  44.734  89.469  1.27086        5.4      1.0      1.0     6.2
  173   7   4   3  44.831  89.663  1.2687        35.0      6.8      6.2     6.2
  174   6   2  16  44.962  89.924  1.2658        18.3      3.5      3.2     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)