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       ***
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STEENSTRUPINE_CE

1, DF

Na(14)(Ce,La)(6)Mn''Mn'''Fe''(2)(Zr,Th)[Si(6)O(18)](2)[PO(4)](7)ú3H(2)O


Hexagonal  R 3(-)m  Z = 3

R3(-)m

29 .6 .1906

Ref.Str.:

         Moore P.B., Shen J. (1983)

         * Tschermaks Miner. Petrogr. Mitt., 31, 47-67

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  10.46     alpha =   90.0 
             b =  10.46     beta  =   90.0 
             c =  45.479    gamma =  120.0 

    Unit cell volume (cub. angs.) =  4309.28

    Molar volume ( cub.cm/mol.) =   865.21

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

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

   1 0.2742  0.1371  0.4375   0.0    Na    = 1.00
   2 0.333   0.1665  0.2884   0.0    Na    = 1.00
   3 0.0     0.0     0.0702   0.0    Na    = 0.74, Ca    = 0.26
   4 0.1311  0.2622  0.1833   0.0    Ce    = 0.65, La    = 0.35
   5 0.0     0.0     0.3137   0.0    Mn    = 1.00
   6 0.0     0.0     0.245    0.0    Fe    = 1.00
   7 0.0     0.0     0.0      0.0    Zr    = 1.00
   8 0.158   0.316   0.3994   0.0    Si    = 1.00
   9 0.2966  0.1483  0.3639   0.0    Si    = 1.00
  10 0.36    0.18    0.2129   0.0    P     = 0.77, Si    = 0.23
  11 0.0     0.0     0.4941   0.0    P     = 0.41, P     = 0.0 
  12 0.4388  0.2194  0.2416   0.0    O     = 1.00
  13 0.1844  0.0922  0.2154   0.0    O     = 1.00
  14 0.3967  0.3227  0.195    0.0    O     = 1.00
  15 0.1369  0.2738  0.4334   0.0    O     = 1.00
  16 0.2448  0.4896  0.392    0.0    O     = 1.00
  17 0.2521  0.2501  0.3838   0.0    O     = 1.00
  18 0.218   0.109   0.334    0.0    O     = 1.00
  19 0.4758  0.2379  0.3635   0.0    O     = 1.00
  20 0.0     0.0     0.4586   0.0    O     = 0.41, O     = 0.0 
  21 0.138   0.1528  0.4969   0.0    O     = 0.2 , O     = 0.0 
  22 0.0     0.0     0.1655   0.0    OH    = 1.00
  23 0.3333  0.1667  0.6667   0.0    H(2)O = 0.73, H(2)O = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2742     0.1371     0.4375
     2       2     0.333      0.1665     0.2884
     3       3     0.0        0.0        0.0702
     4       4     0.1311     0.2622     0.1833
     5       5     0.0        0.0        0.3137
     6       6     0.0        0.0        0.245 
     7       7     0.0        0.0        0.0   
     8       8     0.158      0.316      0.3994
     9       9     0.2966     0.1483     0.3639
    10      10     0.36       0.18       0.2129
    11      11     0.0        0.0        0.4941
    12      12     0.4388     0.2194     0.2416
    13      13     0.1844     0.0922     0.2154
    14      14     0.3967     0.3227     0.195 
    15      15     0.1369     0.2738     0.4334
    16      16     0.2448     0.4896     0.392 
    17      17     0.2521     0.2501     0.3838
    18      18     0.218      0.109      0.334 
    19      19     0.4758     0.2379     0.3635
    20      20     0.0        0.0        0.4586
    21      21     0.138      0.1528     0.4969
    22      22     0.0        0.0        0.1655
    23      23     0.3333     0.1667     0.6667
    24       1     0.8629     0.1371     0.4375
    25       1     0.8629     0.7258     0.4375
    26       2     0.8335     0.1665     0.2884
    27       2     0.8335     0.667      0.2884
    28       4     0.7378     0.8689     0.1833
    29       4     0.1311     0.8689     0.1833
    30       8     0.684      0.842      0.3994
    31       8     0.158      0.842      0.3994
    32       9     0.8517     0.1483     0.3639
    33       9     0.8517     0.7034     0.3639
    34      10     0.82       0.18       0.2129
    35      10     0.82       0.64       0.2129
    36      12     0.7806     0.2194     0.2416
    37      12     0.7806     0.5612     0.2416
    38      13     0.9078     0.0922     0.2154
    39      13     0.9078     0.8156     0.2154
    40      14     0.6773     0.074      0.195 
    41      14     0.926      0.6033     0.195 
    42      15     0.7262     0.8631     0.4334
    43      15     0.1369     0.8631     0.4334
    44      16     0.5104     0.7552     0.392 
    45      16     0.2448     0.7552     0.392 
    46      17     0.7499     0.002      0.3838
    47      17     0.998      0.7479     0.3838
    48      18     0.891      0.109      0.334 
    49      18     0.891      0.782      0.334 
    50      19     0.7621     0.2379     0.3635
    51      19     0.7621     0.5242     0.3635
    52      21     0.8472     0.9852     0.4969
    53      21     0.0148     0.862      0.4969
    54      23     0.8333     0.1666     0.6667
    55      23     0.8334     0.6667     0.6667
    56       1     0.5296     0.4704     0.7708
    57       1     0.1962     0.3925     0.1042
    58       2     0.5002     0.4998     0.6217
    59       2     0.1668     0.3337     0.9551
    60       3     0.6667     0.3333     0.4035
    61       3     0.3333     0.6667     0.7369
    62       4     0.4045     0.2022     0.5166
    63       4     0.4644     0.5356     0.85  
    64       5     0.6667     0.3333     0.647 
    65       5     0.3333     0.6667     0.9804
    66       6     0.6667     0.3333     0.5783
    67       6     0.3333     0.6667     0.9117
    68       7     0.6667     0.3333     0.3333
    69       7     0.3333     0.6667     0.6667
    70       8     0.3507     0.1753     0.7327
    71       8     0.4913     0.5087     0.0661
    72       9     0.5184     0.4816     0.6972
    73       9     0.185      0.3701     0.0306
    74      10     0.4867     0.5133     0.5462
    75      10     0.1533     0.3067     0.8796
    76      11     0.6667     0.3333     0.8274
    77      11     0.3333     0.6667     0.1608
    78      12     0.4473     0.5527     0.5749
    79      12     0.1139     0.2279     0.9083
    80      13     0.5745     0.4255     0.5487
    81      13     0.2411     0.4823     0.8821
    82      14     0.344      0.4073     0.5283
    83      14     0.2593     0.27       0.8617
    84      15     0.3929     0.1964     0.7667
    85      15     0.4702     0.5298     0.1001
    86      16     0.1771     0.0885     0.7253
    87      16     0.5781     0.4219     0.0587
    88      17     0.4166     0.3353     0.7171
    89      17     0.3313     0.4146     0.0505
    90      18     0.5577     0.4423     0.6673
    91      18     0.2243     0.4487     0.0007
    92      19     0.4288     0.5712     0.6968
    93      19     0.0954     0.1909     0.0302
    94      20     0.6667     0.3333     0.7919
    95      20     0.3333     0.6667     0.1253
    96      21     0.5139     0.3185     0.8302
    97      21     0.3481     0.5287     0.1636
    98      22     0.6667     0.3333     0.4988
    99      22     0.3333     0.6667     0.8322
   100      23     0.5        0.4999     0.0   
   101      23     0.1667     0.3334     0.3334
   102       1     0.5296     0.0591     0.7708
   103       1     0.6075     0.8038     0.1042
   104       1     0.9409     0.4704     0.7708
   105       1     0.1962     0.8038     0.1042
   106       2     0.5002     0.0003     0.6217
   107       2     0.6663     0.8332     0.9551
   108       2     0.9997     0.4998     0.6217
   109       2     0.1668     0.8332     0.9551
   110       4     0.7978     0.2022     0.5166
   111       4     0.4644     0.9289     0.85  
   112       4     0.7978     0.5955     0.5166
   113       4     0.0711     0.5355     0.85  
   114       8     0.8247     0.1753     0.7327
   115       8     0.4913     0.9827     0.0661
   116       8     0.8247     0.6493     0.7327
   117       8     0.0173     0.5087     0.0661
   118       9     0.5184     0.0367     0.6972
   119       9     0.6299     0.815      0.0306
   120       9     0.9633     0.4816     0.6972
   121       9     0.185      0.8149     0.0306
   122      10     0.4867     0.9733     0.5462
   123      10     0.6933     0.8467     0.8796
   124      10     0.0267     0.5133     0.5462
   125      10     0.1533     0.8466     0.8796
   126      12     0.4473     0.8945     0.5749
   127      12     0.7721     0.8861     0.9083
   128      12     0.1055     0.5527     0.5749
   129      12     0.1139     0.886      0.9083
   130      13     0.5745     0.1489     0.5487
   131      13     0.5177     0.7589     0.8821
   132      13     0.8511     0.4255     0.5487
   133      13     0.2411     0.7588     0.8821
   134      14     0.5927     0.9366     0.5283
   135      14     0.73       0.9894     0.8617
   136      14     0.0634     0.656      0.5283
   137      14     0.0106     0.7407     0.8617
   138      15     0.8036     0.1964     0.7667
   139      15     0.4702     0.9405     0.1001
   140      15     0.8036     0.6071     0.7667
   141      15     0.0595     0.5298     0.1001
   142      16     0.9115     0.0885     0.7253
   143      16     0.5781     0.1563     0.0587
   144      16     0.9115     0.8229     0.7253
   145      16     0.8437     0.4218     0.0587
   146      17     0.6647     0.0812     0.7171
   147      17     0.5854     0.9168     0.0505
   148      17     0.9188     0.5834     0.7171
   149      17     0.0832     0.6687     0.0505
   150      18     0.5577     0.1153     0.6673
   151      18     0.5513     0.7757     0.0007
   152      18     0.8847     0.4423     0.6673
   153      18     0.2243     0.7757     0.0007
   154      19     0.4288     0.8575     0.6968
   155      19     0.8091     0.9046     0.0302
   156      19     0.1425     0.5712     0.6968
   157      19     0.0954     0.9045     0.0302
   158      21     0.6815     0.1953     0.8302
   159      21     0.4713     0.8195     0.1636
   160      21     0.8047     0.4861     0.8302
   161      21     0.1805     0.6518     0.1636
   162      23     0.5001     0.0        0.0   
   163      23     0.6666     0.8334     0.3334
   164      23     0.0        0.5        0.0   
   165      23     0.1666     0.8333     0.3334
   166      14     0.3967     0.074      0.195 
   167      17     0.2521     0.002      0.3838
   168      21     0.138      0.9852     0.4969
   169      14     0.6773     0.6033     0.195 
   170      14     0.926      0.3227     0.195 
   171      17     0.7499     0.7479     0.3838
   172      17     0.998      0.2501     0.3838
   173      21     0.8472     0.862      0.4969
   174      21     0.0148     0.1528     0.4969
   175      14     0.344      0.9366     0.5283
   176      14     0.2593     0.9894     0.8617
   177      17     0.4166     0.0812     0.7171
   178      17     0.3313     0.9168     0.0505
   179      21     0.5139     0.1953     0.8302
   180      21     0.3481     0.8195     0.1636
   181      14     0.5927     0.656      0.5283
   182      14     0.73       0.7407     0.8617
   183      14     0.0634     0.4073     0.5283
   184      14     0.0106     0.27       0.8617
   185      17     0.6647     0.5834     0.7171
   186      17     0.5854     0.6687     0.0505
   187      17     0.9188     0.3353     0.7171
   188      17     0.0832     0.4146     0.0505
   189      21     0.6815     0.4861     0.8302
   190      21     0.4713     0.6519     0.1636
   191      21     0.8047     0.3185     0.8302
   192      21     0.1805     0.5287     0.1636
   193       1     0.7258     0.8629     0.5625
   194       2     0.667      0.8335     0.7116
   195       3     0.0        0.0        0.9298
   196       4     0.8689     0.7378     0.8167
   197       5     0.0        0.0        0.6863
   198       6     0.0        0.0        0.755 
   199       8     0.842      0.684      0.6006
   200       9     0.7034     0.8517     0.6361
   201      10     0.64       0.82       0.7871
   202      11     0.0        0.0        0.5059
   203      12     0.5612     0.7806     0.7584
   204      13     0.8156     0.9078     0.7846
   205      14     0.6033     0.6773     0.805 
   206      15     0.8631     0.7262     0.5666
   207      16     0.7552     0.5104     0.608 
   208      17     0.7479     0.7499     0.6162
   209      18     0.782      0.891      0.666 
   210      19     0.5242     0.7621     0.6365
   211      20     0.0        0.0        0.5414
   212      21     0.862      0.8472     0.5031
   213      22     0.0        0.0        0.8345
   214       1     0.1371     0.8629     0.5625
   215       1     0.1371     0.2742     0.5625
   216       2     0.1665     0.8335     0.7116
   217       2     0.1665     0.333      0.7116
   218       4     0.2622     0.1311     0.8167
   219       4     0.8689     0.1311     0.8167
   220       8     0.316      0.158      0.6006
   221       8     0.842      0.158      0.6006
   222       9     0.1483     0.8517     0.6361
   223       9     0.1483     0.2966     0.6361
   224      10     0.18       0.82       0.7871
   225      10     0.18       0.36       0.7871
   226      12     0.2194     0.7806     0.7584
   227      12     0.2194     0.4388     0.7584
   228      13     0.0922     0.9078     0.7846
   229      13     0.0922     0.1844     0.7846
   230      14     0.3227     0.926      0.805 
   231      14     0.074      0.3967     0.805 
   232      15     0.2738     0.1369     0.5666
   233      15     0.8631     0.1369     0.5666
   234      16     0.4896     0.2448     0.608 
   235      16     0.7552     0.2448     0.608 
   236      17     0.2501     0.998      0.6162
   237      17     0.002      0.2521     0.6162
   238      18     0.109      0.891      0.666 
   239      18     0.109      0.218      0.666 
   240      19     0.2379     0.7621     0.6365
   241      19     0.2379     0.4758     0.6365
   242      21     0.1528     0.0148     0.5031
   243      21     0.9852     0.138      0.5031
   244       1     0.4704     0.5296     0.2292
   245       1     0.8038     0.6075     0.8958
   246       2     0.4998     0.5002     0.3783
   247       2     0.8332     0.6663     0.0449
   248       3     0.3333     0.6667     0.5965
   249       3     0.6667     0.3333     0.2631
   250       4     0.5955     0.7978     0.4834
   251       4     0.5356     0.4644     0.15  
   252       5     0.3333     0.6667     0.353 
   253       5     0.6667     0.3333     0.0196
   254       6     0.3333     0.6667     0.4217
   255       6     0.6667     0.3333     0.0883
   256       8     0.6493     0.8247     0.2673
   257       8     0.5087     0.4913     0.9339
   258       9     0.4816     0.5184     0.3028
   259       9     0.815      0.6299     0.9694
   260      10     0.5133     0.4867     0.4538
   261      10     0.8467     0.6933     0.1204
   262      11     0.3333     0.6667     0.1726
   263      11     0.6667     0.3333     0.8392
   264      12     0.5527     0.4473     0.4251
   265      12     0.8861     0.7721     0.0917
   266      13     0.4255     0.5745     0.4513
   267      13     0.7589     0.5177     0.1179
   268      14     0.656      0.5927     0.4717
   269      14     0.7407     0.73       0.1383
   270      15     0.6071     0.8036     0.2333
   271      15     0.5298     0.4702     0.8999
   272      16     0.8229     0.9115     0.2747
   273      16     0.4219     0.5781     0.9413
   274      17     0.5834     0.6647     0.2829
   275      17     0.6687     0.5854     0.9495
   276      18     0.4423     0.5577     0.3327
   277      18     0.7757     0.5513     0.9993
   278      19     0.5712     0.4288     0.3032
   279      19     0.9046     0.8091     0.9698
   280      20     0.3333     0.6667     0.2081
   281      20     0.6667     0.3333     0.8747
   282      21     0.4861     0.6815     0.1698
   283      21     0.6519     0.4713     0.8364
   284      22     0.3333     0.6667     0.5012
   285      22     0.6667     0.3333     0.1678
   286       1     0.4704     0.9409     0.2292
   287       1     0.3925     0.1962     0.8958
   288       1     0.0591     0.5296     0.2292
   289       1     0.8038     0.1962     0.8958
   290       2     0.4998     0.9997     0.3783
   291       2     0.3337     0.1668     0.0449
   292       2     0.0003     0.5002     0.3783
   293       2     0.8332     0.1668     0.0449
   294       4     0.2022     0.7978     0.4834
   295       4     0.5356     0.0711     0.15  
   296       4     0.2022     0.4045     0.4834
   297       4     0.9289     0.4645     0.15  
   298       8     0.1753     0.8247     0.2673
   299       8     0.5087     0.0173     0.9339
   300       8     0.1753     0.3507     0.2673
   301       8     0.9827     0.4913     0.9339
   302       9     0.4816     0.9633     0.3028
   303       9     0.3701     0.185      0.9694
   304       9     0.0367     0.5184     0.3028
   305       9     0.815      0.1851     0.9694
   306      10     0.5133     0.0267     0.4538
   307      10     0.3067     0.1533     0.1204
   308      10     0.9733     0.4867     0.4538
   309      10     0.8467     0.1534     0.1204
   310      12     0.5527     0.1055     0.4251
   311      12     0.2279     0.1139     0.0917
   312      12     0.8945     0.4473     0.4251
   313      12     0.8861     0.114      0.0917
   314      13     0.4255     0.8511     0.4513
   315      13     0.4823     0.2411     0.1179
   316      13     0.1489     0.5745     0.4513
   317      13     0.7589     0.2412     0.1179
   318      14     0.4073     0.0634     0.4717
   319      14     0.27       0.0106     0.1383
   320      14     0.9366     0.344      0.4717
   321      14     0.9894     0.2593     0.1383
   322      15     0.1964     0.8036     0.2333
   323      15     0.5298     0.0595     0.8999
   324      15     0.1964     0.3929     0.2333
   325      15     0.9405     0.4702     0.8999
   326      16     0.0885     0.9115     0.2747
   327      16     0.4219     0.8437     0.9413
   328      16     0.0885     0.1771     0.2747
   329      16     0.1563     0.5782     0.9413
   330      17     0.3353     0.9188     0.2829
   331      17     0.4146     0.0832     0.9495
   332      17     0.0812     0.4166     0.2829
   333      17     0.9168     0.3313     0.9495
   334      18     0.4423     0.8847     0.3327
   335      18     0.4487     0.2243     0.9993
   336      18     0.1153     0.5577     0.3327
   337      18     0.7757     0.2243     0.9993
   338      19     0.5712     0.1425     0.3032
   339      19     0.1909     0.0954     0.9698
   340      19     0.8575     0.4288     0.3032
   341      19     0.9046     0.0955     0.9698
   342      21     0.3185     0.8047     0.1698
   343      21     0.5287     0.1805     0.8364
   344      21     0.1953     0.5139     0.1698
   345      21     0.8195     0.3482     0.8364
   346      14     0.6033     0.926      0.805 
   347      17     0.7479     0.998      0.6162
   348      21     0.862      0.0148     0.5031
   349      14     0.3227     0.3967     0.805 
   350      14     0.074      0.6773     0.805 
   351      17     0.2501     0.2521     0.6162
   352      17     0.002      0.7499     0.6162
   353      21     0.1528     0.138      0.5031
   354      21     0.9852     0.8472     0.5031
   355      14     0.656      0.0634     0.4717
   356      14     0.7407     0.0106     0.1383
   357      17     0.5834     0.9188     0.2829
   358      17     0.6687     0.0832     0.9495
   359      21     0.4861     0.8047     0.1698
   360      21     0.6519     0.1805     0.8364
   361      14     0.4073     0.344      0.4717
   362      14     0.27       0.2593     0.1383
   363      14     0.9366     0.5927     0.4717
   364      14     0.9894     0.73       0.1383
   365      17     0.3353     0.4166     0.2829
   366      17     0.4146     0.3313     0.9495
   367      17     0.0812     0.6647     0.2829
   368      17     0.9168     0.5854     0.9495
   369      21     0.3185     0.5139     0.1698
   370      21     0.5287     0.3481     0.8364
   371      21     0.1953     0.6815     0.1698
   372      21     0.8195     0.4713     0.8364


X-ray density (g/cm cub.)   =      3.6 

MU (1/cm) =     619.022    Mass attenuation coefficient (cm**2/g) =    172.131

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

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

    1    Na                  2.976        7
                                                 2.4891      15
                                                 2.7728      17
                                                 2.6628      20
                                                 2.4891      15
                                                 2.7728      17
                                                 2.4542      14
                                                 2.4542      14
    2    Na                  2.976        8
                                                 2.3342      12
                                                 2.3208      18
                                                 2.7112      19
                                                 2.6877      16
                                                 2.6876      16
                                                 2.6158      17
                                                 2.7112      19
                                                 2.6158      17
    3   Na   ,Ca             3.048        6
                                                 2.511       19
                                                 2.5111      19
                                                 2.5111      19
                                                 2.2848      12
                                                 2.2849      12
                                                 2.2848      12
    4   Ce   ,La             3.048       12
                                                 2.5684      13
                                                 2.5776      14
                                                 2.5092      22
                                                 2.5684      13
                                                 2.7202      21
                                                 2.5776      14
                                                 2.7204      21
                                                 2.5166      14
                                                 2.5627      15
                                                 2.4475      21
                                                 2.5167      14
                                                 2.4476      21
    5    Mn                  2.892        6
                                                 2.1799      18
                                                 2.1798      18
                                                 2.1799      18
                                                 2.3924      16
                                                 2.3924      16
                                                 2.3924      16
    6    Fe                  2.76         6
                                                 2.1453      13
                                                 2.1453      13
                                                 2.1453      13
                                                 2.096       16
                                                 2.0961      16
                                                 2.096       16
    7    Zr                  2.784        6
                                                 2.2069      19
                                                 2.2071      19
                                                 2.207       19
                                                 2.2069      19
                                                 2.2071      19
                                                 2.207       19
    8    Si                  2.268        4
                                                 1.5928      15
                                                 1.6082      16
                                                 1.6204      17
                                                 1.6204      17
    9    Si                  2.268        4
                                                 1.6326      17
                                                 1.535       18
                                                 1.6234      19
                                                 1.6326      17
   10   P    ,Si             2.4          4
                                                 1.4877      12
                                                 1.5948      13
                                                 1.5701      14
                                                 1.5701      14
   11   P    ,P              2.4         14
                                                 1.6145      20
                                                 1.5321      21
                                                 1.532       21
                                                 1.5321      21
                                                 1.5321      21
                                                 1.532       21
                                                 1.5321      21
                                                 2.1512      20
                                                 1.5807      21
                                                 1.5807      21
                                                 1.5808      21
                                                 1.5807      21
                                                 1.5807      21
                                                 1.5808      21
   12    O                   3.432        7
                                                 2.5943      13
                                                 2.5157      14
                                                 2.5157      14
                                                 3.3944      19
                                                 3.3436      17
                                                 3.3944      19
                                                 3.3436      17
   13    O                   3.432       10
                                                 2.5943      12
                                                 2.5002      14
                                                 2.8179      22
                                                 2.8932      13
                                                 2.8932      13
                                                 2.5002      14
                                                 3.1893      15
                                                 3.1892      15
                                                 3.1543      16
                                                 3.1542      16
   14    O                   3.432        9
                                                 2.5157      12
                                                 2.5002      13
                                                 2.8352      21
                                                 2.6014      14
                                                 2.9351      14
                                                 3.0328      22
                                                 3.0811      15
                                                 2.821       14
                                                 2.7602      21
   15    O                   3.432       10
                                                 2.7141      16
                                                 2.6269      17
                                                 2.7322      20
                                                 3.1554      21
                                                 2.6269      17
                                                 3.1554      21
                                                 3.1893      13
                                                 3.1892      13
                                                 3.0811      14
                                                 3.0811      14
   16    O                   3.432       10
                                                 2.7141      15
                                                 2.5714      17
                                                 2.7781      16
                                                 2.7781      16
                                                 3.0192      23
                                                 2.5713      17
                                                 3.1543      13
                                                 3.2536      18
                                                 3.1542      13
                                                 3.2535      18
   17    O                   3.432        8
                                                 2.6269      15
                                                 2.5714      16
                                                 2.6284      18
                                                 2.5773      19
                                                 2.7561      23
                                                 2.5951      17
                                                 2.6578      17
                                                 3.3436      12
   18    O                   3.432        9
                                                 2.6284      17
                                                 2.6933      19
                                                 3.4204      18
                                                 3.4204      18
                                                 2.656       23
                                                 2.6569      23
                                                 2.6284      17
                                                 3.2536      16
                                                 3.2535      16
   19    O                   3.432        9
                                                 2.5773      17
                                                 2.6933      18
                                                 2.9948      19
                                                 2.9948      19
                                                 2.5773      17
                                                 3.3944      12
                                                 3.2431      19
                                                 3.3944      12
                                                 3.2431      19
   20   O    ,O              3.432       15
                                                 2.7322      15
                                                 2.3163      21
                                                 2.7322      15
                                                 2.7323      15
                                                 2.3162      21
                                                 2.3163      21
                                                 2.3163      21
                                                 2.3162      21
                                                 2.3163      21
                                                 2.5351      21
                                                 2.5351      21
                                                 2.5352      21
                                                 2.5351      21
                                                 2.5351      21
                                                 2.5352      21
   21   O    ,O              3.432       16
                                                 3.1554      15
                                                 2.3163      20
                                                 2.6445      21
                                                 2.6445      21
                                                 2.835       14
                                                 1.7531      21
                                                 3.0417      21
                                                 1.2886      21
                                                 2.5351      20
                                                 3.0666      21
                                                 1.5525      21
                                                 1.5527      21
                                                 2.516       21
                                                 0.3892      21
                                                 2.7827      21
                                                 2.7601      14
   22    OH                  3.48         9
                                                 2.8179      13
                                                 2.8178      13
                                                 2.8179      13
                                                 3.0328      14
                                                 3.0329      14
                                                 3.0329      14
                                                 3.0328      14
                                                 3.0329      14
                                                 3.0329      14
   23   H(2)O,H(2)O          3.6         10
                                                 3.0188      16
                                                 2.7557      17
                                                 2.656       18
                                                 2.6567      18
                                                 2.7562      17
                                                 3.0218      16
                                                 2.7586      17
                                                 2.6563      18
                                                 2.6557      18
                                                 2.7581      17

  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   0   0   3  3.383   6.765   0.033  571.51    2      550.9     1867.8
    2   1   0   1  5.778  11.557   0.056  194.33    6      133.4      111.7
    3   1   0  -2  6.101  12.203   0.059  174.07    6      284.4      454.9
    4   0   0   6  6.777  13.554   0.066  140.66    2      586.0      520.2
    5   1   0   4  7.253  14.506   0.071  122.52    6      282.0      314.8
    6   1   0  -5  8.011  16.021   0.078  100.04    6      312.2      315.1
    7   1   0   7  9.754  19.508   0.095   66.76    6      146.1       46.0
    8   1   1   0  9.847  19.695   0.096   65.46    6       67.9        9.8
    9   0   0   9 10.196  20.391   0.099   60.92    2      433.4      123.2
   10   1   1   3 10.423  20.846   0.101   58.2    12      302.7      344.6
   11   1   0  -8 10.705  21.411   0.104   55.06    6       88.1       13.8
   12   2   0  -1 11.447  22.894   0.111   47.89    6      379.5      222.8
   13   2   0   2 11.617  23.233   0.113   46.44    6      165.8       41.3
   14   1   1   6 11.993  23.985   0.116   43.44   12        8.2        0.2
   15   2   0  -4 12.273  24.547   0.119   41.39    6      145.7       28.4
   16   1   0  10 12.713  25.426   0.123   38.43    6      380.2      179.5
   17   2   0   5 12.745  25.49    0.123   38.23    6      306.1      115.7
   18   0   0  12 13.651  27.302   0.132   33.06    2       25.2        0.2
   19   1   0 -11 13.757  27.515   0.133   32.52    6      274.5       79.2
   20   2   0  -7 13.93   27.86    0.135   31.67    6      610.8      381.8
   21   1   1   9 14.249  28.498   0.138   30.18   12      225.5       99.2
   22   2   0   8 14.625  29.251   0.141   28.55    6      290.9       78.1
   23   2   1   1 15.188  30.376   0.146   26.33   12      176.4       53.0
   24   2   1  -2 15.319  30.638   0.148   25.85   12      315.9      166.7
   25   2   1   4 15.833  31.666   0.153   24.08   12      882.2     1210.9
   26   1   0  13 15.907  31.815   0.153   23.84    6      372.2      106.7
   27   2   0 -10 16.183  32.367   0.156   22.97    6      706.9      370.8
   28   2   1  -5 16.209  32.418   0.156   22.89   12      375.0      208.0
   29   1   1  12 16.946  33.891   0.163   20.79   12      446.4      267.6
   30   1   0 -14 17.009  34.017   0.164   20.62    6      343.4       78.6
   31   2   0  11 17.033  34.066   0.164   20.55    6      308.9       63.4
   32   0   0  15 17.158  34.317   0.165   20.23    2       16.5        0.1
   33   2   1   7 17.176  34.351   0.165   20.18   12      332.9      144.6
   34   3   0   0 17.231  34.462   0.166   20.04    6      354.9       81.6
   35   3   0  -3 17.58   35.161   0.169   19.18    6        7.7        0.0
   36   3   0   3 17.58   35.161   0.169   19.18    6      682.8      289.0
   37   2   1  -8 17.756  35.512   0.17    18.77   12      578.7      406.2
   38   3   0  -6 18.594  37.188   0.178   16.96    6      281.3       43.4
   39   3   0   6 18.594  37.188   0.178   16.96    6      478.1      125.3
   40   2   0 -13 18.848  37.697   0.181   16.46    6     1517.7     1225.3
   41   2   1  10 19.087  38.174   0.183   16.01   12      332.2      114.2
   42   1   0  16 19.257  38.514   0.184   15.7     6      548.0      152.3
   43   2   0  14 19.806  39.613   0.189   14.75    6      537.0      137.4
   44   2   1 -11 19.828  39.656   0.19    14.72   12      242.2       55.8
   45   1   1  15 19.938  39.876   0.191   14.54   12       19.2        0.3
   46   2   2   0 20.002  40.004   0.191   14.43    6     1469.7     1007.3
   47   3   0  -9 20.187  40.373   0.193   14.14    6      310.4       44.0
   48   3   0   9 20.187  40.373   0.193   14.14    6      562.2      144.4
   49   2   2   3 20.31   40.62    0.194   13.95   12       84.3        6.4
   50   1   0 -17 20.403  40.806   0.195   13.81    6       70.7        2.2
   51   0   0  18 20.733  41.466   0.198   13.32    2       59.1        0.5
   52   3   1  -1 20.889  41.778   0.199   13.1    12      168.5       24.1
   53   3   1   2 20.989  41.977   0.2     12.96   12      225.2       42.5
   54   2   2   6 21.213  42.426   0.202   12.66   12      165.9       22.5
   55   3   1  -4 21.383  42.767   0.204   12.43   12      181.9       26.6
   56   2   1  13 21.441  42.882   0.204   12.36   12       12.4        0.1
   57   3   1   5 21.675  43.351   0.206   12.06   12       78.5        4.8
   58   2   0 -16 21.809  43.618   0.208   11.89    6       14.9        0.1
   59   3   0 -12 22.256  44.512   0.212   11.36    6      694.7      177.2
   60   3   0  12 22.256  44.512   0.212   11.36    6      392.3       56.5
   61   2   1 -14 22.306  44.613   0.212   11.3    12      100.9        7.4
   62   3   1  -7 22.44   44.879   0.213   11.15   12      356.9       91.8
   63   2   2   9 22.652  45.304   0.215   10.92   12       28.4        0.6
   64   1   0  19 22.737  45.475   0.216   10.83    6      359.6       45.2
   65   2   0  17 22.85   45.699   0.217   10.71    6      282.9       27.7
   66   3   1   8 22.907  45.814   0.218   10.65   12      200.7       27.7
   67   1   1  18 23.151  46.303   0.22    10.39   12       15.6        0.2
   68   4   0   1 23.294  46.589   0.221   10.25    6       51.0        0.9
   69   4   0  -2 23.386  46.771   0.222   10.16    6      128.5        5.4
   70   4   0   4 23.749  47.497   0.225    9.81    6      430.7       58.8
   71   1   0 -20 23.926  47.852   0.227    9.65    6      310.0       30.0
   72   3   1 -10 24.0    47.999   0.227    9.58   12      208.4       26.9
   73   4   0  -5 24.018  48.036   0.228    9.56    6       44.7        0.6
   74   2   1  16 24.141  48.283   0.229    9.45   12      142.9       12.5
   75   0   0  21 24.395  48.789   0.231    9.23    2      635.7       40.2
   76   2   2  12 24.555  49.111   0.232    9.09   12      220.8       28.7
   77   3   1  11 24.62   49.24    0.233    9.04   12      143.0       11.9
   78   3   0 -15 24.713  49.425   0.234    8.96    6      380.3       41.9
   79   3   0  15 24.713  49.425   0.234    8.96    6      775.6      174.2
   80   4   0   7 24.726  49.451   0.234    8.95    6      236.0       16.1
   81   2   0 -19 25.002  50.005   0.236    8.73    6      494.4       68.9
   82   2   1 -17 25.107  50.214   0.237    8.65   12      353.3       69.7
   83   4   0  -8 25.16   50.32    0.238    8.6     6      725.1      146.2
   84   3   2   1 25.522  51.043   0.241    8.33   12      199.7       21.5
   85   3   2  -2 25.607  51.214   0.242    8.27   12      386.3       79.7
   86   3   2   4 25.947  51.893   0.245    8.02   12       55.1        1.6
   87   3   1 -13 25.996  51.993   0.245    7.99   12      327.4       55.3
   88   2   0  20 26.113  52.226   0.246    7.91    6      811.8      168.3
   89   4   0  10 26.182  52.364   0.247    7.86    6      200.3       10.2
   90   3   2  -5 26.199  52.399   0.247    7.85   12      554.8      156.1
   91   1   0  22 26.347  52.694   0.248    7.75    6      373.8       35.0
   92   1   1  21 26.553  53.106   0.25     7.61   12      234.5       27.1
   93   3   1  14 26.748  53.496   0.252    7.48   12        8.4        0.0
   94   4   0 -11 26.765  53.53    0.252    7.47    6      265.2       17.0
   95   2   2  15 26.853  53.705   0.252    7.42   12      116.4        6.5
   96   3   2   7 26.865  53.729   0.253    7.41   12        1.4        0.0
   97   4   1   0 26.904  53.807   0.253    7.39   12      192.8       17.7
   98   2   1  19 27.126  54.252   0.255    7.25   12      380.2       67.7
   99   4   1  -3 27.15   54.3     0.255    7.23   12      297.0       41.2
  100   4   1   3 27.15   54.3     0.255    7.23   12       67.7        2.1
  101   3   2  -8 27.275  54.55    0.256    7.16   12      643.8      191.7
  102   3   0 -18 27.49   54.981   0.258    7.03    6      531.2       64.1
  103   3   0  18 27.49   54.981   0.258    7.03    6      686.8      107.2
  104   1   0 -23 27.581  55.162   0.259    6.98    6      322.5       23.5
  105   4   1  -6 27.88   55.76    0.261    6.81   12      203.5       18.2
  106   4   1   6 27.88   55.76    0.261    6.81   12      350.9       54.2
  107   4   0  13 28.067  56.133   0.263    6.71    6     1364.1      403.4
  108   0   0  24 28.166  56.331   0.264    6.66    2      524.9       19.7
  109   2   1 -20 28.177  56.355   0.264    6.65   12        5.8        0.0
  110   3   2  10 28.243  56.486   0.265    6.61   12      275.8       32.5
  111   3   1 -16 28.369  56.739   0.266    6.55   12      372.0       58.6
  112   2   0 -22 28.4    56.8     0.266    6.53    6      130.3        3.6
  113   4   0 -14 28.781  57.563   0.269    6.34    6      244.6       12.3
  114   3   2 -11 28.798  57.595   0.269    6.33   12      707.0      204.4
  115   4   1  -9 29.07   58.14    0.272    6.2    12      494.8       98.0
  116   4   1   9 29.07   58.14    0.272    6.2    12      336.5       45.3
  117   3   1  17 29.236  58.471   0.273    6.12   12       12.7        0.1
  118   2   2  18 29.49   58.979   0.275    6.0    12       14.3        0.1
  119   2   0  23 29.576  59.153   0.276    5.96    6      853.7      140.4
  120   5   0  -1 29.61   59.221   0.276    5.95    6      439.3       37.1
  121   5   0   2 29.688  59.375   0.277    5.91    6      634.1       76.8
  122   5   0  -4 29.996  59.991   0.279    5.78    6     1088.8      221.2
  123   3   2  13 30.041  60.082   0.28     5.76   12      470.7       82.4
  124   1   0  25 30.1    60.199   0.28     5.73    6      106.0        2.1
  125   1   1  24 30.136  60.271   0.281    5.72   12      222.8       18.3
  126   5   0   5 30.226  60.451   0.281    5.68    6      633.3       73.6
  127   4   0  16 30.331  60.662   0.282    5.63    6      554.2       55.9
  128   2   1  22 30.36   60.721   0.283    5.62   12      213.8       16.6
  129   3   0 -21 30.548  61.097   0.284    5.54    6      557.2       55.6
  130   3   0  21 30.548  61.097   0.284    5.54    6      378.9       25.7
  131   4   1 -12 30.687  61.373   0.285    5.49   12      201.5       14.4
  132   4   1  12 30.687  61.373   0.285    5.49   12      388.0       53.4
  133   3   2 -14 30.727  61.453   0.286    5.47   12      538.7      102.6
  134   5   0  -7 30.833  61.667   0.287    5.43    6      560.3       55.1
  135   3   3   0 30.869  61.738   0.287    5.42    6     1034.0      187.2
  136   3   1 -19 31.073  62.146   0.289    5.34   12        8.0        0.0
  137   3   3   3 31.095  62.19    0.289    5.33   12      273.3       25.7
  138   4   0 -17 31.163  62.327   0.289    5.31    6      153.9        4.1
  139   5   0   8 31.21   62.419   0.29     5.29    6      715.8       87.6
  140   1   0 -26 31.386  62.772   0.291    5.22    6      109.9        2.0
  141   2   1 -23 31.491  62.983   0.292    5.18   12      236.3       18.7
  142   4   2  -1 31.524  63.049   0.292    5.17   12      207.8       14.4
  143   4   2   2 31.599  63.198   0.293    5.15   12       81.7        2.2
  144   3   3   6 31.767  63.535   0.294    5.09   12      375.1       46.3
  145   4   2  -4 31.896  63.792   0.295    5.04   12      174.5        9.9
  146   2   0 -25 31.996  63.993   0.296    5.01    6      322.7       16.8
  147   3   1  20 32.042  64.084   0.297    4.99   12      261.1       22.0
  148   0   0  27 32.075  64.149   0.297    4.98    2      626.8       21.1
  149   5   0 -10 32.103  64.205   0.297    4.97    6      428.9       29.5
  150   4   2   5 32.118  64.236   0.297    4.97   12       42.0        0.6
  151   3   2  16 32.22   64.44    0.298    4.93   12      836.9      223.2
  152   2   2  21 32.43   64.86    0.3      4.86   12       13.8        0.1
  153   5   0  11 32.617  65.235   0.301    4.8     6      404.8       25.4
  154   4   1 -15 32.695  65.39    0.302    4.78   12      298.8       27.6
  155   4   1  15 32.695  65.39    0.302    4.78   12      221.0       15.1
  156   4   2  -7 32.706  65.411   0.302    4.78   12       42.6        0.6
  157   3   3   9 32.871  65.742   0.303    4.72   12       85.0        2.2
  158   4   0  19 32.938  65.875   0.304    4.7     6      198.2        6.0
  159   3   2 -17 33.025  66.051   0.305    4.68   12      567.9       97.5
  160   4   2   8 33.07   66.14    0.305    4.66   12      378.5       43.2
  161   2   0  26 33.241  66.482   0.306    4.61    6      822.9      100.9
  162   5   1   1 33.375  66.75    0.308    4.57   12      201.7       12.0
  163   5   1  -2 33.448  66.895   0.308    4.55   12      141.7        5.9
  164   5   1   4 33.736  67.472   0.31     4.47   12      146.8        6.2
  165   5   0 -13 33.778  67.557   0.311    4.46    6       56.6        0.5
  166   2   1  25 33.834  67.667   0.311    4.44   12      792.9      180.5
  167   3   0 -24 33.867  67.735   0.312    4.43    6      529.2       40.1
  168   3   0  24 33.867  67.735   0.312    4.43    6      111.8        1.8
  169   4   0 -20 33.878  67.756   0.312    4.43    6      415.9       24.8
  170   1   1  27 33.91   67.819   0.312    4.42   12      240.5       16.5
  171   4   2 -10 33.937  67.874   0.312    4.42   12       22.4        0.1
  172   5   1  -5 33.952  67.903   0.312    4.41   12      173.0        8.5
  173   1   0  28 34.019  68.039   0.313    4.39    6      456.2       29.5
  174   3   1 -22 34.078  68.157   0.313    4.38   12      114.0        3.7
  175   3   3  12 34.385  68.77    0.316    4.3    12      498.7       69.1
  176   5   0  14 34.423  68.846   0.316    4.29    6      122.9        2.1
  177   4   2  11 34.438  68.875   0.316    4.28   12      255.6       18.1
  178   5   1   7 34.523  69.047   0.317    4.26   12      263.2       19.1
  179   3   2  19 34.749  69.499   0.319    4.21   12      476.8       61.8
  180   5   1  -8 34.879  69.757   0.32     4.17   12      107.6        3.1
  181   2   1 -26 35.045  70.091   0.321    4.13   12      252.1       17.0
  182   4   1 -18 35.066  70.132   0.321    4.13   12      350.8       32.8
  183   4   1  18 35.066  70.132   0.321    4.13   12      240.0       15.4
  184   3   1  23 35.145  70.29    0.322    4.11   12       64.4        1.1
  185   1   0 -29 35.369  70.738   0.324    4.06    6      157.1        3.2
  186   4   2 -13 35.57   71.139   0.325    4.01   12      520.4       70.2
  187   2   2  24 35.657  71.313   0.326    3.99   12      184.4        8.8
  188   3   2 -20 35.667  71.334   0.326    3.99   12      226.6       13.2
  189   5   1  10 35.725  71.449   0.326    3.98   12      206.8       11.0
  190   2   0 -28 35.805  71.61    0.327    3.96    6      102.0        1.3
  191   5   0 -16 35.836  71.672   0.327    3.95    6       41.9        0.2
  192   4   0  22 35.863  71.725   0.327    3.95    6      196.5        4.9
  193   0   0  30 36.159  72.318   0.33     3.89    2      384.4        6.2
  194   4   2  14 36.2    72.399   0.33     3.88   12       50.2        0.6
  195   5   1 -11 36.214  72.428   0.33     3.87   12      378.7       35.9
  196   3   3  15 36.288  72.576   0.331    3.86   12       89.5        2.0
  197   6   0   0 36.331  72.662   0.331    3.85    6      537.3       35.9
  198   6   0  -3 36.54   73.079   0.333    3.81    6      417.9       21.5
  199   6   0   3 36.54   73.079   0.333    3.81    6      141.0        2.4
  200   5   0  17 36.603  73.206   0.333    3.8     6      183.6        4.1
  201   4   0 -23 36.907  73.814   0.336    3.74    6      251.4        7.6
  202   4   3   1 36.937  73.875   0.336    3.73   12        3.5        0.0
  203   4   3  -2 37.007  74.013   0.336    3.72   12      118.5        3.4
  204   2   0  29 37.127  74.253   0.337    3.7     6      187.1        4.2
  205   6   0  -6 37.163  74.326   0.338    3.69    6      287.0        9.8
  206   6   0   6 37.163  74.326   0.338    3.69    6      103.2        1.3
  207   4   3   4 37.283  74.566   0.339    3.67   12      634.3       95.4
  208   5   1  13 37.323  74.647   0.339    3.66   12      382.8       34.7
  209   3   1 -25 37.376  74.752   0.339    3.65   12       11.2        0.0
  210   3   0 -27 37.449  74.898   0.34     3.64    6      596.3       41.8
  211   3   0  27 37.449  74.898   0.34     3.64    6      321.2       12.1
  212   4   3  -5 37.49   74.979   0.34     3.63   12      273.6       17.6
  213   2   1  28 37.555  75.109   0.341    3.62   12       40.0        0.4
  214   4   2 -16 37.585  75.169   0.341    3.61   12      510.7       60.9
  215   3   2  22 37.611  75.222   0.341    3.61   12      551.8       71.0
  216   4   1 -21 37.781  75.562   0.342    3.58   12      202.2        9.5
  217   4   1  21 37.781  75.562   0.342    3.58   12       64.4        1.0
  218   1   1  30 37.902  75.804   0.343    3.56   12       94.3        2.0
  219   5   1 -14 37.942  75.884   0.344    3.55   12      211.6       10.3
  220   4   3   7 38.039  76.078   0.344    3.54   12      225.5       11.6
  221   5   2   0 38.071  76.142   0.345    3.53   12      220.9       11.1
  222   1   0  31 38.144  76.288   0.345    3.52    6      168.2        3.2
  223   6   0  -9 38.194  76.388   0.346    3.51    6      197.2        4.4
  224   6   0   9 38.194  76.388   0.346    3.51    6      124.3        1.8
  225   5   0 -19 38.256  76.513   0.346    3.5     6      433.2       21.2
  226   5   2  -3 38.276  76.553   0.346    3.5    12      122.5        3.4
  227   5   2   3 38.276  76.553   0.346    3.5    12      601.3       81.8
  228   4   2  17 38.339  76.677   0.347    3.49   12      128.4        3.7
  229   4   3  -8 38.381  76.762   0.347    3.48   12      396.8       35.4
  230   3   1  26 38.542  77.083   0.348    3.46   12      164.4        6.0
  231   3   3  18 38.562  77.123   0.348    3.45   12      138.8        4.3
  232   3   2 -23 38.638  77.276   0.349    3.44   12      239.7       12.8
  233   2   1 -29 38.854  77.709   0.351    3.41   12      581.8       74.6
  234   5   2  -6 38.89   77.78    0.351    3.41   12      221.2       10.8
  235   5   2   6 38.89   77.78    0.351    3.41   12      407.9       36.6
  236   4   0  25 39.1    78.2     0.353    3.38    6       96.6        1.0
  237   5   0  20 39.142  78.284   0.353    3.37    6      165.5        3.0
  238   2   2  27 39.172  78.344   0.353    3.36   12      406.9       36.0
  239   4   3  10 39.198  78.396   0.353    3.36   12      241.3       12.7
  240   5   1  16 39.306  78.611   0.354    3.35   12      238.7       12.3
  241   1   0 -32 39.573  79.146   0.356    3.31    6      431.1       19.9
  242   6   0 -12 39.622  79.245   0.356    3.3     6      239.3        6.1
  243   6   0  12 39.622  79.245   0.356    3.3     6      316.3       10.7
  244   4   3 -11 39.672  79.344   0.357    3.3    12      266.5       15.1
  245   2   0 -31 39.857  79.715   0.358    3.27    6       64.7        0.4
  246   5   2  -9 39.907  79.814   0.359    3.27   12      292.7       18.1
  247   5   2   9 39.907  79.814   0.359    3.27   12      741.7      116.1
  248   4   2 -19 39.968  79.937   0.359    3.26   12       42.0        0.4
  249   5   1 -17 40.05   80.1     0.36     3.25   12      204.8        8.8
  250   4   0 -26 40.25   80.501   0.361    3.22    6      484.4       24.4
  251   6   1  -1 40.375  80.75    0.362    3.21   12       99.3        2.0
  252   6   1   2 40.442  80.885   0.363    3.2    12       99.1        2.0
  253   0   0  33 40.468  80.937   0.363    3.2     2      910.5       28.6
  254   6   1  -4 40.712  81.423   0.365    3.17   12        8.9        0.0
  255   4   3  13 40.751  81.502   0.365    3.17   12       27.6        0.2
  256   3   2  25 40.803  81.605   0.365    3.16   12      133.3        3.6
  257   4   1 -24 40.834  81.669   0.366    3.16   12      209.2        8.9
  258   4   1  24 40.834  81.669   0.366    3.16   12      402.7       33.1
  259   4   2  20 40.844  81.688   0.366    3.16   12      173.0        6.1
  260   6   1   5 40.913  81.826   0.366    3.15   12       65.4        0.9
  261   3   1 -28 40.977  81.953   0.367    3.14   12      270.3       14.8
  262   5   0 -22 41.032  82.064   0.367    3.13    6      420.5       17.9
  263   3   3  21 41.198  82.395   0.368    3.12   12      262.9       13.9
  264   2   0  32 41.271  82.541   0.369    3.11    6      397.1       15.8
  265   3   0 -30 41.316  82.632   0.369    3.1     6      225.2        5.1
  266   3   0  30 41.316  82.632   0.369    3.1     6      113.3        1.3
  267   5   2 -12 41.32   82.64    0.369    3.1    12      416.5       34.8
  268   5   2  12 41.32   82.64    0.369    3.1    12       59.2        0.7
  269   4   3 -14 41.355  82.711   0.369    3.1    12       69.5        1.0
  270   6   0 -15 41.44   82.88    0.37     3.09    6      362.9       13.2
  271   6   0  15 41.44   82.88    0.37     3.09    6      333.8       11.1
  272   6   1  -7 41.45   82.9     0.37     3.09   12      171.3        5.9
  273   2   1  31 41.553  83.105   0.371    3.08   12      320.4       20.4
  274   5   1  19 41.663  83.325   0.372    3.07   12      375.0       27.9
  275   6   1   8 41.785  83.569   0.372    3.06   12      174.1        6.0
  276   3   2 -26 41.942  83.884   0.374    3.04   12       58.8        0.7
  277   5   0  23 42.037  84.073   0.374    3.03    6      438.8       18.9
  278   1   1  33 42.159  84.317   0.375    3.02   12       10.9        0.0
  279   3   1  29 42.249  84.498   0.376    3.02   12        1.1        0.0
  280   1   0  34 42.528  85.055   0.378    2.99    6       51.8        0.3
  281   5   1 -20 42.531  85.063   0.378    2.99   12      402.0       31.2
  282   6   1 -10 42.586  85.173   0.378    2.99   12        3.7        0.0
  283   4   0  28 42.663  85.326   0.379    2.98    6      144.6        2.0
  284   4   3  16 42.692  85.385   0.379    2.98   12      161.5        5.0
  285   4   2 -22 42.718  85.436   0.379    2.98   12      139.4        3.7
  286   2   1 -32 42.955  85.911   0.381    2.96   12      187.1        6.7
  287   2   2  30 43.0    86.001   0.381    2.95   12      120.0        2.8
  288   6   1  11 43.053  86.106   0.382    2.95   12       16.8        0.1
  289   5   2 -15 43.124  86.247   0.382    2.94   12      281.4       15.1
  290   5   2  15 43.124  86.247   0.382    2.94   12      405.1       31.2
  291   4   4   0 43.165  86.33    0.382    2.94    6      880.8       73.7
  292   4   4   3 43.365  86.729   0.384    2.93   12      415.8       32.7
  293   4   3 -17 43.425  86.851   0.384    2.92   12      167.5        5.3
  294   6   0 -18 43.643  87.286   0.386    2.91    6      262.3        6.5
  295   6   0  18 43.643  87.286   0.386    2.91    6      437.1       18.0
  296   4   2  23 43.717  87.434   0.386    2.9    12      237.6       10.6
  297   5   3  -1 43.746  87.493   0.387    2.9    12      368.8       25.5
  298   7   0   1 43.746  87.493   0.387    2.9     6       37.3        0.1
  299   5   3   2 43.813  87.626   0.387    2.9    12      338.1       21.4
  300   7   0  -2 43.813  87.626   0.387    2.9     6      228.5        4.9
  301   4   0 -29 43.929  87.857   0.388    2.89    6      649.4       39.4
  302   4   4   6 43.964  87.927   0.388    2.89   12      167.1        5.2
  303   1   0 -35 44.06   88.12    0.389    2.88    6      199.5        3.7
  304   5   3  -4 44.079  88.158   0.389    2.88   12      283.8       15.0
  305   7   0   4 44.079  88.158   0.389    2.88    6      278.3        7.2
  306   6   1 -13 44.118  88.237   0.389    2.88   12      150.7        4.2
  307   5   0 -25 44.169  88.339   0.389    2.87    6      649.1       39.1
  308   3   3  24 44.201  88.401   0.39     2.87   12      274.1       13.9
  309   2   0 -34 44.207  88.413   0.39     2.87    6      224.9        4.7
  310   4   1 -27 44.24   88.479   0.39     2.87   12       49.1        0.4
  311   4   1  27 44.24   88.479   0.39     2.87   12      261.4       12.7
  312   5   3   5 44.279  88.557   0.39     2.87   12       19.9        0.1
  313   7   0  -5 44.279  88.557   0.39     2.87    6      391.8       14.2
  314   3   2  28 44.341  88.683   0.391    2.86   12      563.4       58.7
  315   5   1  22 44.396  88.792   0.391    2.86   12      127.0        3.0
  316   6   1  14 44.717  89.434   0.393    2.84   12       44.9        0.4
  317   5   3  -7 44.811  89.621   0.394    2.84   12      599.9       66.0
  318   7   0   7 44.811  89.621   0.394    2.84    6      146.5        2.0
  319   3   1 -31 44.913  89.825   0.395    2.83   12      145.3        3.9
  320   4   4   9 44.961  89.923   0.395    2.83   12       29.9        0.2


  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   0   0   3   3.383   6.765 15.15967     1867.8    100.0    100.0     5.5
    2   1   0   1   5.778  11.557  8.88411      111.7      6.0      6.0     5.6
    3   1   0   2   6.101  12.203  8.41546      454.9     24.4     24.3     5.6
    4   0   0   6   6.777  13.554  7.57983      520.2     27.9     27.7     5.6
    5   1   0   4   7.253  14.506  7.08488      314.8     16.9     16.8     5.6
    6   1   0   5   8.011  16.021  6.41852      315.1     16.9     16.8     5.6
    7   1   0   7   9.754  19.508  5.2795        46.0      2.5      2.4     5.6
    8   0   0   9  10.196  20.391  5.05322      123.2      6.6      6.5     5.6
    9   1   1   3  10.423  20.846  4.94405      344.6     18.4     18.3     5.6
   10   2   0   1  11.447  22.894  4.50702      222.8     11.9     11.8     5.6
   11   2   0   2  11.617  23.233  4.44205       41.3      2.2      2.2     5.6
   12   2   0   4  12.273  24.547  4.20773       28.4      1.5      1.5     5.6
   13   1   0  10  12.713  25.426  4.06442      179.5      9.6      9.5     5.6
   14   2   0   5  12.745  25.49   4.05445      115.7      6.2      6.1     5.6
   15   1   0  11  13.757  27.515  3.76122       79.2      4.2      4.2     5.6
   16   2   0   7  13.93   27.86   3.71554      381.8     20.4     20.2     5.6
   17   1   1   9  14.249  28.498  3.63406       99.2      5.3      5.2     5.6
   18   2   0   8  14.625  29.251  3.54244       78.1      4.2      4.1     5.6
   19   2   1   1  15.188  30.376  3.41418       53.0      2.8      2.8     5.6
   20   2   1   2  15.319  30.638  3.38568      166.7      8.9      8.8     5.6
   21   2   1   4  15.833  31.666  3.27842     1210.9     64.8     63.7     5.6
   22   1   0  13  15.907  31.815  3.26347      106.7      5.7      5.6     5.6
   23   2   0  10  16.183  32.367  3.20926      578.8     31.0     30.5     5.6
   24   1   1  12  16.946  33.891  3.06887      267.6     14.3     14.1     5.7
   25   1   0  14  17.009  34.017  3.05783      141.9      7.6      7.5     5.7
   26   2   1   7  17.176  34.351  3.02898      144.6      7.7      7.6     5.7
   27   3   0   0  17.231  34.462  3.01954       81.6      4.4      4.3     5.7
   28   3   0   3  17.58   35.161  2.96137      289.0     15.5     15.2     5.7
   29   2   1   8  17.756  35.512  2.93297      406.2     21.7     21.3     5.7
   30   3   0   6  18.594  37.188  2.80515      168.6      9.0      8.8     5.7
   31   2   0  13  18.848  37.697  2.76867     1225.3     65.6     64.2     5.7
   32   2   1  10  19.087  38.174  2.73534      114.2      6.1      6.0     5.7
   33   1   0  16  19.257  38.514  2.71206      152.3      8.2      8.0     5.7
   34   2   0  14  19.806  39.613  2.63975      193.2     10.3     10.1     5.7
   35   2   2   0  20.002  40.004  2.615       1007.3     53.9     52.6     5.7
   36   3   0   9  20.187  40.373  2.59204      188.4     10.1      9.8     5.7
   37   3   1   1  20.889  41.778  2.50859       24.1      1.3      1.3     5.7
   38   3   1   2  20.989  41.977  2.49721       42.5      2.3      2.2     5.7
   39   2   2   6  21.213  42.426  2.47202       22.5      1.2      1.2     5.7
   40   3   1   4  21.383  42.767  2.45323       26.6      1.4      1.4     5.7
   41   3   0  12  22.256  44.512  2.36163      233.7     12.5     12.2     5.7
   42   3   1   7  22.44   44.879  2.3433        91.8      4.9      4.8     5.7
   43   1   0  19  22.737  45.475  2.3142        45.2      2.4      2.4     5.7
   44   2   0  17  22.85   45.699  2.30344       27.7      1.5      1.4     5.7
   45   3   1   8  22.907  45.814  2.298         27.7      1.5      1.4     5.7
   46   4   0   4  23.749  47.497  2.22103       58.8      3.1      3.0     5.7
   47   1   0  20  23.926  47.852  2.20552       30.0      1.6      1.6     5.7
   48   3   1  10  24.0    47.999  2.19915       27.5      1.5      1.4     5.7
   49   0   0  21  24.395  48.789  2.16567       40.2      2.2      2.1     5.7
   50   2   2  12  24.555  49.111  2.15237       28.7      1.5      1.5     5.7
   51   3   0  15  24.713  49.425  2.13951      232.2     12.4     12.0     5.7
   52   2   0  19  25.002  50.005  2.11628       68.9      3.7      3.6     5.7
   53   2   1  17  25.107  50.214  2.10804       69.7      3.7      3.6     5.8
   54   4   0   8  25.16   50.32   2.10386      146.2      7.8      7.5     5.8
   55   3   2   1  25.522  51.043  2.07603       21.5      1.1      1.1     5.8
   56   3   2   2  25.607  51.214  2.06957       79.7      4.3      4.1     5.8
   57   3   1  13  25.996  51.993  2.04068       55.3      3.0      2.9     5.8
   58   2   0  20  26.113  52.226  2.03221      168.3      9.0      8.7     5.8
   59   3   2   5  26.199  52.399  2.02598      166.3      8.9      8.6     5.8
   60   1   0  22  26.347  52.694  2.01541       35.0      1.9      1.8     5.8
   61   1   1  21  26.553  53.106  2.00091       27.1      1.4      1.4     5.8
   62   2   1  19  27.126  54.252  1.96176      111.1      5.9      5.7     5.8
   63   3   2   8  27.275  54.55   1.95186      191.7     10.3      9.9     5.8
   64   3   0  18  27.49   54.981  1.93773      171.3      9.2      8.8     5.8
   65   1   0  23  27.581  55.162  1.93186       23.5      1.3      1.2     5.8
   66   4   1   6  27.88   55.76   1.91278       72.4      3.9      3.7     5.8
   67   4   0  13  28.067  56.133  1.90109      403.4     21.6     20.7     5.8
   68   0   0  24  28.166  56.331  1.89496       19.8      1.1      1.0     5.8
   69   3   2  10  28.243  56.486  1.8902        32.5      1.7      1.7     5.8
   70   3   1  16  28.369  56.739  1.88246       58.6      3.1      3.0     5.8
   71   3   2  11  28.798  57.595  1.85682      216.7     11.6     11.1     5.8
   72   4   1   9  29.07   58.14   1.84091      143.4      7.7      7.3     5.8
   73   2   0  23  29.576  59.153  1.81218      140.4      7.5      7.2     5.8
   74   5   0   1  29.61   59.221  1.81029       37.1      2.0      1.9     5.8
   75   5   0   2  29.688  59.375  1.806         76.8      4.1      3.9     5.8
   76   5   0   4  29.996  59.991  1.78915      221.2     11.8     11.3     5.8
   77   3   2  13  30.041  60.082  1.78671       82.4      4.4      4.2     5.8
   78   5   0   5  30.226  60.451  1.77682       73.6      3.9      3.7     5.8
   79   4   0  16  30.331  60.662  1.77122       55.9      3.0      2.8     5.8
   80   3   0  21  30.548  61.097  1.75983       81.3      4.4      4.1     5.8
   81   4   1  12  30.687  61.373  1.75267       67.8      3.6      3.4     5.8
   82   3   2  14  30.727  61.453  1.75061      102.6      5.5      5.2     5.8
   83   5   0   7  30.833  61.667  1.74514       55.1      2.9      2.8     5.8
   84   3   3   0  30.869  61.738  1.74333      187.2     10.0      9.5     5.8
   85   3   3   3  31.095  62.19   1.73192       25.7      1.4      1.3     5.8
   86   5   0   8  31.21   62.419  1.72618       87.6      4.7      4.4     5.8
   87   2   1  23  31.491  62.983  1.7123        18.7      1.0      0.9     5.9
   88   3   3   6  31.767  63.535  1.69898       46.3      2.5      2.3     5.9
   89   3   1  20  32.042  64.084  1.68594       22.0      1.2      1.1     5.9
   90   5   0  10  32.103  64.205  1.68309       50.6      2.7      2.6     5.9
   91   3   2  16  32.22   64.44   1.67762      223.2     12.0     11.3     5.9
   92   5   0  11  32.617  65.235  1.6594        25.4      1.4      1.3     5.9
   93   4   1  15  32.695  65.39   1.6559        43.2      2.3      2.2     5.9
   94   3   2  17  33.025  66.051  1.64118       97.5      5.2      4.9     5.9
   95   4   2   8  33.07   66.14   1.63921       43.2      2.3      2.2     5.9
   96   2   0  26  33.241  66.482  1.63174      100.9      5.4      5.1     5.9
   97   2   1  25  33.834  67.667  1.60648      180.5      9.7      9.1     5.9
   98   3   0  24  33.867  67.735  1.60507       66.7      3.6      3.4     5.9
   99   1   0  28  34.019  68.039  1.59875       29.5      1.6      1.5     5.9
  100   3   3  12  34.385  68.77   1.58381       69.1      3.7      3.5     5.9
  101   4   2  11  34.438  68.875  1.58169       20.2      1.1      1.0     5.9
  102   5   1   7  34.523  69.047  1.57824       19.1      1.0      1.0     5.9
  103   3   2  19  34.749  69.499  1.56926       61.8      3.3      3.1     5.9
  104   4   1  18  35.066  70.132  1.55688       65.2      3.5      3.3     5.9
  105   4   2  13  35.57   71.139  1.53768       70.2      3.8      3.5     5.9
  106   3   2  20  35.667  71.334  1.53405       22.0      1.2      1.1     5.9
  107   5   1  11  36.214  72.428  1.51397       35.9      1.9      1.8     5.9
  108   6   0   0  36.331  72.662  1.50977       35.9      1.9      1.8     6.0
  109   6   0   3  36.54   73.079  1.50234       23.9      1.3      1.2     6.0
  110   4   3   4  37.283  74.566  1.47662       95.4      5.1      4.7     6.0
  111   5   1  13  37.323  74.647  1.47524       34.7      1.9      1.7     6.0
  112   3   0  27  37.449  74.898  1.47101       53.9      2.9      2.7     6.0
  113   3   2  22  37.611  75.222  1.46561      131.9      7.1      6.6     6.0
  114   5   2   3  38.276  76.553  1.44395      106.4      5.7      5.3     6.0
  115   4   3   8  38.381  76.762  1.44062       35.4      1.9      1.8     6.0
  116   2   1  29  38.854  77.709  1.42579       74.6      4.0      3.7     6.0
  117   5   2   6  38.89   77.78   1.42469       47.4      2.5      2.3     6.0
  118   2   2  27  39.172  78.344  1.41606       51.6      2.8      2.5     6.0
  119   1   0  32  39.573  79.146  1.40404       19.9      1.1      1.0     6.0
  120   5   2   9  39.907  79.814  1.39424      134.2      7.2      6.6     6.0
  121   4   0  26  40.25   80.501  1.38434       24.4      1.3      1.2     6.0
  122   0   0  33  40.468  80.937  1.37815       30.6      1.6      1.5     6.1
  123   4   1  24  40.834  81.669  1.36794       48.1      2.6      2.4     6.1
  124   5   2  12  41.32   82.64   1.35471       41.9      2.2      2.0     6.1
  125   6   0  15  41.44   82.88   1.35148       30.2      1.6      1.5     6.1
  126   2   1  31  41.553  83.105  1.34849       20.4      1.1      1.0     6.1
  127   5   1  19  41.663  83.325  1.34557       27.9      1.5      1.4     6.1
  128   5   0  23  42.037  84.073  1.3358        18.9      1.0      0.9     6.1
  129   5   1  20  42.531  85.063  1.32317       31.2      1.7      1.5     6.1
  130   5   2  15  43.124  86.247  1.3085        46.3      2.5      2.2     6.1
  131   4   4   0  43.165  86.33   1.3075        73.7      3.9      3.6     6.1
  132   4   4   3  43.365  86.729  1.30266       32.7      1.8      1.6     6.1
  133   6   0  18  43.643  87.286  1.29602       24.4      1.3      1.2     6.2
  134   5   3   1  43.746  87.493  1.29357       36.2      1.9      1.7     6.2
  135   5   3   2  43.813  87.626  1.292         26.3      1.4      1.3     6.2
  136   4   0  29  43.929  87.857  1.28929       39.4      2.1      1.9     6.2
  137   7   0   4  44.079  88.158  1.28579       25.9      1.4      1.2     6.2
  138   5   0  25  44.169  88.339  1.2837        39.1      2.1      1.9     6.2
  139   3   2  28  44.341  88.683  1.27975       58.7      3.1      2.8     6.2
  140   5   3   7  44.811  89.621  1.26916       68.0      3.6      3.3     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)