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       ***
                  ***********************
ETTRINGITE

2, t-ettringite, f-ettringite, DF

Ca(6)Al(2)[SO(4)](3)(OH)(12).27H(2)O


Hexagonal  P 31c  Z = 2

P31c

15 .6 .20

Ref.Str.:

         Gatta G.D., Halenius U., Bosi F., Canadillas-Delgado L.,

         Fernandez-Diaz M.T. (2019) * Amer. Mineral., 104, 73-78

         L: $Al2 Ca6 O51 H66 S3$

         R: Locality - NChwaning mine, Kuruman, South Africa.

         N.A.D.

                   Initial data from BDM-file 

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

             a =  11.171    alpha =   90.0 
             b =  11.171    beta  =   90.0 
             c =  21.364    gamma =  120.0 

    Unit cell volume (cub. angs.) =  2308.86

    Molar volume ( cub.cm/mol.) =   695.36

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

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

   1 0.0     0.0     0.9805   0.0    Al    = 1.00
   2 0.0     0.0     0.2327   0.0    Al    = 1.00
   3 0.0065  0.8102  0.8565   0.0    Ca    = 1.00
   4 0.9871  0.1818  0.1069   0.0    Ca    = 1.00
   5 0.3333  0.6667  0.4756   0.0    S     = 1.00
   6 0.3333  0.6667  0.4058   0.0    O     = 1.00
   7 0.1938  0.6268  0.4995   0.0    O     = 1.00
   8 0.3333  0.6667  0.7304   0.0    S     = 1.00
   9 0.3333  0.6667  0.7997   0.0    O     = 1.00
  10 0.1919  0.624   0.7076   0.0    O     = 1.00
  11 0.3333  0.6667  0.9899   0.0    S     = 1.00
  12 0.3333  0.6667  0.0596   0.0    O     = 1.00
  13 0.1934  0.5668  0.9675   0.0    O     = 1.00
  14 0.9927  0.1306  0.9271   0.0    OH    = 1.00
  15 0.0093  0.8696  0.0366   0.0    OH    = 1.00
  16 0.9986  0.1332  0.7858   0.0    OH    = 1.00
  17 0.0072  0.8694  0.1764   0.0    OH    = 1.00
  18 0.9889  0.3335  0.0249   0.0    H(2)O = 1.00
  19 0.0103  0.6626  0.9399   0.0    H(2)O = 1.00
  20 0.9943  0.3397  0.1877   0.0    H(2)O = 1.00
  21 0.9999  0.6532  0.7752   0.0    H(2)O = 1.00
  22 0.2636  0.4072  0.6055   0.0    H(2)O = 1.00
  23 0.7423  0.5948  0.3602   0.0    H(2)O = 1.00
  24 0.2392  0.4028  0.1124   0.0    H(2)O = 1.00
  25 0.755   0.5951  0.8504   0.0    H(2)O = 1.00
  26 0.9315  0.5844  0.9539   0.0    H     = 1.00
  27 0.7093  0.5455  0.4009   0.0    H     = 1.00
  28 0.0731  0.4169  0.0096   0.0    H     = 1.00
  29 0.0119  0.8     0.1988   0.0    H     = 1.00
  30 0.0151  0.8039  0.0144   0.0    H     = 1.00
  31 0.0824  0.6433  0.9442   0.0    H     = 1.00
  32 0.9175  0.3596  0.0175   0.0    H     = 1.00
  33 0.9866  0.204   0.9486   0.0    H     = 1.00
  34 0.7203  0.5167  0.8752   0.0    H     = 1.00
  35 0.0713  0.645   0.7576   0.0    H     = 1.00
  36 0.9216  0.3588  0.1971   0.0    H     = 1.00
  37 0.9216  0.5717  0.7615   0.0    H     = 1.00
  38 0.9986  0.2085  0.765    0.0    H     = 1.00
  39 0.2956  0.4639  0.639    0.0    H     = 1.00
  40 0.2975  0.4625  0.5698   0.0    H     = 1.00
  41 0.0816  0.4196  0.1963   0.0    H     = 1.00
  42 0.2965  0.3624  0.107    0.0    H     = 1.00
  43 0.695   0.6296  0.8526   0.0    H     = 1.00
  44 0.2851  0.495   0.0958   0.0    H     = 1.00
  45 0.7175  0.5153  0.3303   0.0    H     = 1.00
  46 0.1957  0.5731  0.2447   0.0    H(2)O = 0.5 , H(2)O = 0.0 
  47 0.2394  0.5344  0.2299   0.0    H(2)O = 0.5 , H(2)O = 0.0 
  48 0.2865  0.595   0.2279   0.0    H     = 0.5 , H     = 0.0 
  49 0.2579  0.476   0.2015   0.0    H     = 0.5 , H     = 0.0 
  50 0.1879  0.5244  0.2844   0.0    H     = 0.5 , H     = 0.0 
  51 0.232   0.4926  0.2712   0.0    H     = 0.5 , H     = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.9805
     2       2     0.0        0.0        0.2327
     3       3     0.0065     0.8102     0.8565
     4       4     0.9871     0.1818     0.1069
     5       5     0.3333     0.6667     0.4756
     6       6     0.3333     0.6667     0.4058
     7       7     0.1938     0.6268     0.4995
     8       8     0.3333     0.6667     0.7304
     9       9     0.3333     0.6667     0.7997
    10      10     0.1919     0.624      0.7076
    11      11     0.3333     0.6667     0.9899
    12      12     0.3333     0.6667     0.0596
    13      13     0.1934     0.5668     0.9675
    14      14     0.9927     0.1306     0.9271
    15      15     0.0093     0.8696     0.0366
    16      16     0.9986     0.1332     0.7858
    17      17     0.0072     0.8694     0.1764
    18      18     0.9889     0.3335     0.0249
    19      19     0.0103     0.6626     0.9399
    20      20     0.9943     0.3397     0.1877
    21      21     0.9999     0.6532     0.7752
    22      22     0.2636     0.4072     0.6055
    23      23     0.7423     0.5948     0.3602
    24      24     0.2392     0.4028     0.1124
    25      25     0.755      0.5951     0.8504
    26      26     0.9315     0.5844     0.9539
    27      27     0.7093     0.5455     0.4009
    28      28     0.0731     0.4169     0.0096
    29      29     0.0119     0.8        0.1988
    30      30     0.0151     0.8039     0.0144
    31      31     0.0824     0.6433     0.9442
    32      32     0.9175     0.3596     0.0175
    33      33     0.9866     0.204      0.9486
    34      34     0.7203     0.5167     0.8752
    35      35     0.0713     0.645      0.7576
    36      36     0.9216     0.3588     0.1971
    37      37     0.9216     0.5717     0.7615
    38      38     0.9986     0.2085     0.765 
    39      39     0.2956     0.4639     0.639 
    40      40     0.2975     0.4625     0.5698
    41      41     0.0816     0.4196     0.1963
    42      42     0.2965     0.3624     0.107 
    43      43     0.695      0.6296     0.8526
    44      44     0.2851     0.495      0.0958
    45      45     0.7175     0.5153     0.3303
    46      46     0.1957     0.5731     0.2447
    47      47     0.2394     0.5344     0.2299
    48      48     0.2865     0.595      0.2279
    49      49     0.2579     0.476      0.2015
    50      50     0.1879     0.5244     0.2844
    51      51     0.232      0.4926     0.2712
    52       3     0.1898     0.1963     0.8565
    53       3     0.8037     0.9935     0.8565
    54       4     0.8182     0.8053     0.1069
    55       4     0.1947     0.0129     0.1069
    56       7     0.3732     0.567      0.4995
    57       7     0.433      0.8062     0.4995
    58      10     0.376      0.5679     0.7076
    59      10     0.4321     0.8081     0.7076
    60      13     0.4332     0.6266     0.9675
    61      13     0.3734     0.8066     0.9675
    62      14     0.8694     0.8621     0.9271
    63      14     0.1379     0.0073     0.9271
    64      15     0.1304     0.1397     0.0366
    65      15     0.8603     0.9907     0.0366
    66      16     0.8668     0.8654     0.7858
    67      16     0.1346     0.0014     0.7858
    68      17     0.1306     0.1378     0.1764
    69      17     0.8622     0.9928     0.1764
    70      18     0.6665     0.6554     0.0249
    71      18     0.3446     0.0111     0.0249
    72      19     0.3374     0.3477     0.9399
    73      19     0.6523     0.9897     0.9399
    74      20     0.6603     0.6546     0.1877
    75      20     0.3454     0.0057     0.1877
    76      21     0.3468     0.3467     0.7752
    77      21     0.6533     0.0001     0.7752
    78      22     0.5928     0.8564     0.6055
    79      22     0.1436     0.7364     0.6055
    80      23     0.4052     0.1475     0.3602
    81      23     0.8525     0.2577     0.3602
    82      24     0.5972     0.8364     0.1124
    83      24     0.1636     0.7608     0.1124
    84      25     0.4049     0.1599     0.8504
    85      25     0.8401     0.245      0.8504
    86      26     0.4156     0.3471     0.9539
    87      26     0.6529     0.0685     0.9539
    88      27     0.4545     0.1638     0.4009
    89      27     0.8362     0.2907     0.4009
    90      28     0.5831     0.6562     0.0096
    91      28     0.3438     0.9269     0.0096
    92      29     0.2        0.2119     0.1988
    93      29     0.7881     0.9881     0.1988
    94      30     0.1961     0.2112     0.0144
    95      30     0.7888     0.9849     0.0144
    96      31     0.3567     0.4391     0.9442
    97      31     0.5609     0.9176     0.9442
    98      32     0.6404     0.5579     0.0175
    99      32     0.4421     0.0825     0.0175
   100      33     0.796      0.7826     0.9486
   101      33     0.2174     0.0134     0.9486
   102      34     0.4833     0.2036     0.8752
   103      34     0.7964     0.2797     0.8752
   104      35     0.355      0.4263     0.7576
   105      35     0.5737     0.9287     0.7576
   106      36     0.6412     0.5628     0.1971
   107      36     0.4372     0.0784     0.1971
   108      37     0.4283     0.3499     0.7615
   109      37     0.6501     0.0784     0.7615
   110      38     0.7915     0.7901     0.765 
   111      38     0.2099     0.0014     0.765 
   112      39     0.5361     0.8317     0.639 
   113      39     0.1683     0.7044     0.639 
   114      40     0.5375     0.835      0.5698
   115      40     0.165      0.7025     0.5698
   116      41     0.5804     0.662      0.1963
   117      41     0.338      0.9184     0.1963
   118      42     0.6376     0.9341     0.107 
   119      42     0.0659     0.7035     0.107 
   120      43     0.3704     0.0654     0.8526
   121      43     0.9346     0.305      0.8526
   122      44     0.505      0.7901     0.0958
   123      44     0.2099     0.7149     0.0958
   124      45     0.4847     0.2022     0.3303
   125      45     0.7978     0.2825     0.3303
   126      46     0.4269     0.6226     0.2447
   127      46     0.3774     0.8043     0.2447
   128      47     0.4656     0.705      0.2299
   129      47     0.295      0.7606     0.2299
   130      48     0.405      0.6915     0.2279
   131      48     0.3085     0.7135     0.2279
   132      49     0.524      0.7819     0.2015
   133      49     0.2181     0.7421     0.2015
   134      50     0.4756     0.6635     0.2844
   135      50     0.3365     0.8121     0.2844
   136      51     0.5074     0.7394     0.2712
   137      51     0.2606     0.768      0.2712
   138       1     0.0        0.0        0.4805
   139       2     0.0        0.0        0.7327
   140       3     0.8102     0.0065     0.3565
   141       4     0.1818     0.9871     0.6069
   142       5     0.6667     0.3333     0.9756
   143       6     0.6667     0.3333     0.9058
   144       7     0.6268     0.1938     0.9995
   145       8     0.6667     0.3333     0.2304
   146       9     0.6667     0.3333     0.2997
   147      10     0.624      0.1919     0.2076
   148      11     0.6667     0.3333     0.4899
   149      12     0.6667     0.3333     0.5596
   150      13     0.5668     0.1934     0.4675
   151      14     0.1306     0.9927     0.4271
   152      15     0.8696     0.0093     0.5366
   153      16     0.1332     0.9986     0.2858
   154      17     0.8694     0.0072     0.6764
   155      18     0.3335     0.9889     0.5249
   156      19     0.6626     0.0103     0.4399
   157      20     0.3397     0.9943     0.6877
   158      21     0.6532     0.0        0.2752
   159      22     0.4072     0.2636     0.1055
   160      23     0.5948     0.7423     0.8602
   161      24     0.4028     0.2392     0.6124
   162      25     0.5951     0.755      0.3504
   163      26     0.5844     0.9315     0.4539
   164      27     0.5455     0.7093     0.9009
   165      28     0.4169     0.0731     0.5096
   166      29     0.8        0.0119     0.6988
   167      30     0.8039     0.0151     0.5144
   168      31     0.6433     0.0824     0.4442
   169      32     0.3596     0.9175     0.5175
   170      33     0.204      0.9866     0.4486
   171      34     0.5167     0.7203     0.3752
   172      35     0.645      0.0713     0.2576
   173      36     0.3588     0.9216     0.6971
   174      37     0.5717     0.9216     0.2615
   175      38     0.2085     0.9986     0.265 
   176      39     0.4639     0.2956     0.139 
   177      40     0.4625     0.2975     0.0698
   178      41     0.4196     0.0816     0.6963
   179      42     0.3624     0.2965     0.607 
   180      43     0.6296     0.695      0.3526
   181      44     0.495      0.2851     0.5958
   182      45     0.5153     0.7175     0.8303
   183      46     0.5731     0.1957     0.7447
   184      47     0.5344     0.2394     0.7299
   185      48     0.595      0.2865     0.7279
   186      49     0.476      0.2579     0.7015
   187      50     0.5244     0.1879     0.7844
   188      51     0.4926     0.232      0.7712
   189       3     0.1963     0.1898     0.3565
   190       3     0.9935     0.8037     0.3565
   191       4     0.8053     0.8182     0.6069
   192       4     0.0129     0.1947     0.6069
   193       7     0.567      0.3732     0.9995
   194       7     0.8062     0.433      0.9995
   195      10     0.5679     0.376      0.2076
   196      10     0.8081     0.4321     0.2076
   197      13     0.6266     0.4332     0.4675
   198      13     0.8066     0.3734     0.4675
   199      14     0.8621     0.8694     0.4271
   200      14     0.0073     0.1379     0.4271
   201      15     0.1397     0.1304     0.5366
   202      15     0.9907     0.8603     0.5366
   203      16     0.8654     0.8668     0.2858
   204      16     0.0014     0.1346     0.2858
   205      17     0.1378     0.1306     0.6764
   206      17     0.9928     0.8622     0.6764
   207      18     0.6554     0.6665     0.5249
   208      18     0.0111     0.3446     0.5249
   209      19     0.3477     0.3374     0.4399
   210      19     0.9897     0.6523     0.4399
   211      20     0.6546     0.6603     0.6877
   212      20     0.0057     0.3454     0.6877
   213      21     0.3467     0.3468     0.2752
   214      21     0.0001     0.6533     0.2752
   215      22     0.8564     0.5928     0.1055
   216      22     0.7364     0.1436     0.1055
   217      23     0.1475     0.4052     0.8602
   218      23     0.2577     0.8525     0.8602
   219      24     0.8364     0.5972     0.6124
   220      24     0.7608     0.1636     0.6124
   221      25     0.1599     0.4049     0.3504
   222      25     0.245      0.8401     0.3504
   223      26     0.3471     0.4156     0.4539
   224      26     0.0685     0.6529     0.4539
   225      27     0.1638     0.4545     0.9009
   226      27     0.2907     0.8362     0.9009
   227      28     0.6562     0.5831     0.5096
   228      28     0.9269     0.3438     0.5096
   229      29     0.2119     0.2        0.6988
   230      29     0.9881     0.7881     0.6988
   231      30     0.2112     0.1961     0.5144
   232      30     0.9849     0.7888     0.5144
   233      31     0.4391     0.3567     0.4442
   234      31     0.9176     0.5609     0.4442
   235      32     0.5579     0.6404     0.5175
   236      32     0.0825     0.4421     0.5175
   237      33     0.7826     0.796      0.4486
   238      33     0.0134     0.2174     0.4486
   239      34     0.2036     0.4833     0.3752
   240      34     0.2797     0.7964     0.3752
   241      35     0.4263     0.355      0.2576
   242      35     0.9287     0.5737     0.2576
   243      36     0.5628     0.6412     0.6971
   244      36     0.0784     0.4372     0.6971
   245      37     0.3499     0.4283     0.2615
   246      37     0.0784     0.6501     0.2615
   247      38     0.7901     0.7915     0.265 
   248      38     0.0014     0.2099     0.265 
   249      39     0.8317     0.5361     0.139 
   250      39     0.7044     0.1683     0.139 
   251      40     0.835      0.5375     0.0698
   252      40     0.7025     0.165      0.0698
   253      41     0.662      0.5804     0.6963
   254      41     0.9184     0.338      0.6963
   255      42     0.9341     0.6376     0.607 
   256      42     0.7035     0.0659     0.607 
   257      43     0.0654     0.3704     0.3526
   258      43     0.305      0.9346     0.3526
   259      44     0.7901     0.505      0.5958
   260      44     0.7149     0.2099     0.5958
   261      45     0.2022     0.4847     0.8303
   262      45     0.2825     0.7978     0.8303
   263      46     0.6226     0.4269     0.7447
   264      46     0.8043     0.3774     0.7447
   265      47     0.705      0.4656     0.7299
   266      47     0.7606     0.295      0.7299
   267      48     0.6915     0.405      0.7279
   268      48     0.7135     0.3085     0.7279
   269      49     0.7819     0.524      0.7015
   270      49     0.7421     0.2181     0.7015
   271      50     0.6635     0.4756     0.7844
   272      50     0.8121     0.3365     0.7844
   273      51     0.7394     0.5074     0.7712
   274      51     0.768      0.2606     0.7712


X-ray density (g/cm cub.)   =      1.93

MU (1/cm) =      86.747    Mass attenuation coefficient (cm**2/g) =     45.033

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

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

    1    Al                  2.484        6
                                                 1.8851      14
                                                 1.9286      15
                                                 1.8852      14
                                                 1.8852      14
                                                 1.9286      15
                                                 1.9285      15
    2    Al                  2.484        6
                                                 1.9233      17
                                                 1.9232      17
                                                 1.9232      17
                                                 1.8774      16
                                                 1.8774      16
                                                 1.8775      16
    3    Ca                  3.048        8
                                                 2.4424      19
                                                 2.4431      21
                                                 2.6331      25
                                                 2.418       14
                                                 2.4593      14
                                                 2.4615      16
                                                 2.4155      16
                                                 2.6034      23
    4    Ca                  3.048        8
                                                 2.4309      18
                                                 2.4404      20
                                                 2.6622      24
                                                 2.407       15
                                                 2.4076      15
                                                 2.4092      17
                                                 2.3797      17
                                                 2.6137      22
    5    S                   2.148        4
                                                 1.4912       6
                                                 1.4815       7
                                                 1.4817       7
                                                 1.4815       7
    6    O                   3.432        6
                                                 2.4377       7
                                                 2.4379       7
                                                 2.4378       7
                                                 2.8355      25
                                                 2.8355      25
                                                 2.8355      25
    7    O                   3.432        6
                                                 2.4377       6
                                                 2.4087       7
                                                 2.4087       7
                                                 2.7614      22
                                                 2.8217      18
                                                 2.748       19
    8    S                   2.148        4
                                                 1.4805       9
                                                 1.4858      10
                                                 1.486       10
                                                 1.4858      10
    9    O                   3.432        6
                                                 2.417       10
                                                 2.4171      10
                                                 2.417       10
                                                 2.9066      23
                                                 2.9066      23
                                                 2.9066      23
   10    O                   3.432        6
                                                 2.417        9
                                                 2.7372      21
                                                 2.4314      10
                                                 2.4314      10
                                                 2.7025      22
                                                 2.7784      20
   11    S                   2.148        4
                                                 1.4891      12
                                                 1.4742      13
                                                 1.4743      13
                                                 1.4741      13
   12    O                   3.432        6
                                                 2.4116      13
                                                 2.8227      24
                                                 2.4117      13
                                                 2.4116      13
                                                 2.8226      24
                                                 2.8225      24
   13    O                   3.432        6
                                                 2.4116      12
                                                 2.7495      18
                                                 2.8046      19
                                                 2.4151      13
                                                 2.4151      13
                                                 2.802       23
   14    OH                  3.48        10
                                                 3.0201      16
                                                 3.0975      18
                                                 2.6005      14
                                                 2.6005      14
                                                 2.7725      15
                                                 2.7902      15
                                                 3.383       19
                                                 3.3205      19
                                                 3.0668      25
                                                 3.0234      23
   15    OH                  3.48        10
                                                 2.9872      17
                                                 3.1047      19
                                                 2.7902      14
                                                 2.7725      14
                                                 2.6176      15
                                                 2.6176      15
                                                 3.36        18
                                                 3.2666      18
                                                 3.0278      24
                                                 3.0602      22
   16    OH                  3.48        10
                                                 3.0201      14
                                                 2.591       16
                                                 2.591       16
                                                 3.4048      21
                                                 3.3771      21
                                                 2.9682      25
                                                 2.7378      17
                                                 2.8154      17
                                                 3.1353      20
                                                 3.0776      23
   17    OH                  3.48        10
                                                 2.9872      15
                                                 2.5993      17
                                                 2.5993      17
                                                 3.3963      20
                                                 3.3013      20
                                                 2.9179      24
                                                 2.7378      16
                                                 2.8155      16
                                                 3.1776      21
                                                 3.0782      22
   18    H(2)O               3.6          9
                                                 2.7495      13
                                                 3.0975      14
                                                 3.4793      20
                                                 3.1225      24
                                                 3.2666      15
                                                 3.36        15
                                                 3.5747       7
                                                 2.8219       7
                                                 3.0723      22
   19    H(2)O               3.6          9
                                                 2.8046      13
                                                 3.1047      15
                                                 3.5204      21
                                                 3.195       25
                                                 3.5866      13
                                                 3.3205      14
                                                 3.383       14
                                                 2.7479       7
                                                 3.029       23
   20    H(2)O               3.6          9
                                                 3.4793      18
                                                 2.9395      24
                                                 2.7344      46
                                                 2.6618      47
                                                 3.3013      17
                                                 3.3963      17
                                                 2.7785      10
                                                 3.1352      16
                                                 3.142       22
   21    H(2)O               3.6          9
                                                 2.7372      10
                                                 3.5204      19
                                                 2.9515      25
                                                 3.3771      16
                                                 3.4048      16
                                                 3.1778      17
                                                 3.1838      23
                                                 2.8211      46
                                                 3.0459      47
   22    H(2)O               3.6          7
                                                 2.7614       7
                                                 2.7025      10
                                                 2.98        24
                                                 3.0601      15
                                                 3.0782      17
                                                 3.0724      18
                                                 3.1421      20
   23    H(2)O               3.6          7
                                                 2.9066       9
                                                 2.9821      25
                                                 2.802       13
                                                 3.0234      14
                                                 3.0776      16
                                                 3.0289      19
                                                 3.1837      21
   24    H(2)O               3.6          8
                                                 2.8227      12
                                                 3.1225      18
                                                 2.9395      20
                                                 3.5733      46
                                                 2.9085      47
                                                 3.0278      15
                                                 2.9179      17
                                                 2.98        22
   25    H(2)O               3.6          9
                                                 3.195       19
                                                 2.9515      21
                                                 3.0668      14
                                                 2.9682      16
                                                 2.8355       6
                                                 2.9821      23
                                                 2.8352      46
                                                 3.5575      46
                                                 2.8678      47
   26    H                   1.8          1
                                                 0.9265      19
   27    H                   1.8          1
                                                 0.9961      23
   28    H                   1.8          2
                                                 1.7801      13
                                                 0.9914      18
   29    H                   1.8          1
                                                 0.9346      17
   30    H                   1.8          1
                                                 0.9027      15
   31    H                   1.8          1
                                                 0.9366      19
   32    H                   1.8          1
                                                 0.9892      18
   33    H                   1.8          1
                                                 0.9711      14
   34    H                   1.8          1
                                                 0.9266      25
   35    H                   1.8          1
                                                 0.9268      21
   36    H                   1.8          1
                                                 0.9585      20
   37    H                   1.8          1
                                                 0.9398      21
   38    H                   1.8          1
                                                 0.9513      16
   39    H                   1.8          1
                                                 0.9028      22
   40    H                   1.8          1
                                                 0.9341      22
   41    H                   1.8          2
                                                 0.9545      20
                                                 1.734       47
   42    H                   1.8          1
                                                 0.9569      24
   43    H                   1.8          1
                                                 0.9264      25
   44    H                   1.8          1
                                                 0.9599      24
   45    H                   1.8          1
                                                 1.0136      23
   46   H(2)O,H(2)O          3.6         10
                                                 2.7344      20
                                                 3.5733      24
                                                 0.858       47
                                                 2.3555      46
                                                 2.3555      46
                                                 2.6304      47
                                                 1.8423      47
                                                 2.8213      21
                                                 2.8352      25
                                                 3.5576      25
   47   H(2)O,H(2)O          3.6          9
                                                 2.6618      20
                                                 2.9085      24
                                                 0.858       46
                                                 1.8423      46
                                                 2.6304      46
                                                 2.2806      47
                                                 2.2806      47
                                                 3.0458      21
                                                 2.8678      25
   48   H    ,H              1.8          4
                                                 0.9846      46
                                                 0.6171      47
                                                 1.4833      46
                                                 1.7482      47
   49   H    ,H              1.8          1
                                                 0.9855      47
   50   H    ,H              1.8          2
                                                 0.9877      46
                                                 1.2786      47
   51   H    ,H              1.8          2
                                                 1.2877      46
                                                 0.9822      47

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

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

    1   0   0   2  4.135   8.27    0.047  381.64    2       28.4       11.5
    2   1   0   0  4.567   9.134   0.052  312.5     6      146.1      750.4
    3   1   0   1  5.014  10.029   0.057  258.82   12       24.9       36.2
    4   1   0   2  6.167  12.333   0.07   170.35   12       16.2       10.1
    5   1   0   3  7.719  15.437   0.087  107.92   12       28.3       19.5
    6   1   1   0  7.927  15.854   0.09   102.21    6      196.2      442.8
    7   0   0   4  8.292  16.584   0.094   93.21    2       24.8        2.2
    8   1   1  -2  8.953  17.906   0.101   79.65    6      100.9       91.2
    9   1   1   2  8.953  17.906   0.101   79.65    6       38.5       13.3
   10   2   0   0  9.163  18.326   0.103   75.94    6       68.1       39.7
   11   2   0   1  9.397  18.794   0.106   72.1    12       22.0        7.9
   12   1   0   4  9.482  18.964   0.107   70.77   12      133.6      284.2
   13   2   0   2 10.067  20.135   0.113   62.54   12       12.2        2.1
   14   2   0   3 11.099  22.198   0.125   51.07   12       61.0       42.8
   15   1   0   5 11.366  22.732   0.128   48.6    12       23.6        6.1
   16   1   1  -4 11.51   23.021   0.13    47.34    6      189.6      191.5
   17   1   1   4 11.51   23.021   0.13    47.34    6      191.1      194.6
   18   2   1   0 12.161  24.322   0.137   42.19   12       47.8       21.7
   19   2   1  -1 12.34   24.681   0.139   40.91   12       34.9       11.2
   20   2   1   1 12.34   24.681   0.139   40.91   12       10.0        0.9
   21   2   0   4 12.406  24.813   0.139   40.46   12      101.2       93.3
   22   0   0   6 12.494  24.987   0.14    39.87    2       27.9        1.2
   23   2   1  -2 12.865  25.73    0.145   37.48   12       77.3       50.4
   24   2   1   2 12.865  25.73    0.145   37.48   12      122.1      125.8
   25   1   0   6 13.328  26.655   0.15    34.79   12       12.3        1.2
   26   2   1  -3 13.698  27.396   0.154   32.82   12       48.5       17.4
   27   2   1   3 13.698  27.396   0.154   32.82   12       58.1       24.9
   28   3   0   0 13.819  27.639   0.155   32.21    6      166.8      100.8
   29   2   0   5 13.918  27.836   0.156   31.73   12        5.8        0.2
   30   3   0   1 13.979  27.958   0.157   31.44   12       36.2        9.3
   31   3   0   2 14.448  28.897   0.162   29.3    12       33.2        7.3
   32   2   1  -4 14.791  29.582   0.166   27.87   12       13.1        1.1
   33   2   1   4 14.791  29.582   0.166   27.87   12       12.2        0.9
   34   1   1  -6 14.865  29.731   0.167   27.57    6      101.1       31.7
   35   1   1   6 14.865  29.731   0.167   27.57    6       92.8       26.8
   36   3   0   3 15.201  30.403   0.17    26.28   12       13.8        1.1
   37   1   0   7 15.346  30.692   0.172   25.75   12       39.3        8.9
   38   2   0   6 15.582  31.164   0.174   24.92   12        5.5        0.2
   39   2   2   0 16.011  32.021   0.179   23.51    6      100.1       26.5
   40   2   1  -5 16.097  32.194   0.18    23.23   12       31.6        5.2
   41   2   1   5 16.097  32.194   0.18    23.23   12       31.5        5.2
   42   3   0   4 16.202  32.404   0.181   22.91   12      230.6      274.3
   43   2   2  -2 16.564  33.128   0.185   21.84    6       22.5        1.2
   44   2   2   2 16.564  33.128   0.185   21.84    6       72.4       12.9
   45   3   1   0 16.683  33.366   0.186   21.5    12       80.8       31.6
   46   0   0   8 16.765  33.529   0.187   21.28    2      285.9       65.2
   47   3   1  -1 16.818  33.636   0.188   21.13   12       68.7       22.4
   48   3   1   1 16.818  33.636   0.188   21.13   12       22.0        2.3
   49   3   1  -2 17.217  34.434   0.192   20.08   12      120.5       65.7
   50   3   1   2 17.217  34.434   0.192   20.08   12      119.8       64.9
   51   2   0   7 17.363  34.726   0.194   19.71   12       27.2        3.3
   52   1   0   8 17.411  34.822   0.194   19.59   12       28.9        3.7
   53   3   0   5 17.413  34.826   0.194   19.59   12        8.7        0.3
   54   2   1  -6 17.575  35.15    0.196   19.2    12      209.5      189.7
   55   2   1   6 17.575  35.15    0.196   19.2    12      199.2      171.5
   56   3   1  -3 17.865  35.73    0.199   18.52   12       54.8       12.5
   57   3   1   3 17.865  35.73    0.199   18.52   12       63.3       16.7
   58   2   2  -4 18.134  36.268   0.202   17.92    6       66.0        8.8
   59   2   2   4 18.134  36.268   0.202   17.92    6       68.6        9.5
   60   4   0   0 18.571  37.142   0.207   17.01    6       51.1        5.0
   61   1   1  -8 18.646  37.291   0.208   16.86    6       74.4       10.5
   62   1   1   8 18.646  37.291   0.208   16.86    6       76.0       11.0
   63   4   0   1 18.694  37.388   0.208   16.76   12       21.0        1.7
   64   3   1  -4 18.74   37.479   0.209   16.67   12       87.2       28.5
   65   3   1   4 18.74   37.479   0.209   16.67   12       96.2       34.7
   66   3   0   6 18.8    37.6     0.209   16.56   12       10.0        0.4
   67   4   0   2 19.059  38.118   0.212   16.06   12       30.3        3.3
   68   2   1  -7 19.193  38.385   0.213   15.82   12       24.6        2.2
   69   2   1   7 19.193  38.385   0.213   15.82   12       30.7        3.4
   70   2   0   8 19.237  38.474   0.214   15.74   12       95.2       32.1
   71   1   0   9 19.519  39.038   0.217   15.24   12       41.0        5.8
   72   4   0   3 19.655  39.309   0.218   15.01   12       31.1        3.3
   73   3   1  -5 19.815  39.63    0.22    14.74   12       37.0        4.5
   74   3   1   5 19.815  39.63    0.22    14.74   12       10.9        0.4
   75   3   2   0 20.308  40.615   0.225   13.95   12      125.1       49.2
   76   3   0   7 20.334  40.668   0.226   13.91   12       13.1        0.5
   77   3   2  -1 20.422  40.843   0.226   13.78   12       38.2        4.5
   78   3   2   1 20.422  40.843   0.226   13.78   12       29.3        2.7
   79   4   0   4 20.464  40.928   0.227   13.72   12       76.6       18.1
   80   2   2  -6 20.52   41.04    0.228   13.63    6      314.6      151.8
   81   2   2   6 20.52   41.04    0.228   13.63    6      331.8      168.9
   82   3   2  -2 20.761  41.522   0.23    13.28   12       98.9       29.3
   83   3   2   2 20.761  41.522   0.23    13.28   12       59.1       10.4
   84   2   1  -8 20.927  41.854   0.232   13.05   12       12.8        0.5
   85   2   1   8 20.927  41.854   0.232   13.05   12        3.6        0.0
   86   3   1  -6 21.067  42.134   0.233   12.85   12      166.7       80.4
   87   3   1   6 21.067  42.134   0.233   12.85   12      179.8       93.6
   88   0   0  10 21.134  42.268   0.234   12.76    2       37.0        0.7
   89   2   0   9 21.19   42.38    0.235   12.69   12       35.8        3.7
   90   3   2  -3 21.317  42.633   0.236   12.52   12       55.4        8.6
   91   3   2   3 21.317  42.633   0.236   12.52   12       95.7       25.8
   92   4   1   0 21.399  42.799   0.237   12.41   12      100.2       28.1
   93   4   0   5 21.467  42.934   0.238   12.32   12       56.0        8.7
   94   4   1  -1 21.509  43.018   0.238   12.27   12       10.9        0.3
   95   4   1   1 21.509  43.018   0.238   12.27   12       34.1        3.2
   96   1   0  10 21.669  43.337   0.24    12.07   12       25.5        1.8
   97   4   1  -2 21.834  43.669   0.241   11.86   12       87.2       20.3
   98   4   1   2 21.834  43.669   0.241   11.86   12       36.8        3.6
   99   3   0   8 21.994  43.987   0.243   11.67   12       49.3        6.4
  100   3   2  -4 22.076  44.151   0.244   11.57   12       90.3       21.2
  101   3   2   4 22.076  44.151   0.244   11.57   12       88.9       20.6
  102   4   1  -3 22.369  44.737   0.247   11.23   12       12.0        0.4
  103   4   1   3 22.369  44.737   0.247   11.23   12       31.9        2.6
  104   3   1  -7 22.473  44.946   0.248   11.12   12       11.2        0.3
  105   3   1   7 22.473  44.946   0.248   11.12   12       30.5        2.3
  106   4   0   6 22.644  45.288   0.25    10.93   12       21.0        1.1
  107   1   1 -10 22.707  45.415   0.251   10.86    6       98.4       11.8
  108   1   1  10 22.707  45.415   0.251   10.86    6       49.4        3.0
  109   2   1  -9 22.76   45.521   0.251   10.8    12       35.4        3.1
  110   2   1   9 22.76   45.521   0.251   10.8    12       16.9        0.7
  111   3   2  -5 23.022  46.044   0.254   10.53   12       48.4        5.5
  112   3   2   5 23.022  46.044   0.254   10.53   12       54.2        7.0
  113   4   1  -4 23.1    46.2     0.255   10.45   12       72.0       12.2
  114   4   1   4 23.1    46.2     0.255   10.45   12       66.8       10.5
  115   2   0  10 23.213  46.426   0.256   10.33   12       10.3        0.2
  116   5   0   0 23.46   46.919   0.258   10.09    6      270.0       82.8
  117   2   2  -8 23.521  47.042   0.259   10.03    6       70.9        5.7
  118   2   2   8 23.521  47.042   0.259   10.03    6       78.3        6.9
  119   5   0   1 23.561  47.123   0.259    9.99   12       35.5        2.8
  120   3   0   9 23.761  47.523   0.262    9.8    12       53.2        6.3
  121   1   0  11 23.861  47.722   0.263    9.71   12       52.5        6.0
  122   5   0   2 23.865  47.73    0.263    9.7    12        4.5        0.0
  123   4   0   7 23.976  47.953   0.264    9.6    12       63.6        8.7
  124   3   1  -8 24.014  48.027   0.264    9.57   12       49.1        5.2
  125   3   1   8 24.014  48.027   0.264    9.57   12       44.6        4.3
  126   4   1  -5 24.015  48.03    0.264    9.57   12       55.1        6.5
  127   4   1   5 24.015  48.03    0.264    9.57   12       21.3        1.0
  128   3   2  -6 24.14   48.279   0.265    9.45   12       34.3        2.5
  129   3   2   6 24.14   48.279   0.265    9.45   12       11.2        0.3
  130   5   0   3 24.364  48.729   0.268    9.26   12       42.2        3.7
  131   3   3   0 24.439  48.878   0.269    9.19    6       97.1        9.8
  132   2   1 -10 24.682  49.364   0.271    8.99   12      101.0       20.6
  133   2   1  10 24.682  49.364   0.271    8.99   12      136.9       37.9
  134   3   3  -2 24.832  49.664   0.273    8.87    6      126.4       15.9
  135   3   3   2 24.832  49.664   0.273    8.87    6      173.2       29.9
  136   4   2   0 24.918  49.835   0.273    8.8    12       21.9        1.0
  137   4   2  -1 25.015  50.03    0.274    8.72   12       74.8       11.0
  138   4   2   1 25.015  50.03    0.274    8.72   12       28.3        1.6
  139   5   0   4 25.051  50.102   0.275    8.69   12       98.7       19.1
  140   4   1  -6 25.099  50.197   0.275    8.65   12       14.0        0.4
  141   4   1   6 25.099  50.197   0.275    8.65   12       26.3        1.3
  142   2   0  11 25.301  50.603   0.277    8.5    12       23.8        1.1
  143   4   2  -2 25.305  50.61    0.277    8.49   12       75.0       10.8
  144   4   2   2 25.305  50.61    0.277    8.49   12       71.7        9.8
  145   3   2  -7 25.412  50.824   0.279    8.41   12       47.6        4.3
  146   3   2   7 25.412  50.824   0.279    8.41   12       37.3        2.6
  147   4   0   8 25.448  50.895   0.279    8.38   12       85.8       13.9
  148   3   0  10 25.626  51.252   0.281    8.25   12       24.4        1.1
  149   0   0  12 25.637  51.273   0.281    8.24    2      297.3       27.3
  150   3   1  -9 25.674  51.349   0.281    8.22   12       18.5        0.6
  151   3   1   9 25.674  51.349   0.281    8.22   12       11.9        0.3
  152   4   2  -3 25.784  51.568   0.282    8.14   12       33.8        2.1
  153   4   2   3 25.784  51.568   0.282    8.14   12       34.6        2.2
  154   5   0   5 25.914  51.828   0.284    8.04   12        5.1        0.0
  155   3   3  -4 25.985  51.97    0.284    7.99    6      138.3       17.2
  156   3   3   4 25.985  51.97    0.284    7.99    6      134.6       16.3
  157   1   0  12 26.099  52.198   0.286    7.92   12      136.2       33.1
  158   5   1   0 26.315  52.63    0.288    7.77   12       90.5       14.3
  159   4   1  -7 26.337  52.674   0.288    7.75   12       17.7        0.5
  160   4   1   7 26.337  52.674   0.288    7.75   12       13.5        0.3
  161   5   1  -1 26.409  52.818   0.289    7.71   12       23.0        0.9
  162   5   1   1 26.409  52.818   0.289    7.71   12       30.0        1.6
  163   4   2  -4 26.443  52.887   0.289    7.68   12        7.4        0.1
  164   4   2   4 26.443  52.887   0.289    7.68   12       12.9        0.3
  165   2   1 -11 26.685  53.369   0.292    7.53   12        3.6        0.0
  166   2   1  11 26.685  53.369   0.292    7.53   12       33.2        1.9
  167   5   1  -2 26.688  53.376   0.292    7.52   12       98.3       16.4
  168   5   1   2 26.688  53.376   0.292    7.52   12       51.1        4.4
  169   3   2  -8 26.825  53.651   0.293    7.44   12       11.2        0.2
  170   3   2   8 26.825  53.651   0.293    7.44   12        8.6        0.1
  171   5   0   6 26.942  53.883   0.294    7.36   12       21.6        0.8
  172   2   2 -10 26.997  53.995   0.295    7.33    6       57.8        2.8
  173   2   2  10 26.997  53.995   0.295    7.33    6       32.5        0.9
  174   1   1 -12 27.008  54.015   0.295    7.32    6      178.4       26.2
  175   1   1  12 27.008  54.015   0.295    7.32    6      167.7       23.2
  176   4   0   9 27.044  54.088   0.295    7.3    12       12.1        0.2
  177   5   1  -3 27.15   54.299   0.296    7.24   12       41.9        2.9
  178   5   1   3 27.15   54.299   0.296    7.24   12       56.3        5.2
  179   4   2  -5 27.275  54.55    0.297    7.16   12       24.8        1.0
  180   4   2   5 27.275  54.55    0.297    7.16   12       25.9        1.1
  181   3   1 -10 27.444  54.888   0.299    7.06   12      140.4       31.3
  182   3   1  10 27.444  54.888   0.299    7.06   12      138.7       30.6
  183   2   0  12 27.454  54.908   0.299    7.05   12       24.2        0.9
  184   3   0  11 27.58   55.159   0.301    6.98   12       32.9        1.7
  185   4   1  -8 27.717  55.435   0.302    6.9    12      172.6       46.3
  186   4   1   8 27.717  55.435   0.302    6.9    12      167.7       43.7
  187   5   1  -4 27.787  55.573   0.303    6.86   12       86.8       11.7
  188   5   1   4 27.787  55.573   0.303    6.86   12       95.1       14.0
  189   3   3  -6 27.831  55.662   0.303    6.84    6        8.0        0.0
  190   3   3   6 27.831  55.662   0.303    6.84    6       21.5        0.4
  191   5   0   7 28.123  56.246   0.306    6.68   12       27.6        1.1
  192   4   2  -6 28.269  56.537   0.307    6.6    12       25.7        1.0
  193   4   2   6 28.269  56.537   0.307    6.6    12       32.3        1.5
  194   3   2  -9 28.368  56.735   0.308    6.55   12       17.8        0.5
  195   3   2   9 28.368  56.735   0.308    6.55   12       20.7        0.6
  196   1   0  13 28.387  56.775   0.309    6.54   12       34.0        1.7
  197   6   0   0 28.537  57.074   0.31     6.46    6      313.7       71.5
  198   5   1  -5 28.592  57.183   0.311    6.43   12       25.0        0.9
  199   5   1   5 28.592  57.183   0.311    6.43   12       39.4        2.3
  200   6   0   1 28.626  57.251   0.311    6.42   12        3.3        0.0
  201   4   0  10 28.755  57.511   0.312    6.35   12       28.4        1.1
  202   2   1 -12 28.765  57.53    0.312    6.35   12       19.6        0.5
  203   2   1  12 28.765  57.53    0.312    6.35   12       19.8        0.6
  204   6   0   2 28.89   57.781   0.314    6.28   12       26.2        1.0
  205   4   3   0 28.968  57.935   0.314    6.25   12      114.1       18.3
  206   4   3  -1 29.055  58.111   0.315    6.2    12       14.0        0.3
  207   4   3   1 29.055  58.111   0.315    6.2    12        3.4        0.0
  208   4   1  -9 29.228  58.456   0.317    6.12   12       21.0        0.6
  209   4   1   9 29.228  58.456   0.317    6.12   12       36.7        1.9
  210   3   1 -11 29.314  58.629   0.318    6.08   12       40.6        2.3
  211   3   1  11 29.314  58.629   0.318    6.08   12       16.0        0.3
  212   4   3  -2 29.318  58.636   0.318    6.08   12       93.1       11.9
  213   4   3   2 29.318  58.636   0.318    6.08   12       72.4        7.2
  214   6   0   3 29.329  58.657   0.318    6.07   12       14.6        0.3
  215   4   2  -7 29.415  58.829   0.319    6.03   12       21.2        0.6
  216   4   2   7 29.415  58.829   0.319    6.03   12       61.2        5.1
  217   5   0   8 29.447  58.893   0.319    6.02   12      198.9       53.6
  218   5   1  -6 29.556  59.112   0.32     5.97   12        3.4        0.0
  219   5   1   6 29.556  59.112   0.32     5.97   12       32.6        1.4
  220   3   0  12 29.618  59.236   0.321    5.94   12       68.5        6.3
  221   2   0  13 29.672  59.343   0.321    5.92   12       15.6        0.3
  222   4   3  -3 29.752  59.504   0.322    5.88   12       37.5        1.9
  223   4   3   3 29.752  59.504   0.322    5.88   12       70.4        6.6
  224   5   2   0 29.817  59.634   0.323    5.85   12       54.3        3.9
  225   5   2  -1 29.903  59.806   0.324    5.82   12        3.4        0.0
  226   5   2   1 29.903  59.806   0.324    5.82   12        3.2        0.0
  227   6   0   4 29.935  59.87    0.324    5.8    12       48.1        3.0
  228   3   2 -10 30.03   60.059   0.325    5.76   12       28.2        1.0
  229   3   2  10 30.03   60.059   0.325    5.76   12       38.4        1.9
  230   5   2  -2 30.161  60.322   0.326    5.7    12       29.4        1.1
  231   5   2   2 30.161  60.322   0.326    5.7    12       75.0        7.2
  232   3   3  -8 30.288  60.576   0.327    5.65    6       21.3        0.3
  233   3   3   8 30.288  60.576   0.327    5.65    6       15.4        0.2
  234   0   0  14 30.316  60.632   0.328    5.64    2       37.3        0.3
  235   4   3  -4 30.353  60.707   0.328    5.62   12       39.2        1.9
  236   4   3   4 30.353  60.707   0.328    5.62   12       42.8        2.3
  237   4   0  11 30.574  61.148   0.33     5.53   12       37.7        1.8
  238   5   2  -3 30.588  61.176   0.33     5.53   12       23.1        0.7
  239   5   2   3 30.588  61.176   0.33     5.53   12       35.3        1.6
  240   5   1  -7 30.672  61.344   0.331    5.5    12       31.4        1.2
  241   5   1   7 30.672  61.344   0.331    5.5    12       32.6        1.3
  242   4   2  -8 30.703  61.406   0.331    5.48   12       81.5        8.2
  243   4   2   8 30.703  61.406   0.331    5.48   12       73.3        6.6
  244   6   0   5 30.704  61.409   0.331    5.48   12       22.1        0.6
  245   1   0  14 30.731  61.462   0.332    5.47   12       16.5        0.3
  246   4   1 -10 30.861  61.722   0.333    5.42   12       77.7        7.4
  247   4   1  10 30.861  61.722   0.333    5.42   12       46.8        2.7
  248   2   2 -12 30.87   61.741   0.333    5.42    6      189.5       21.9
  249   2   2  12 30.87   61.741   0.333    5.42    6      209.9       26.9
  250   5   0   9 30.904  61.808   0.333    5.4    12       15.8        0.3
  251   2   1 -13 30.922  61.845   0.334    5.4    12        3.9        0.0
  252   2   1  13 30.922  61.845   0.334    5.4    12        8.2        0.1
  253   4   3  -5 31.116  62.233   0.335    5.32   12       35.2        1.5
  254   4   3   5 31.116  62.233   0.335    5.32   12       15.6        0.3
  255   5   2  -4 31.18   62.359   0.336    5.3    12       79.6        7.6
  256   5   2   4 31.18   62.359   0.336    5.3    12       82.1        8.0
  257   3   1 -12 31.281  62.562   0.337    5.26   12       63.6        4.8
  258   3   1  12 31.281  62.562   0.337    5.26   12       69.1        5.6
  259   6   1   0 31.474  62.947   0.339    5.19   12       42.3        2.1
  260   1   1 -14 31.552  63.104   0.34     5.16    6       45.0        1.2
  261   1   1  14 31.552  63.104   0.34     5.16    6       74.9        3.3
  262   6   1  -1 31.557  63.115   0.34     5.16   12       51.8        3.1
  263   6   1   1 31.557  63.115   0.34     5.16   12       22.1        0.6
  264   6   0   6 31.629  63.259   0.34     5.14   12       14.8        0.3
  265   3   0  13 31.74   63.481   0.341    5.1    12        9.6        0.1
  266   3   2 -11 31.804  63.608   0.342    5.07   12       39.3        1.8
  267   3   2  11 31.804  63.608   0.342    5.07   12       50.6        2.9
  268   6   1  -2 31.807  63.615   0.342    5.07   12       16.5        0.3
  269   6   1   2 31.807  63.615   0.342    5.07   12       19.1        0.4
  270   5   1  -8 31.93   63.861   0.343    5.03   12       75.9        6.5
  271   5   1   8 31.93   63.861   0.343    5.03   12       72.4        5.9
  272   5   2  -5 31.931  63.863   0.343    5.03   12       38.2        1.7
  273   5   2   5 31.931  63.863   0.343    5.03   12       21.4        0.5
  274   2   0  14 31.958  63.915   0.344    5.02   12       13.3        0.2
  275   4   3  -6 32.035  64.069   0.344    4.99   12       80.9        7.4
  276   4   3   6 32.035  64.069   0.344    4.99   12       91.4        9.4
  277   4   2  -9 32.127  64.253   0.345    4.96   12       48.2        2.6
  278   4   2   9 32.127  64.253   0.345    4.96   12       21.9        0.5
  279   6   1  -3 32.222  64.443   0.346    4.93   12       43.1        2.1
  280   6   1   3 32.222  64.443   0.346    4.93   12       38.0        1.6
  281   5   0  10 32.487  64.974   0.349    4.84   12        2.5        0.0
  282   4   0  12 32.496  64.992   0.349    4.84   12       10.0        0.1
  283   4   1 -11 32.609  65.219   0.35     4.81   12       42.6        2.0
  284   4   1  11 32.609  65.219   0.35     4.81   12       32.8        1.2
  285   6   0   7 32.704  65.407   0.351    4.78   12       19.7        0.4
  286   6   1  -4 32.797  65.593   0.352    4.75   12       27.0        0.8
  287   6   1   4 32.797  65.593   0.352    4.75   12       29.4        0.9
  288   5   2  -6 32.837  65.674   0.352    4.73   12       67.7        4.9
  289   5   2   6 32.837  65.674   0.352    4.73   12       82.3        7.2
  290   4   3  -7 33.102  66.204   0.355    4.65   12        5.8        0.0
  291   4   3   7 33.102  66.204   0.355    4.65   12       20.6        0.4
  292   1   0  15 33.138  66.276   0.355    4.64   12       20.5        0.4
  293   2   1 -14 33.159  66.318   0.355    4.64   12       58.6        3.6
  294   2   1  14 33.159  66.318   0.355    4.64   12       49.3        2.5
  295   3   3 -10 33.284  66.567   0.356    4.6     6       80.3        3.3
  296   3   3  10 33.284  66.567   0.356    4.6     6      111.9        6.5
  297   5   1  -9 33.325  66.649   0.357    4.59   12       10.5        0.1
  298   5   1   9 33.325  66.649   0.357    4.59   12        8.3        0.1
  299   3   1 -13 33.343  66.685   0.357    4.58   12       10.6        0.1
  300   3   1  13 33.343  66.685   0.357    4.58   12        7.6        0.1
  301   4   4   0 33.479  66.958   0.358    4.54    6        4.1        0.0
  302   6   1  -5 33.529  67.057   0.359    4.53   12       17.5        0.3
  303   6   1   5 33.529  67.057   0.359    4.53   12       10.4        0.1
  304   4   2 -10 33.678  67.356   0.36     4.49   12       23.1        0.5
  305   4   2  10 33.678  67.356   0.36     4.49   12       15.1        0.2
  306   3   2 -12 33.687  67.374   0.36     4.48   12       78.3        6.2
  307   3   2  12 33.687  67.374   0.36     4.48   12       61.1        3.8
  308   4   4  -2 33.802  67.604   0.361    4.45    6       64.0        2.1
  309   4   4   2 33.802  67.604   0.361    4.45    6      104.0        5.4
  310   5   3   0 33.872  67.745   0.362    4.43   12       47.8        2.3
  311   7   0   0 33.872  67.745   0.362    4.43    6       74.8        2.8
  312   5   2  -7 33.891  67.782   0.362    4.43   12       12.3        0.2
  313   5   2   7 33.891  67.782   0.362    4.43   12       10.4        0.1
  314   6   0   8 33.921  67.842   0.362    4.42   12       35.9        1.3
  315   3   0  14 33.948  67.895   0.362    4.41   12        6.5        0.0
  316   5   3  -1 33.953  67.906   0.363    4.41   12       64.0        4.1
  317   5   3   1 33.953  67.906   0.363    4.41   12       20.5        0.4
  318   7   0   1 33.953  67.906   0.363    4.41   12       30.3        0.9
  319   5   0  11 34.19   68.381   0.365    4.35   12       27.2        0.7
  320   5   3  -2 34.194  68.387   0.365    4.35   12       26.7        0.7
  321   5   3   2 34.194  68.387   0.365    4.35   12        4.9        0.0
  322   7   0   2 34.194  68.387   0.365    4.35   12       14.9        0.2
  323   4   3  -8 34.312  68.624   0.366    4.32   12        9.2        0.1
  324   4   3   8 34.312  68.624   0.366    4.32   12       11.4        0.1
  325   2   0  15 34.318  68.636   0.366    4.31   12       13.8        0.2
  326   6   1  -6 34.413  68.826   0.367    4.29   12        6.4        0.0
  327   6   1   6 34.413  68.826   0.367    4.29   12        6.3        0.0
  328   4   1 -12 34.47   68.94    0.367    4.28   12       52.0        2.6
  329   4   1  12 34.47   68.94    0.367    4.28   12       61.5        3.6
  330   4   0  13 34.519  69.038   0.368    4.26   12       27.0        0.7
  331   5   3  -3 34.593  69.186   0.369    4.24   12        1.9        0.0
  332   5   3   3 34.593  69.186   0.369    4.24   12       17.9        0.3
  333   7   0   3 34.593  69.186   0.369    4.24   12       13.5        0.2
  334   4   4  -4 34.762  69.524   0.37     4.2     6      151.7       10.9
  335   4   4   4 34.762  69.524   0.37     4.2     6      145.6       10.0
  336   5   1 -10 34.849  69.698   0.371    4.18   12       42.1        1.7
  337   5   1  10 34.849  69.698   0.371    4.18   12        9.5        0.1
  338   6   2   0 35.04   70.081   0.373    4.14   12       18.8        0.3
  339   5   2  -8 35.088  70.176   0.373    4.12   12       54.8        2.8
  340   5   2   8 35.088  70.176   0.373    4.12   12       56.7        3.0
  341   2   2 -14 35.114  70.229   0.373    4.12    6       10.4        0.0
  342   2   2  14 35.114  70.229   0.373    4.12    6       33.1        0.5
  343   6   2  -1 35.12   70.239   0.373    4.12   12        9.5        0.1
  344   6   2   1 35.12   70.239   0.373    4.12   12       24.8        0.6
  345   5   3  -4 35.149  70.298   0.374    4.11   12       30.6        0.9
  346   5   3   4 35.149  70.298   0.374    4.11   12       32.6        1.0
  347   7   0   4 35.149  70.298   0.374    4.11   12       28.6        0.8
  348   0   0  16 35.231  70.463   0.374    4.09    2      281.9       12.2
  349   6   0   9 35.276  70.551   0.375    4.08   12       18.6        0.3
  350   4   2 -11 35.354  70.707   0.376    4.06   12       30.3        0.8
  351   4   2  11 35.354  70.707   0.376    4.06   12        8.6        0.1
  352   6   2  -2 35.357  70.713   0.376    4.06   12       92.4        7.8
  353   6   2   2 35.357  70.713   0.376    4.06   12      116.6       12.4
  354   6   1  -7 35.444  70.888   0.376    4.04   12       10.5        0.1
  355   6   1   7 35.444  70.888   0.376    4.04   12       13.1        0.2
  356   2   1 -15 35.479  70.958   0.377    4.03   12       56.1        2.9
  357   2   1  15 35.479  70.958   0.377    4.03   12       44.6        1.8
  358   3   1 -14 35.499  70.999   0.377    4.03   12       51.8        2.4
  359   3   1  14 35.499  70.999   0.377    4.03   12       45.2        1.9
  360   1   0  16 35.616  71.232   0.378    4.0    12      115.9       12.1
  361   4   3  -9 35.66   71.32    0.378    3.99   12       11.9        0.1
  362   4   3   9 35.66   71.32    0.378    3.99   12       10.7        0.1
  363   3   2 -13 35.677  71.354   0.379    3.99   12       25.6        0.6
  364   3   2  13 35.677  71.354   0.379    3.99   12        9.4        0.1
  365   6   2  -3 35.75   71.5     0.379    3.97   12       52.4        2.5
  366   6   2   3 35.75   71.5     0.379    3.97   12       26.7        0.6
  367   5   3  -5 35.858  71.716   0.38     3.95   12       31.6        0.9
  368   5   3   5 35.858  71.716   0.38     3.95   12       44.0        1.7
  369   7   0   5 35.858  71.716   0.38     3.95   12        4.9        0.0
  370   5   0  12 36.011  72.023   0.382    3.92   12      153.8       20.9
  371   3   0  15 36.244  72.488   0.384    3.87   12       23.6        0.5
  372   6   2  -4 36.298  72.597   0.384    3.86   12       63.8        3.5
  373   6   2   4 36.298  72.597   0.384    3.86   12       62.7        3.4
  374   4   4  -6 36.337  72.674   0.385    3.85    6      208.2       18.8
  375   4   4   6 36.337  72.674   0.385    3.85    6      199.1       17.2
  376   1   1 -16 36.38   72.76    0.385    3.84    6       95.4        3.9
  377   1   1  16 36.38   72.76    0.385    3.84    6      101.3        4.4
  378   5   2  -9 36.423  72.847   0.385    3.83   12       19.9        0.3
  379   5   2   9 36.423  72.847   0.385    3.83   12       13.5        0.2
  380   4   1 -13 36.441  72.881   0.386    3.83   12       58.2        2.9
  381   4   1  13 36.441  72.881   0.386    3.83   12       21.7        0.4
  382   5   1 -11 36.5    73.001   0.386    3.82   12       30.6        0.8
  383   5   1  11 36.5    73.001   0.386    3.82   12       59.4        3.0
  384   6   1  -8 36.619  73.237   0.387    3.79   12       38.3        1.3
  385   6   1   8 36.619  73.237   0.387    3.79   12       21.5        0.4
  386   4   0  14 36.644  73.289   0.387    3.79   12       19.0        0.3
  387   5   3  -6 36.717  73.433   0.388    3.77   12       20.6        0.4
  388   5   3   6 36.717  73.433   0.388    3.77   12       29.3        0.7
  389   7   0   6 36.717  73.433   0.388    3.77   12       10.4        0.1
  390   2   0  16 36.759  73.519   0.388    3.77   12       29.0        0.7
  391   6   0  10 36.763  73.527   0.389    3.76   12       22.8        0.4
  392   3   3 -12 36.772  73.544   0.389    3.76    6       66.1        1.8
  393   3   3  12 36.772  73.544   0.389    3.76    6       73.9        2.3
  394   7   1   0 36.95   73.901   0.39     3.73   12      106.8        9.6
  395   6   2  -5 36.998  73.996   0.391    3.72   12       10.3        0.1
  396   6   2   5 36.998  73.996   0.391    3.72   12       27.0        0.6
  397   7   1  -1 37.028  74.056   0.391    3.71   12        7.4        0.0
  398   7   1   1 37.028  74.056   0.391    3.71   12       11.3        0.1
  399   4   3 -10 37.141  74.283   0.392    3.69   12       57.0        2.7
  400   4   3  10 37.141  74.283   0.392    3.69   12       24.7        0.5
  401   4   2 -12 37.15   74.3     0.392    3.69   12       10.1        0.1
  402   4   2  12 37.15   74.3     0.392    3.69   12       12.5        0.1
  403   7   1  -2 37.26   74.52    0.393    3.67   12      140.3       16.3
  404   7   1   2 37.26   74.52    0.393    3.67   12       98.8        8.1
  405   7   1  -3 37.646  75.291   0.396    3.6    12       38.1        1.2
  406   7   1   3 37.646  75.291   0.396    3.6    12       17.1        0.2
  407   5   3  -7 37.722  75.443   0.397    3.59   12       48.4        1.9
  408   5   3   7 37.722  75.443   0.397    3.59   12       38.0        1.2
  409   7   0   7 37.722  75.443   0.397    3.59   12       18.0        0.3
  410   3   1 -15 37.756  75.511   0.397    3.58   12       52.5        2.2
  411   3   1  15 37.756  75.511   0.397    3.58   12       66.0        3.5
  412   3   2 -14 37.776  75.551   0.398    3.58   12       70.8        4.0
  413   3   2  14 37.776  75.551   0.398    3.58   12      100.3        8.1
  414   6   2  -6 37.847  75.694   0.398    3.57   12       49.5        2.0
  415   6   2   6 37.847  75.694   0.398    3.57   12       45.3        1.6
  416   2   1 -16 37.889  75.779   0.399    3.56   12       16.4        0.2
  417   2   1  16 37.889  75.779   0.399    3.56   12       23.5        0.4
  418   5   2 -10 37.893  75.787   0.399    3.56   12       22.1        0.4
  419   5   2  10 37.893  75.787   0.399    3.56   12       57.9        2.7
  420   6   1  -9 37.932  75.865   0.399    3.56   12       26.1        0.5
  421   6   1   9 37.932  75.865   0.399    3.56   12       12.5        0.1
  422   5   0  13 37.949  75.899   0.399    3.55   12        9.2        0.1
  423   1   0  17 38.176  76.353   0.401    3.52   12       15.6        0.2
  424   7   1  -4 38.183  76.367   0.401    3.51   12      112.7       10.0
  425   7   1   4 38.183  76.367   0.401    3.51   12      115.2       10.5
  426   5   1 -12 38.276  76.552   0.402    3.5    12       85.5        5.8
  427   5   1  12 38.276  76.552   0.402    3.5    12       96.2        7.3
  428   6   0  11 38.382  76.764   0.403    3.48   12       10.7        0.1
  429   5   4   0 38.452  76.904   0.404    3.47   12       17.1        0.2
  430   4   4  -8 38.498  76.996   0.404    3.46    6       46.4        0.8
  431   4   4   8 38.498  76.996   0.404    3.46    6       57.3        1.3
  432   4   1 -14 38.523  77.047   0.404    3.46   12       35.8        1.0
  433   4   1  14 38.523  77.047   0.404    3.46   12       68.7        3.7
  434   5   4  -1 38.528  77.057   0.404    3.46   12       17.1        0.2
  435   5   4   1 38.528  77.057   0.404    3.46   12       26.2        0.5
  436   3   0  16 38.636  77.273   0.405    3.44   12        7.9        0.0
  437   4   3 -11 38.754  77.509   0.406    3.43   12       21.6        0.4
  438   4   3  11 38.754  77.509   0.406    3.43   12       48.6        1.8
  439   5   4  -2 38.757  77.515   0.406    3.43   12        8.2        0.1
  440   5   4   2 38.757  77.515   0.406    3.43   12       20.8        0.3
  441   6   2  -7 38.842  77.684   0.407    3.41   12        8.4        0.1
  442   6   2   7 38.842  77.684   0.407    3.41   12       14.0        0.2
  443   5   3  -8 38.87   77.741   0.407    3.41   12       30.9        0.7
  444   5   3   8 38.87   77.741   0.407    3.41   12       29.7        0.7
  445   7   0   8 38.87   77.741   0.407    3.41   12       16.7        0.2
  446   7   1  -5 38.871  77.743   0.407    3.41   12       14.4        0.2
  447   7   1   5 38.871  77.743   0.407    3.41   12       37.8        1.1
  448   4   0  15 38.876  77.751   0.407    3.41   12       91.1        6.4
  449   4   2 -13 39.068  78.135   0.409    3.38   12        5.2        0.0
  450   4   2  13 39.068  78.135   0.409    3.38   12        9.4        0.1
  451   5   4  -3 39.138  78.277   0.41     3.37   12       50.9        2.0
  452   5   4   3 39.138  78.277   0.41     3.37   12       27.3        0.6
  453   6   3   0 39.196  78.391   0.41     3.36   12      191.7       27.8
  454   6   3  -1 39.272  78.543   0.411    3.35   12       33.0        0.8
  455   6   3   1 39.272  78.543   0.411    3.35   12       56.7        2.4
  456   2   0  17 39.293  78.586   0.411    3.35   12        5.9        0.0
  457   6   1 -10 39.383  78.766   0.412    3.34   12       23.0        0.4
  458   6   1  10 39.383  78.766   0.412    3.34   12       12.7        0.1
  459   5   2 -11 39.496  78.993   0.413    3.32   12       13.6        0.1
  460   5   2  11 39.496  78.993   0.413    3.32   12       20.7        0.3
  461   6   3  -2 39.499  78.999   0.413    3.32   12       95.2        6.8
  462   6   3   2 39.499  78.999   0.413    3.32   12       58.7        2.6
  463   8   0   0 39.566  79.132   0.413    3.31    6       38.1        0.5
  464   8   0   1 39.642  79.283   0.414    3.3    12       29.4        0.6
  465   5   4  -4 39.67   79.34    0.414    3.3    12       31.5        0.7
  466   5   4   4 39.67   79.34    0.414    3.3    12       39.6        1.2
  467   7   1  -6 39.707  79.414   0.415    3.29   12       12.6        0.1
  468   7   1   6 39.707  79.414   0.415    3.29   12       37.3        1.0
  469   2   2 -16 39.749  79.498   0.415    3.29    6       23.0        0.2
  470   2   2  16 39.749  79.498   0.415    3.29    6       46.9        0.8
  471   8   0   2 39.869  79.738   0.416    3.27   12       20.6        0.3
  472   6   3  -3 39.878  79.757   0.416    3.27   12       19.1        0.3
  473   6   3   3 39.878  79.757   0.416    3.27   12        7.6        0.0
  474   6   2  -8 39.981  79.962   0.417    3.26   12       62.1        2.8
  475   6   2   8 39.981  79.962   0.417    3.26   12       70.5        3.6
  476   3   2 -15 39.986  79.973   0.417    3.26   12       79.7        4.7
  477   3   2  15 39.986  79.973   0.417    3.26   12       54.1        2.1
  478   5   0  14 40.006  80.012   0.417    3.25   12       16.1        0.2
  479   3   1 -16 40.118  80.236   0.418    3.24   12       37.4        1.0
  480   3   1  16 40.118  80.236   0.418    3.24   12       56.5        2.3
  481   6   0  12 40.13   80.26    0.418    3.24   12       65.2        3.1
  482   5   3  -9 40.16   80.32    0.419    3.23   12       47.4        1.6
  483   5   3   9 40.16   80.32    0.419    3.23   12       34.1        0.8
  484   7   0   9 40.16   80.32    0.419    3.23   12       24.5        0.4
  485   5   1 -13 40.177  80.354   0.419    3.23   12       27.4        0.5
  486   5   1  13 40.177  80.354   0.419    3.23   12       33.1        0.8
  487   8   0   3 40.247  80.494   0.419    3.22   12       65.1        3.1
  488   5   4  -5 40.35   80.701   0.42     3.21   12       13.1        0.1
  489   5   4   5 40.35   80.701   0.42     3.21   12       32.2        0.8
  490   2   1 -17 40.4    80.801   0.421    3.21   12        2.4        0.0
  491   2   1  17 40.4    80.801   0.421    3.21   12       18.3        0.2
  492   6   3  -4 40.407  80.815   0.421    3.21   12      101.4        7.4
  493   6   3   4 40.407  80.815   0.421    3.21   12      104.4        7.9
  494   0   0  18 40.466  80.931   0.421    3.2     2       25.4        0.1
  495   4   3 -12 40.498  80.997   0.422    3.19   12       69.6        3.5
  496   4   3  12 40.498  80.997   0.422    3.19   12       63.9        2.9
  497   7   2   0 40.672  81.343   0.423    3.17   12       83.1        4.9
  498   7   1  -7 40.689  81.379   0.423    3.17   12       15.0        0.2
  499   7   1   7 40.689  81.379   0.423    3.17   12       10.2        0.1
  500   4   1 -15 40.723  81.445   0.423    3.17   12       24.0        0.4
  501   4   1  15 40.723  81.445   0.423    3.17   12       26.9        0.5
  502   3   3 -14 40.742  81.484   0.424    3.17    6      101.6        3.7
  503   3   3  14 40.742  81.484   0.424    3.17    6       70.6        1.8
  504   7   2  -1 40.747  81.494   0.424    3.17   12       11.8        0.1
  505   7   2   1 40.747  81.494   0.424    3.17   12       19.8        0.3
  506   8   0   4 40.775  81.55    0.424    3.16   12       24.7        0.4
  507   1   0  18 40.833  81.666   0.424    3.16   12        1.8        0.0
  508   6   1 -11 40.97   81.94    0.426    3.14   12       41.8        1.2
  509   6   1  11 40.97   81.94    0.426    3.14   12        4.8        0.0
  510   7   2  -2 40.973  81.946   0.426    3.14   12       62.0        2.7
  511   7   2   2 40.973  81.946   0.426    3.14   12       85.7        5.2
  512   6   3  -5 41.085  82.17    0.427    3.13   12       16.5        0.2
  513   6   3   5 41.085  82.17    0.427    3.13   12       14.8        0.2
  514   4   2 -14 41.109  82.218   0.427    3.13   12       75.6        4.0
  515   4   2  14 41.109  82.218   0.427    3.13   12       79.9        4.5
  516   3   0  17 41.135  82.27    0.427    3.12   12       31.5        0.7
  517   5   4  -6 41.179  82.358   0.427    3.12   12       43.1        1.3
  518   5   4   6 41.179  82.358   0.427    3.12   12       47.2        1.6
  519   4   0  16 41.22   82.441   0.428    3.11   12       33.4        0.8
  520   4   4 -10 41.224  82.448   0.428    3.11    6       79.9        2.2
  521   4   4  10 41.224  82.448   0.428    3.11    6      120.9        5.1
  522   5   2 -12 41.232  82.465   0.428    3.11   12      120.2       10.1
  523   5   2  12 41.232  82.465   0.428    3.11   12      136.2       13.0
  524   6   2  -9 41.262  82.525   0.428    3.11   12       14.1        0.1
  525   6   2   9 41.262  82.525   0.428    3.11   12        9.3        0.1
  526   7   2  -3 41.349  82.697   0.429    3.1    12       11.8        0.1
  527   7   2   3 41.349  82.697   0.429    3.1    12       23.3        0.4
  528   8   0   5 41.451  82.903   0.43     3.09   12       24.3        0.4
  529   1   1 -18 41.566  83.132   0.431    3.08    6       37.1        0.5
  530   1   1  18 41.566  83.132   0.431    3.08    6       37.9        0.5
  531   5   3 -10 41.59   83.181   0.431    3.08   12       48.5        1.6
  532   5   3  10 41.59   83.181   0.431    3.08   12       40.1        1.1
  533   7   0  10 41.59   83.181   0.431    3.08   12       13.1        0.1
  534   7   1  -8 41.816  83.632   0.433    3.06   12        8.6        0.1
  535   7   1   8 41.816  83.632   0.433    3.06   12       11.1        0.1
  536   7   2  -4 41.874  83.747   0.433    3.05   12       56.3        2.2
  537   7   2   4 41.874  83.747   0.433    3.05   12       47.7        1.6
  538   6   3  -6 41.911  83.821   0.434    3.05   12       14.5        0.1
  539   6   3   6 41.911  83.821   0.434    3.05   12       34.7        0.8
  540   2   0  18 41.931  83.863   0.434    3.04   12        8.8        0.1
  541   6   0  13 42.01   84.021   0.434    3.04   12       19.0        0.2
  542   5   4  -7 42.154  84.307   0.436    3.02   12       17.0        0.2
  543   5   4   7 42.154  84.307   0.436    3.02   12       14.7        0.1
  544   5   0  15 42.187  84.374   0.436    3.02   12       50.6        1.7
  545   5   1 -14 42.206  84.412   0.436    3.02   12       52.6        1.9
  546   5   1  14 42.206  84.412   0.436    3.02   12       82.1        4.6
  547   8   0   6 42.276  84.551   0.437    3.01   12        8.4        0.0
  548   3   2 -16 42.317  84.634   0.437    3.01   12       63.1        2.7
  549   3   2  16 42.317  84.634   0.437    3.01   12       67.7        3.1
  550   4   3 -13 42.375  84.751   0.437    3.0    12        5.9        0.0
  551   4   3  13 42.375  84.751   0.437    3.0    12       12.5        0.1
  552   7   2  -5 42.547  85.094   0.439    2.99   12        5.6        0.0
  553   7   2   5 42.547  85.094   0.439    2.99   12       17.8        0.2
  554   3   1 -17 42.597  85.193   0.439    2.99   12       20.9        0.3
  555   3   1  17 42.597  85.193   0.439    2.99   12       18.4        0.2
  556   6   2 -10 42.686  85.371   0.44     2.98   12       90.6        5.5
  557   6   2  10 42.686  85.371   0.44     2.98   12      107.6        7.8
  558   6   1 -12 42.694  85.387   0.44     2.98   12       10.4        0.1
  559   6   1  12 42.694  85.387   0.44     2.98   12       22.0        0.3
  560   8   1   0 42.865  85.731   0.442    2.96   12        6.9        0.0
  561   6   3  -7 42.883  85.766   0.442    2.96   12       55.6        2.1
  562   6   3   7 42.883  85.766   0.442    2.96   12       24.7        0.4
  563   8   1  -1 42.94   85.88    0.442    2.96   12       23.6        0.4
  564   8   1   1 42.94   85.88    0.442    2.96   12       65.8        2.9
  565   2   1 -18 43.025  86.051   0.443    2.95   12       91.3        5.5
  566   2   1  18 43.025  86.051   0.443    2.95   12      102.0        6.9
  567   4   1 -16 43.046  86.092   0.443    2.95   12      127.9       10.9
  568   4   1  16 43.046  86.092   0.443    2.95   12      129.2       11.1
  569   7   1  -9 43.088  86.175   0.443    2.95   12       23.3        0.4
  570   7   1   9 43.088  86.175   0.443    2.95   12        4.1        0.0
  571   5   2 -13 43.104  86.208   0.444    2.95   12       25.9        0.4
  572   5   2  13 43.104  86.208   0.444    2.95   12        6.9        0.0
  573   5   3 -11 43.161  86.322   0.444    2.94   12       21.8        0.3
  574   5   3  11 43.161  86.322   0.444    2.94   12       19.9        0.3
  575   7   0  11 43.161  86.322   0.444    2.94   12       10.0        0.1
  576   8   1  -2 43.164  86.328   0.444    2.94   12       56.0        2.1
  577   8   1   2 43.164  86.328   0.444    2.94   12       70.3        3.3
  578   8   0   7 43.247  86.494   0.445    2.94   12       13.2        0.1
  579   5   4  -8 43.275  86.549   0.445    2.93   12       53.4        1.9
  580   5   4   8 43.275  86.549   0.445    2.93   12       52.2        1.8
  581   4   2 -15 43.28   86.56    0.445    2.93   12       41.0        1.1
  582   4   2  15 43.28   86.56    0.445    2.93   12       79.6        4.2
  583   7   2  -6 43.369  86.737   0.446    2.93   12      128.2       10.8
  584   7   2   6 43.369  86.737   0.446    2.93   12      108.3        7.7
  585   8   1  -3 43.537  87.074   0.447    2.91   12       23.7        0.4
  586   8   1   3 43.537  87.074   0.447    2.91   12       13.6        0.1
  587   5   5   0 43.593  87.187   0.448    2.91    6      127.9        5.4
  588   1   0  19 43.603  87.206   0.448    2.91   12       13.4        0.1
  589   4   0  17 43.689  87.377   0.448    2.9    12       16.0        0.2
  590   3   0  18 43.753  87.506   0.449    2.9    12        8.0        0.0
  591   5   5  -2 43.892  87.783   0.45     2.89    6       65.3        1.4
  592   5   5   2 43.892  87.783   0.45     2.89    6       36.8        0.4
  593   6   4   0 43.957  87.914   0.451    2.89   12       11.4        0.1
  594   6   3  -8 44.002  88.004   0.451    2.88   12       59.3        2.3
  595   6   3   8 44.002  88.004   0.451    2.88   12       54.8        2.0
  596   6   0  14 44.027  88.053   0.451    2.88   12       12.1        0.1
  597   6   4  -1 44.031  88.063   0.451    2.88   12        5.9        0.0
  598   6   4   1 44.031  88.063   0.451    2.88   12       21.5        0.3
  599   8   1  -4 44.059  88.118   0.451    2.88   12       72.1        3.4
  600   8   1   4 44.059  88.118   0.451    2.88   12       72.4        3.4
  601   6   2 -11 44.252  88.504   0.453    2.87   12       24.5        0.4
  602   6   2  11 44.252  88.504   0.453    2.87   12       10.9        0.1
  603   6   4  -2 44.255  88.51    0.453    2.87   12       44.2        1.3
  604   6   4   2 44.255  88.51    0.453    2.87   12       62.9        2.6
  605   7   2  -7 44.338  88.675   0.454    2.86   12       35.9        0.8
  606   7   2   7 44.338  88.675   0.454    2.86   12       17.8        0.2
  607   8   0   8 44.365  88.731   0.454    2.86   12       79.0        4.0
  608   5   1 -15 44.371  88.741   0.454    2.86   12       53.9        1.9
  609   5   1  15 44.371  88.741   0.454    2.86   12       42.2        1.1
  610   4   3 -14 44.39   88.78    0.454    2.86   12       85.7        4.7
  611   4   3  14 44.39   88.78    0.454    2.86   12      100.9        6.6
  612   5   0  16 44.5    89.0     0.455    2.85   12      109.8        7.7
  613   7   1 -10 44.504  89.008   0.455    2.85   12      118.1        9.0
  614   7   1  10 44.504  89.008   0.455    2.85   12       86.7        4.8
  615   4   4 -12 44.512  89.025   0.455    2.85    6      184.2       10.9
  616   4   4  12 44.512  89.025   0.455    2.85    6      165.2        8.8
  617   5   4  -9 44.542  89.084   0.455    2.85   12        7.9        0.0
  618   5   4   9 44.542  89.084   0.455    2.85   12       10.4        0.1
  619   6   1 -13 44.558  89.117   0.455    2.85   12       14.4        0.1
  620   6   1  13 44.558  89.117   0.455    2.85   12       19.2        0.2
  621   6   4  -3 44.627  89.255   0.456    2.85   12        5.5        0.0
  622   6   4   3 44.627  89.255   0.456    2.85   12       35.9        0.8
  623   2   0  19 44.693  89.386   0.457    2.84   12       32.9        0.7
  624   8   1  -5 44.73   89.459   0.457    2.84   12       25.9        0.4
  625   8   1   5 44.73   89.459   0.457    2.84   12       13.5        0.1
  626   3   2 -17 44.779  89.558   0.457    2.84   12       31.8        0.6
  627   3   2  17 44.779  89.558   0.457    2.84   12       16.3        0.2
  628   5   5  -4 44.786  89.571   0.457    2.84    6       11.5        0.0
  629   5   5   4 44.786  89.571   0.457    2.84    6        9.1        0.0
  630   2   2 -18 44.843  89.686   0.458    2.84    6      109.8        3.8
  631   2   2  18 44.843  89.686   0.458    2.84    6      120.3        4.6
  632   5   3 -12 44.876  89.751   0.458    2.83   12       14.7        0.1
  633   5   3  12 44.876  89.751   0.458    2.83   12       24.7        0.4
  634   7   0  12 44.876  89.751   0.458    2.83   12       41.3        1.1


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (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   2   4.135   8.27  10.682         11.5      1.5      1.5     5.6
    2   1   0   0   4.567   9.134  9.67437      750.4    100.0    100.0     5.6
    3   1   0   1   5.014  10.029  8.81289       36.2      4.8      4.8     5.6
    4   1   0   2   6.167  12.333  7.17065       10.1      1.3      1.3     5.6
    5   1   0   3   7.719  15.437  5.73509       19.5      2.6      2.6     5.6
    6   1   1   0   7.927  15.854  5.5855       442.8     59.0     58.8     5.6
    7   1   1   2   8.953  17.906  4.94968      104.5     13.9     13.8     5.6
    8   2   0   0   9.163  18.326  4.83718       39.7      5.3      5.3     5.6
    9   2   0   1   9.397  18.794  4.71777        7.9      1.0      1.0     5.6
   10   1   0   4   9.482  18.964  4.67576      284.2     37.9     37.6     5.6
   11   2   0   3  11.099  22.198  4.00139       42.8      5.7      5.7     5.6
   12   1   1   4  11.51   23.021  3.8602       386.1     51.4     51.0     5.6
   13   2   1   0  12.161  24.322  3.65657       21.7      2.9      2.9     5.6
   14   2   1   1  12.34   24.681  3.60416       12.1      1.6      1.6     5.6
   15   2   0   4  12.406  24.813  3.58533       93.3     12.4     12.3     5.6
   16   2   1   2  12.865  25.73   3.45949      176.3     23.5     23.2     5.6
   17   2   1   3  13.698  27.396  3.25282       42.3      5.6      5.6     5.6
   18   3   0   0  13.819  27.639  3.22479      100.8     13.4     13.3     5.6
   19   3   0   1  13.979  27.958  3.18867        9.3      1.2      1.2     5.6
   20   1   1   6  14.865  29.731  3.00247       58.5      7.8      7.7     5.6
   21   1   0   7  15.346  30.692  2.9106         8.9      1.2      1.2     5.6
   22   2   2   0  16.011  32.021  2.79275       26.5      3.5      3.5     5.6
   23   2   1   5  16.097  32.194  2.77815       10.4      1.4      1.4     5.6
   24   3   0   4  16.202  32.404  2.76062      274.3     36.6     36.0     5.6
   25   2   2   2  16.564  33.128  2.70193       14.1      1.9      1.9     5.6
   26   3   1   0  16.683  33.366  2.68319       31.6      4.2      4.1     5.7
   27   0   0   8  16.765  33.529  2.6705        65.2      8.7      8.5     5.7
   28   3   1   1  16.818  33.636  2.66227       24.7      3.3      3.2     5.7
   29   3   1   2  17.217  34.434  2.60234      130.6     17.4     17.1     5.7
   30   2   1   6  17.575  35.15   2.551        361.3     48.1     47.3     5.7
   31   3   1   3  17.865  35.73   2.51087       29.2      3.9      3.8     5.7
   32   2   2   4  18.134  36.268  2.47484       18.3      2.4      2.4     5.7
   33   1   1   8  18.646  37.291  2.40929       21.5      2.9      2.8     5.7
   34   3   1   4  18.74   37.479  2.39763       63.2      8.4      8.3     5.7
   35   2   0   8  19.237  38.474  2.33788       32.1      4.3      4.2     5.7
   36   3   2   0  20.308  40.615  2.21945       49.7      6.6      6.5     5.7
   37   4   0   4  20.464  40.928  2.20322       18.1      2.4      2.4     5.7
   38   2   2   6  20.52   41.04   2.19746      320.7     42.7     41.7     5.7
   39   3   2   2  20.761  41.522  2.17304       39.7      5.3      5.2     5.7
   40   3   1   6  21.067  42.134  2.14288      174.0     23.2     22.6     5.7
   41   3   2   3  21.317  42.633  2.11893       34.4      4.6      4.5     5.7
   42   4   1   0  21.399  42.799  2.11112       28.1      3.7      3.6     5.7
   43   4   0   5  21.467  42.934  2.10479        8.7      1.2      1.1     5.7
   44   4   1   2  21.834  43.669  2.07106       23.9      3.2      3.1     5.7
   45   3   2   4  22.076  44.151  2.04954       41.8      5.6      5.4     5.7
   46   1   1  10  22.707  45.415  1.99542       14.8      2.0      1.9     5.7
   47   3   2   5  23.022  46.044  1.96959       12.5      1.7      1.6     5.7
   48   4   1   4  23.1    46.2    1.96331       22.7      3.0      2.9     5.7
   49   5   0   0  23.46   46.919  1.93487       82.8     11.0     10.7     5.7
   50   2   2   8  23.521  47.042  1.9301        12.6      1.7      1.6     5.7
   51   4   0   7  23.976  47.953  1.89555        8.7      1.2      1.1     5.7
   52   4   1   5  24.015  48.03   1.8927        17.0      2.3      2.2     5.7
   53   3   3   0  24.439  48.878  1.86183        9.8      1.3      1.3     5.7
   54   2   1  10  24.682  49.364  1.84463       58.6      7.8      7.5     5.7
   55   3   3   2  24.832  49.664  1.83418       45.9      6.1      5.9     5.7
   56   4   2   1  25.015  50.03   1.82163       12.6      1.7      1.6     5.7
   57   5   0   4  25.051  50.102  1.81918       19.1      2.5      2.5     5.7
   58   4   2   2  25.305  50.61   1.80208       21.7      2.9      2.8     5.8
   59   4   0   8  25.448  50.895  1.79266       13.9      1.9      1.8     5.8
   60   0   0  12  25.637  51.273  1.78033       28.4      3.8      3.7     5.8
   61   3   3   4  25.985  51.97   1.75808       33.5      4.5      4.3     5.8
   62   1   0  12  26.099  52.198  1.75093       33.1      4.4      4.2     5.8
   63   5   1   0  26.315  52.63   1.73757       15.2      2.0      1.9     5.8
   64   5   1   2  26.688  53.376  1.71503       22.7      3.0      2.9     5.8
   65   1   1  12  27.008  54.015  1.69625       53.0      7.1      6.8     5.8
   66   5   1   3  27.15   54.299  1.68805        8.0      1.1      1.0     5.8
   67   3   1  10  27.444  54.888  1.67133       62.8      8.4      8.0     5.8
   68   4   1   8  27.717  55.435  1.65613       90.0     12.0     11.5     5.8
   69   5   1   4  27.787  55.573  1.65233       25.6      3.4      3.3     5.8
   70   6   0   0  28.537  57.074  1.61239       71.5      9.5      9.1     5.8
   71   4   3   0  28.968  57.935  1.59046       18.3      2.4      2.3     5.8
   72   4   3   2  29.318  58.636  1.57312       21.9      2.9      2.8     5.8
   73   5   0   8  29.447  58.893  1.56684       53.6      7.1      6.8     5.8
   74   4   3   3  29.752  59.504  1.55222        8.4      1.1      1.1     5.8
   75   5   2   2  30.161  60.322  1.5331         8.3      1.1      1.1     5.8
   76   4   2   8  30.703  61.406  1.50861       15.7      2.1      2.0     5.8
   77   2   2  12  30.87   61.741  1.50124       58.8      7.8      7.5     5.8
   78   5   2   4  31.18   62.359  1.48782       15.6      2.1      2.0     5.8
   79   3   1  12  31.281  62.562  1.48348       10.4      1.4      1.3     5.8
   80   6   1   1  31.557  63.115  1.47182        8.1      1.1      1.0     5.9
   81   5   1   8  31.93   63.861  1.45642       14.8      2.0      1.9     5.9
   82   4   3   6  32.035  64.069  1.45217       16.8      2.2      2.1     5.9
   83   5   2   6  32.837  65.674  1.42052       12.1      1.6      1.5     5.9
   84   3   3  10  33.284  66.567  1.40362        9.8      1.3      1.2     5.9
   85   3   2  12  33.687  67.374  1.38875       10.0      1.3      1.3     5.9
   86   4   4   4  34.762  69.524  1.35097       20.9      2.8      2.6     5.9
   87   0   0  16  35.231  70.463  1.33525       12.2      1.6      1.5     5.9
   88   6   2   2  35.357  70.713  1.33114       20.2      2.7      2.5     5.9
   89   2   1  15  35.479  70.958  1.32714        9.0      1.2      1.1     5.9
   90   1   0  16  35.616  71.232  1.32271       12.1      1.6      1.5     5.9
   91   5   0  12  36.011  72.023  1.31012       20.9      2.8      2.6     5.9
   92   4   4   6  36.337  72.674  1.29998       36.0      4.8      4.5     6.0
   93   1   1  16  36.38   72.76   1.29866        8.4      1.1      1.0     6.0
   94   7   1   0  36.95   73.901  1.2814         9.6      1.3      1.2     6.0
   95   7   1   2  37.26   74.52   1.27228       24.3      3.2      3.0     6.0
   96   3   2  14  37.776  75.551  1.25745       17.9      2.4      2.2     6.0
   97   7   1   4  38.183  76.367  1.24604       20.6      2.7      2.5     6.0
   98   5   1  12  38.276  76.552  1.24349       13.1      1.7      1.6     6.0
   99   6   3   0  39.196  78.391  1.21886       27.8      3.7      3.4     6.0
  100   6   3   2  39.499  78.999  1.211          9.4      1.2      1.1     6.0
  101   3   2  15  39.986  79.973  1.19868       13.5      1.8      1.6     6.0
  102   6   0  12  40.13   80.26   1.19511       10.7      1.4      1.3     6.0
  103   6   3   4  40.407  80.815  1.18831       15.3      2.0      1.9     6.1
  104   7   2   2  40.973  81.946  1.17474        9.2      1.2      1.1     6.1
  105   4   2  14  41.109  82.218  1.17154        9.2      1.2      1.1     6.1
  106   5   2  12  41.232  82.465  1.16866       30.5      4.1      3.7     6.1
  107   5   1  14  42.206  84.412  1.14659        8.2      1.1      1.0     6.1
  108   6   2  10  42.686  85.371  1.13615       13.7      1.8      1.7     6.1
  109   4   1  16  43.046  86.092  1.12848       34.4      4.6      4.2     6.1
  110   4   2  15  43.28   86.56   1.12357        9.0      1.2      1.1     6.1
  111   7   2   6  43.369  86.737  1.12173       18.6      2.5      2.2     6.1
  112   4   3  14  44.39   88.78   1.10113       18.3      2.4      2.2     6.2
  113   4   4  12  44.512  89.025  1.09873       41.2      5.5      4.9     6.2
  114   2   2  18  44.843  89.686  1.09233        8.5      1.1      1.0     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)