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

                            ***

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

1, t-kyanite, f-kyanite

Al(2)[SiO(5)]


Triclinic  P 1(-)  Z = 4

P1(-)

10 .5 .1988

Ref.Str.:

         De Rondo C., Tsoucaris J. (1966)

         * Bull. Mineral., 89, 419-424

                   Initial data from BDM-file 

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

             a =   7.11     alpha =   89.88
             b =   7.83     beta  =  101.23
             c =   5.58     gamma =  106.1 

    Unit cell volume (cub. angs.) =   292.3 

    Molar volume ( cub.cm/mol.) =    44.02

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

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

   1 0.1739  0.7959  0.0424   0.0    Al    = 1.00
   2 0.2026  0.8011  0.5502   0.0    Al    = 1.00
   3 0.4     0.1134  0.859    0.0    Al    = 1.00
   4 0.388   0.5929  0.3348   0.0    Al    = 1.00
   5 0.2035  0.4347  0.7931   0.0    Si    = 1.00
   6 0.209   0.1687  0.3108   0.0    Si    = 1.00
   7 0.3904  0.3538  0.3721   0.0    O     = 1.00
   8 0.3767  0.814   0.3192   0.0    O     = 1.00
   9 0.2259  0.0464  0.5441   0.0    O     = 1.00
  10 0.2169  0.5657  0.5653   0.0    O     = 1.00
  11 0.3899  0.3465  0.8327   0.0    O     = 1.00
  12 0.378   0.8688  0.8608   0.0    O     = 1.00
  13 0.2169  0.0542  0.07     0.0    O     = 1.00
  14 0.2081  0.5528  0.0351   0.0    O     = 1.00
  15 0.9995  0.2255  0.2562   0.0    O     = 1.00
  16 0.9982  0.2682  0.7438   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1739     0.7959     0.0424
     2       2     0.2026     0.8011     0.5502
     3       3     0.4        0.1134     0.859 
     4       4     0.388      0.5929     0.3348
     5       5     0.2035     0.4347     0.7931
     6       6     0.209      0.1687     0.3108
     7       7     0.3904     0.3538     0.3721
     8       8     0.3767     0.814      0.3192
     9       9     0.2259     0.0464     0.5441
    10      10     0.2169     0.5657     0.5653
    11      11     0.3899     0.3465     0.8327
    12      12     0.378      0.8688     0.8608
    13      13     0.2169     0.0542     0.07  
    14      14     0.2081     0.5528     0.0351
    15      15     0.9995     0.2255     0.2562
    16      16     0.9982     0.2682     0.7438
    17       1     0.8261     0.2041     0.9576
    18       2     0.7974     0.1989     0.4498
    19       3     0.6        0.8866     0.141 
    20       4     0.612      0.4071     0.6652
    21       5     0.7965     0.5653     0.2069
    22       6     0.791      0.8313     0.6892
    23       7     0.6096     0.6462     0.6279
    24       8     0.6233     0.186      0.6808
    25       9     0.7741     0.9536     0.4559
    26      10     0.7831     0.4343     0.4347
    27      11     0.6101     0.6535     0.1673
    28      12     0.622      0.1312     0.1392
    29      13     0.7831     0.9458     0.93  
    30      14     0.7919     0.4472     0.9649
    31      15     0.0005     0.7745     0.7438
    32      16     0.0018     0.7318     0.2562


X-ray density (g/cm cub.)   =      3.68

MU (1/cm) =     119.135    Mass attenuation coefficient (cm**2/g) =     32.365

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

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

    1    Al                  2.316        6
                                                 1.8721       8
                                                 1.8893      12
                                                 1.9615      13
                                                 1.9862      14
                                                 1.8468      15
                                                 1.8433      16
    2    Al                  2.316        6
                                                 1.9379       8
                                                 1.8823       9
                                                 1.8748      10
                                                 1.9067      12
                                                 1.9269      15
                                                 1.9199      16
    3    Al                  2.316        6
                                                 1.9213       9
                                                 1.8508      11
                                                 1.878       12
                                                 1.8857      13
                                                 1.9861       8
                                                 1.968       12
    4    Al                  2.316        6
                                                 1.8877       7
                                                 1.7564       8
                                                 1.909       10
                                                 1.8648      14
                                                 1.9915       7
                                                 1.9364      11
    5    Si                  2.1          4
                                                 1.6323      10
                                                 1.6356      11
                                                 1.6282      14
                                                 1.6418      16
    6    Si                  2.1          4
                                                 1.6354       7
                                                 1.6198       9
                                                 1.6355      13
                                                 1.643       15
    7    O                   3.264       12
                                                 2.636        9
                                                 2.6641      10
                                                 2.5713      11
                                                 3.0098      11
                                                 2.7328      13
                                                 2.7933      14
                                                 2.6279      15
                                                 2.6223       7
                                                 2.7426       8
                                                 2.6382      10
                                                 2.8114      11
                                                 3.1422      12
    8    O                   3.264       11
                                                 2.7661       9
                                                 2.5155      10
                                                 3.0512      12
                                                 2.5941      12
                                                 2.7057      13
                                                 2.459       14
                                                 2.7426       7
                                                 2.6854       9
                                                 2.6001      11
                                                 2.9135      12
                                                 2.5154      16
    9    O                   3.264       12
                                                 2.636        7
                                                 2.7661       8
                                                 2.6906      11
                                                 2.5111      12
                                                 2.9488      13
                                                 2.6348      13
                                                 2.7155      15
                                                 3.0247      16
                                                 2.6854       8
                                                 3.0299       9
                                                 2.6713      15
                                                 2.8338      16
   10    O                   3.264       12
                                                 2.6641       7
                                                 2.5155       8
                                                 2.6703      11
                                                 2.727       12
                                                 2.6354      14
                                                 2.9483      14
                                                 3.026       15
                                                 2.7241      16
                                                 2.6382       7
                                                 2.9104      10
                                                 2.8339      15
                                                 2.6593      16
   11    O                   3.264       12
                                                 3.0098       7
                                                 2.5713       7
                                                 2.6906       9
                                                 2.6703      10
                                                 2.7504      13
                                                 2.7         14
                                                 2.6257      16
                                                 2.8114       7
                                                 2.6001       8
                                                 2.9169      11
                                                 2.9869      12
                                                 2.6957      14
   12    O                   3.264       12
                                                 2.5941       8
                                                 3.0512       8
                                                 2.5111       9
                                                 2.727       10
                                                 2.4964      13
                                                 2.705       14
                                                 3.1422       7
                                                 2.9135       8
                                                 2.9869      11
                                                 2.5751      12
                                                 2.7227      13
                                                 2.529       15
   13    O                   3.264       12
                                                 2.7328       7
                                                 2.7057       8
                                                 2.6348       9
                                                 2.9488       9
                                                 2.7504      11
                                                 2.4964      12
                                                 2.655       15
                                                 2.978       16
                                                 2.7227      12
                                                 2.9079      13
                                                 2.7448      15
                                                 2.8736      16
   14    O                   3.264       12
                                                 2.7933       7
                                                 2.459        8
                                                 2.9483      10
                                                 2.6354      10
                                                 2.7         11
                                                 2.705       12
                                                 2.9801      15
                                                 2.6573      16
                                                 2.6957      11
                                                 2.7905      14
                                                 2.8825      15
                                                 2.7368      16
   15    O                   3.264       12
                                                 2.6279       7
                                                 2.7155       9
                                                 3.026       10
                                                 2.655       13
                                                 2.9801      14
                                                 2.7441      16
                                                 2.8765      16
                                                 2.6713       9
                                                 2.8339      10
                                                 2.529       12
                                                 2.7448      13
                                                 2.8825      14
   16    O                   3.264       12
                                                 3.0247       9
                                                 2.7241      10
                                                 2.6257      11
                                                 2.978       13
                                                 2.6573      14
                                                 2.8765      15
                                                 2.7441      15
                                                 2.5154       8
                                                 2.8338       9
                                                 2.6593      10
                                                 2.8736      13
                                                 2.7368      14

  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   1   0  5.886  11.772   0.067  187.22    2        1.0        0.4
    2   1   0   0  6.611  13.223   0.075  147.91    2        7.9       21.6
    3  -1   1   0  7.515  15.03    0.085  113.97    2        9.5       24.3
    4   0   0   1  8.103  16.206   0.091   97.72    2        0.2        0.0
    5  -1   0   1  9.38   18.76    0.106   72.36    2        0.8        0.1
    6   0  -1   1  9.769  19.538   0.11    66.55    2        1.6        0.4
    7   1   1   0 10.048  20.095   0.113   62.79    2       15.6       36.0
    8   0   1   1 10.301  20.602   0.116   59.64    2       27.1      102.7
    9  -1   1   1 10.306  20.612   0.116   59.58    2       26.2       95.4
   10   1   0   1 11.491  22.981   0.129   47.51    2        0.7        0.1
   11   1  -1   1 11.817  23.635   0.133   44.8     2        9.6        9.7
   12  -1   2   0 11.824  23.648   0.133   44.75    2       17.9       33.7
   13   0   2   0 11.835  23.67    0.133   44.66    2       23.0       55.1
   14  -1  -1   1 11.848  23.696   0.133   44.56    2       11.3       13.4
   15  -2   1   0 12.948  25.897   0.145   36.98    2       18.1       28.3
   16   2   0   0 13.313  26.626   0.149   34.87    2       72.6      430.4
   17   1   1   1 13.992  27.983   0.157   31.38    2       59.3      258.5
   18  -1   2   1 13.994  27.989   0.157   31.36    2       46.8      160.5
   19  -2   1   1 14.003  28.006   0.157   31.32    2       60.0      264.2
   20   0  -2   1 14.027  28.054   0.157   31.21    2       52.9      204.1
   21  -2   0   1 14.151  28.303   0.159   30.63    2        6.6        3.1
   22   0   2   1 14.784  29.568   0.166   27.9     2       32.6       69.5
   23   1  -2   1 14.797  29.595   0.166   27.85    2       28.0       51.2
   24  -2   2   0 15.164  30.327   0.17    26.42    2       32.4       65.1
   25   1   2   0 15.19   30.38    0.17    26.33    2       28.4       49.6
   26   2   1   0 16.097  32.194   0.18    23.24    2       11.8        7.6
   27  -2   2   1 16.256  32.511   0.182   22.75    2        5.2        1.5
   28  -1  -2   1 16.3    32.6     0.182   22.61    2        0.3        0.0
   29   0   0   2 16.374  32.748   0.183   22.39    2       16.8       14.8
   30  -1   0   2 16.388  32.777   0.183   22.35    2       16.9       14.9
   31   2  -1   1 16.598  33.197   0.185   21.74    2       59.4      179.3
   32  -2  -1   1 16.643  33.286   0.186   21.61    2       57.6      167.9
   33   2   0   1 17.054  34.108   0.19    20.5     2       10.5        5.3
   34  -1   1   2 17.119  34.237   0.191   20.33    2       23.2       25.7
   35   0  -1   2 17.135  34.269   0.191   20.29    2       19.3       17.7
   36  -1   3   0 17.246  34.493   0.192   20.0     2       20.5       19.6
   37   0   1   2 17.772  35.545   0.198   18.73    2       60.9      162.4
   38  -1  -1   2 17.815  35.63    0.199   18.63    2       48.0      100.6
   39   0   3   0 17.917  35.834   0.2     18.4     2       58.8      149.0
   40   2  -2   1 18.265  36.529   0.203   17.64    2       25.6       27.1
   41   1   2   1 18.269  36.537   0.203   17.64    2       19.0       14.9
   42   1   0   2 18.986  37.972   0.211   16.2     2       34.2       44.3
   43  -1   3   1 18.999  37.998   0.211   16.18    2        2.6        0.2
   44  -2   0   2 19.024  38.049   0.212   16.13    2       32.7       40.4
   45   1  -1   2 19.048  38.096   0.212   16.08    2       58.6      129.4
   46  -2   1   2 19.059  38.117   0.212   16.06    2       67.9      173.1
   47  -2   3   0 19.155  38.311   0.213   15.89    2       61.4      140.3
   48   1  -3   1 19.328  38.657   0.215   15.57    2       37.9       52.5
   49   0  -3   1 19.345  38.691   0.215   15.54    2       40.8       60.7
   50  -3   1   0 19.353  38.707   0.215   15.53    2        0.6        0.0
   51   2   1   1 19.502  39.005   0.217   15.27    2        6.2        1.4
   52  -3   1   1 19.516  39.032   0.217   15.24    2        5.9        1.2
   53  -1   2   2 19.797  39.594   0.22    14.77    2       28.4       28.0
   54   0  -2   2 19.838  39.675   0.22    14.7     2       23.8       19.5
   55  -2   3   1 20.197  40.394   0.224   14.12    2       29.8       29.4
   56   0   3   1 20.205  40.41    0.224   14.11    2       23.7       18.5
   57   3   0   0 20.207  40.413   0.224   14.11    2       24.0       19.1
   58  -3   0   1 20.223  40.447   0.224   14.08    2        4.5        0.7
   59  -3   2   0 20.388  40.777   0.226   13.83    2       35.3       40.3
   60   2   2   0 20.422  40.844   0.226   13.78    2       31.8       32.6
   61  -3   2   1 20.683  41.365   0.229   13.39    2       26.3       21.6
   62  -2  -2   1 20.732  41.465   0.23    13.32    2       33.1       34.1
   63   1   1   2 20.81   41.619   0.231   13.21    2       38.8       46.5
   64  -2  -1   2 20.871  41.741   0.231   13.13    2       48.6       72.5
   65   1   3   0 20.955  41.909   0.232   13.01    2       50.0       76.1
   66   0   2   2 20.955  41.91    0.232   13.01    2       15.8        7.6
   67  -2   2   2 20.965  41.931   0.232   12.99    2       13.8        5.8
   68   1  -2   2 20.981  41.962   0.232   12.97    2        7.5        1.7
   69  -1  -2   2 21.018  42.035   0.233   12.92    2       12.2        4.5
   70   2  -3   1 21.63   43.261   0.239   12.12    2        6.0        1.0
   71  -1  -3   1 21.676  43.353   0.24    12.06    2        0.7        0.0
   72   3  -1   1 22.608  45.215   0.25    10.97    2       42.1       45.6
   73  -3  -1   1 22.659  45.319   0.25    10.91    2       43.3       47.9
   74   3   1   0 22.772  45.544   0.251   10.79    2        2.7        0.2
   75   2  -1   2 23.005  46.009   0.254   10.54    2       28.9       20.6
   76  -3   1   2 23.036  46.072   0.254   10.51    2       18.4        8.4
   77  -3   3   0 23.102  46.204   0.255   10.44    2       21.1       10.9
   78  -1   4   0 23.173  46.345   0.255   10.37    2      120.1      350.2
   79   3  -2   1 23.4    46.801   0.258   10.15    2       20.0        9.5
   80   2   2   1 23.416  46.831   0.258   10.13    2       30.2       21.7
   81   2   0   2 23.479  46.958   0.259   10.07    2      120.1      339.8
   82   3   0   1 23.488  46.977   0.259   10.06    2        9.0        1.9
   83  -3   3   1 23.494  46.987   0.259   10.05    2       14.5        5.0
   84   1   3   1 23.508  47.016   0.259   10.04    2       11.2        3.0
   85  -3   0   2 23.533  47.066   0.259   10.02    2      121.2      344.4
   86  -1   3   2 23.874  47.748   0.263    9.69    2        1.0        0.0
   87   0  -3   2 23.932  47.865   0.263    9.64    2        1.9        0.1
   88   1   2   2 24.167  48.335   0.266    9.43    2        3.8        0.3
   89   2  -2   2 24.179  48.358   0.266    9.42    2       13.7        4.1
   90  -3   2   2 24.186  48.372   0.266    9.41    2        7.2        1.2
   91  -2   4   0 24.193  48.386   0.266    9.41    2       20.0        8.8
   92   0   4   0 24.217  48.433   0.266    9.39    2       27.2       16.3
   93  -2  -2   2 24.244  48.489   0.267    9.36    2        6.8        1.0
   94  -2   3   2 24.385  48.77    0.268    9.24    2        2.7        0.2
   95   1  -3   2 24.421  48.842   0.268    9.21    2        4.4        0.4
   96  -1   0   3 24.531  49.063   0.27     9.11    2        2.2        0.1
   97  -1   4   1 24.693  49.386   0.271    8.98    2       20.4        8.7
   98   1  -4   1 24.722  49.444   0.271    8.96    2       12.6        3.3
   99   0   0   3 25.015  50.03    0.274    8.72    2        8.0        1.3
  100  -1   1   3 25.179  50.359   0.276    8.59    2        0.5        0.0
  101  -2   4   1 25.184  50.367   0.276    8.59    2        3.6        0.3
  102   0  -4   1 25.234  50.469   0.277    8.55    2        1.4        0.0
  103   0   3   2 25.376  50.753   0.278    8.44    2        1.2        0.0
  104   0  -1   3 25.441  50.883   0.279    8.39    2        6.4        0.8
  105  -1  -3   2 25.452  50.905   0.279    8.38    2        2.7        0.1
  106  -1  -1   3 25.459  50.919   0.279    8.38    2        9.7        1.9
  107   2   1   2 25.531  51.063   0.28     8.32    2        3.5        0.2
  108  -3  -1   2 25.604  51.208   0.281    8.27    2       10.5        2.2
  109   2   3   0 25.671  51.342   0.281    8.22    2       14.4        4.0
  110   3  -3   1 25.748  51.497   0.282    8.16    2        1.5        0.0
  111  -2  -3   1 25.815  51.631   0.283    8.11    2        6.5        0.8
  112   3   1   1 25.912  51.824   0.284    8.05    2       60.9       70.0
  113  -4   1   1 25.927  51.855   0.284    8.04    2       65.0       79.5
  114  -2   0   3 26.022  52.044   0.285    7.97    2       11.7        2.6
  115   0   1   3 26.14   52.28    0.286    7.89    2       20.6        7.8
  116  -2   1   3 26.164  52.329   0.286    7.87    2       19.8        7.3
  117   0   4   1 26.168  52.337   0.286    7.87    2        6.6        0.8
  118   2  -4   1 26.174  52.347   0.286    7.86    2        8.6        1.4
  119  -4   1   0 26.274  52.548   0.287    7.8     2        8.2        1.2
  120  -4   2   1 26.396  52.792   0.289    7.71    2       14.5        3.8
  121  -3  -2   1 26.448  52.897   0.289    7.68    2        6.7        0.8
  122  -4   2   0 26.625  53.249   0.291    7.56    2        2.5        0.1
  123   3   2   0 26.663  53.326   0.291    7.54    2        4.3        0.3
  124  -3   3   2 26.823  53.647   0.293    7.44    2       10.2        1.8
  125   2  -3   2 26.838  53.676   0.293    7.43    2        0.5        0.0
  126  -4   0   1 26.973  53.947   0.294    7.34    2       11.2        2.1
  127  -3   4   0 27.103  54.206   0.296    7.26    2        1.8        0.1
  128   1   4   0 27.146  54.293   0.296    7.24    2        3.4        0.2
  129  -1   2   3 27.322  54.644   0.298    7.13    2       31.7       16.8
  130   1  -1   3 27.332  54.664   0.298    7.13    2       30.3       15.3
  131   0  -2   3 27.367  54.734   0.298    7.1     2       44.6       33.1
  132  -2  -1   3 27.383  54.767   0.299    7.1     2       33.3       18.4
  133   1   0   3 27.397  54.794   0.299    7.09    2        9.6        1.5
  134   4   0   0 27.422  54.844   0.299    7.07    2        5.7        0.5
  135  -3   4   1 27.564  55.127   0.3      6.99    2       10.7        1.9
  136  -1  -4   1 27.633  55.266   0.301    6.95    2        2.4        0.1
  137  -2   2   3 27.794  55.588   0.303    6.86    2       20.6        6.8
  138  -1  -2   3 27.849  55.699   0.303    6.83    2       24.0        9.2
  139  -4   3   1 28.327  56.654   0.308    6.57    2        1.4        0.0
  140   2   3   1 28.346  56.692   0.308    6.56    2        0.6        0.0
  141   3  -1   2 28.348  56.697   0.308    6.56    2       46.5       33.2
  142  -4   1   2 28.394  56.788   0.309    6.54    2       40.7       25.3
  143  -4   3   0 28.436  56.872   0.309    6.51    2       38.9       23.0
  144   1   3   2 28.661  57.322   0.311    6.4     2       16.0        3.8
  145   0   2   3 28.687  57.374   0.312    6.39    2        5.5        0.5
  146   1  -2   3 28.721  57.441   0.312    6.37    2        1.3        0.0
  147  -2  -3   2 28.75   57.499   0.312    6.35    2        9.3        1.3
  148   1   1   3 28.909  57.819   0.314    6.27    2       54.1       43.0
  149   3  -2   2 28.918  57.836   0.314    6.27    2       33.8       16.8
  150   2   2   2 28.918  57.836   0.314    6.27    2       28.9       12.3
  151  -2   4   2 28.924  57.848   0.314    6.27    2       40.9       24.5
  152  -1   4   2 28.925  57.851   0.314    6.27    2       46.5       31.7
  153  -4   2   2 28.943  57.886   0.314    6.26    2       29.6       12.8
  154  -3   1   3 28.955  57.91    0.314    6.25    2       56.7       47.0
  155   1  -4   2 28.977  57.953   0.314    6.24    2       39.0       22.2
  156   0  -4   2 28.996  57.992   0.315    6.23    2       44.7       29.1
  157  -3  -2   2 29.005  58.01    0.315    6.23    2       36.2       19.1
  158   3   0   2 29.208  58.417   0.317    6.13    2       13.3        2.5
  159  -3   0   3 29.272  58.544   0.317    6.1     2        2.2        0.1
  160  -4   0   2 29.273  58.546   0.317    6.1     2       16.3        3.8
  161   4  -1   1 29.365  58.73    0.318    6.06    2       13.3        2.5
  162   3  -4   1 29.383  58.767   0.318    6.05    2       21.9        6.8
  163   1   4   1 29.399  58.798   0.319    6.04    2       26.1        9.7
  164  -4  -1   1 29.422  58.845   0.319    6.03    2        8.3        1.0
  165  -1   5   0 29.523  59.046   0.32     5.98    2        7.6        0.8
  166   4  -2   1 29.585  59.17    0.32     5.96    2       10.2        1.5
  167   3   2   1 29.608  59.216   0.321    5.95    2        8.1        0.9
  168  -2   5   0 29.951  59.902   0.324    5.79    2       27.3       10.1
  169   4   1   0 29.952  59.905   0.324    5.79    2        1.2        0.0


  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   1   0   0   6.611  13.223  6.69019       21.6      2.4      2.5     5.6
    2  -1   1   0   7.515  15.03   5.88949       24.3      2.7      2.8     5.6
    3   1   1   0  10.048  20.095  4.41506       36.0      4.1      4.1     5.6
    4   0   1   1  10.301  20.602  4.30763      198.1     22.3     22.4     5.6
    5   0   2   0  11.835  23.67   3.75574      112.0     12.6     12.7     5.6
    6  -2   1   0  12.948  25.897  3.43765       28.3      3.2      3.2     5.6
    7   2   0   0  13.313  26.626  3.34509      430.4     48.5     48.6     5.6
    8  -2   1   1  14.003  28.006  3.18338      887.3    100.0    100.0     5.6
    9   0   2   1  14.784  29.568  3.0186       120.6     13.6     13.6     5.6
   10  -2   2   0  15.164  30.327  2.94475      114.6     12.9     12.9     5.6
   11  -1   0   2  16.388  32.777  2.73007       29.8      3.4      3.3     5.6
   12   2  -1   1  16.598  33.197  2.69649      179.3     20.2     20.1     5.6
   13  -2  -1   1  16.643  33.286  2.68944      167.9     18.9     18.8     5.6
   14  -1   1   2  17.119  34.237  2.61689       43.4      4.9      4.9     5.7
   15  -1   3   0  17.246  34.493  2.59809       19.6      2.2      2.2     5.7
   16   0   1   2  17.772  35.545  2.52354      162.4     18.3     18.2     5.7
   17  -1  -1   2  17.815  35.63   2.51768      100.6     11.3     11.3     5.7
   18   0   3   0  17.917  35.834  2.50383      149.0     16.8     16.7     5.7
   19   2  -2   1  18.265  36.529  2.45776       42.0      4.7      4.7     5.7
   20   1   0   2  18.986  37.972  2.36763       44.6      5.0      5.0     5.7
   21  -2   1   2  19.059  38.117  2.35895      342.9     38.7     38.3     5.7
   22  -2   3   0  19.155  38.311  2.34748      140.3     15.8     15.7     5.7
   23   0  -3   1  19.345  38.691  2.3253       113.2     12.8     12.6     5.7
   24  -1   2   2  19.797  39.594  2.27433       28.0      3.2      3.1     5.7
   25   0  -2   2  19.838  39.675  2.26982       19.5      2.2      2.2     5.7
   26  -2   3   1  20.197  40.394  2.2311        67.6      7.6      7.5     5.7
   27  -3   2   0  20.388  40.777  2.21101       40.3      4.5      4.5     5.7
   28   2   2   0  20.422  40.844  2.20753       32.6      3.7      3.6     5.7
   29  -3   2   1  20.683  41.365  2.1809        21.6      2.4      2.4     5.7
   30  -2  -2   1  20.732  41.465  2.17591       34.1      3.8      3.8     5.7
   31   1   1   2  20.81   41.619  2.1682        46.5      5.2      5.2     5.7
   32  -2  -1   2  20.871  41.741  2.16213       72.5      8.2      8.1     5.7
   33   1   3   0  20.955  41.909  2.15385       91.2     10.3     10.2     5.7
   34   3  -1   1  22.608  45.215  2.00376       45.6      5.1      5.1     5.7
   35  -3  -1   1  22.659  45.319  1.99942       47.9      5.4      5.3     5.7
   36   2  -1   2  23.005  46.009  1.971         20.6      2.3      2.3     5.7
   37  -3   3   0  23.102  46.204  1.96316       10.9      1.2      1.2     5.7
   38  -1   4   0  23.173  46.345  1.95749      350.2     39.5     38.8     5.7
   39   2   2   1  23.416  46.831  1.93831       31.1      3.5      3.4     5.7
   40   2   0   2  23.479  46.958  1.93338      346.7     39.1     38.4     5.7
   41  -3   0   2  23.533  47.066  1.9292       347.4     39.1     38.4     5.7
   42   0   4   0  24.217  48.433  1.87787       31.4      3.5      3.5     5.7
   43  -1   4   1  24.693  49.386  1.84384       12.1      1.4      1.3     5.7
   44  -4   1   1  25.927  51.855  1.76172      149.5     16.8     16.4     5.8
   45   0   1   3  26.14   52.28   1.74838       15.9      1.8      1.7     5.8
   46  -1   2   3  27.322  54.644  1.67821       32.1      3.6      3.5     5.8
   47   0  -2   3  27.367  54.734  1.67565       51.6      5.8      5.7     5.8
   48  -1  -2   3  27.849  55.699  1.6489         9.2      1.0      1.0     5.8
   49   3  -1   2  28.348  56.697  1.62222       33.2      3.7      3.6     5.8
   50  -4   1   2  28.394  56.788  1.61983       25.3      2.9      2.8     5.8
   51  -4   3   0  28.436  56.872  1.61763       23.0      2.6      2.5     5.8
   52   1   1   3  28.909  57.819  1.59338      128.3     14.5     14.0     5.8
   53  -3   1   3  28.955  57.91   1.59109       59.8      6.7      6.5     5.8
   54   0  -4   2  28.996  57.992  1.58902       70.4      7.9      7.7     5.8
   55   1   4   1  29.399  58.798  1.56915       19.9      2.2      2.2     5.8
   56  -2   5   0  29.951  59.902  1.54285       10.1      1.1      1.1     5.8

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)