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

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

2, alpha, at 298'C

SiO(2)


Monoclinic  I 2/a  Z = 12

R =0.021          NR =1434

1 .8 .1903

Ref.Str.:

         P.J. Heaney, J.E. Post (2001)

         * Amer. Mineral., 86, 1358-1366

                   Initial data from BDM-file 

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

             a =   8.7371   alpha =   90.0 
             b =   4.8692   beta  =   90.08
             c =  10.7217   gamma =   90.0 

    Unit cell volume (cub. angs.) =   456.13

    Molar volume ( cub.cm/mol.) =    22.9 

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

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

   1 0.25    0.9726  0.0      0.0    Si    = 1.00
   2 0.0103  0.2486  0.1682   0.0    Si    = 1.00
   3 0.9781  0.0644  0.2878   0.0    O     = 1.00
   4 0.1878  0.1708  0.1002   0.0    O     = 1.00
   5 0.8703  0.2296  0.0675   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.25       0.9726     0.0   
     2       2     0.0103     0.2486     0.1682
     3       3     0.9781     0.0644     0.2878
     4       4     0.1878     0.1708     0.1002
     5       5     0.8703     0.2296     0.0675
     6       1     0.75       0.0274     0.0   
     7       2     0.9897     0.7514     0.8318
     8       3     0.0219     0.9356     0.7122
     9       4     0.8122     0.8292     0.8998
    10       5     0.1297     0.7704     0.9325
    11       1     0.25       0.5274     0.5   
    12       2     0.4897     0.2514     0.3318
    13       3     0.5219     0.4356     0.2122
    14       4     0.3122     0.3292     0.3998
    15       5     0.6297     0.2704     0.4325
    16       1     0.75       0.4726     0.5   
    17       2     0.5103     0.7486     0.6682
    18       3     0.4781     0.5644     0.7878
    19       4     0.6878     0.6708     0.6002
    20       5     0.3703     0.7296     0.5675
    21       2     0.4897     0.2486     0.8318
    22       3     0.5219     0.0644     0.7122
    23       4     0.3122     0.1708     0.8998
    24       5     0.6297     0.2296     0.9325
    25       2     0.5103     0.7514     0.1682
    26       3     0.4781     0.9356     0.2878
    27       4     0.6878     0.8292     0.1002
    28       5     0.3703     0.7704     0.0675
    29       2     0.0103     0.2514     0.6682
    30       3     0.9781     0.4356     0.7878
    31       4     0.1878     0.3292     0.6002
    32       5     0.8703     0.2704     0.5675
    33       2     0.9897     0.7486     0.3318
    34       3     0.0219     0.5644     0.2122
    35       4     0.8122     0.6708     0.3998
    36       5     0.1297     0.7296     0.4325


X-ray density (g/cm cub.)   =      2.62

MU (1/cm) =      90.4      Mass attenuation coefficient (cm**2/g) =     34.452

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

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

    1    Si                  2.1          4
                                                 1.5435       4
                                                 1.6111       5
                                                 1.5435       4
                                                 1.6111       5
    2    Si                  2.1          4
                                                 1.5903       3
                                                 1.7559       4
                                                 1.633        5
                                                 1.6116       3
    3    O                   3.264        6
                                                 2.7715       4
                                                 2.6659       5
                                                 2.5945       3
                                                 2.5945       3
                                                 2.6872       4
                                                 2.6102       5
    4    O                   3.264        6
                                                 2.7715       3
                                                 2.8102       5
                                                 2.6998       5
                                                 2.4092       4
                                                 2.5432       5
                                                 2.6872       3
    5    O                   3.264        6
                                                 2.6659       3
                                                 2.8102       4
                                                 2.6998       4
                                                 2.5506       5
                                                 2.5432       4
                                                 2.6102       3

  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  8.261  16.522   0.093   93.93    2        3.0        0.8
    2   0   1   1 10.006  20.011   0.113   63.34    4       64.1      500.1
    3   2   0   0 10.156  20.311   0.114   61.42    2       58.1      199.2
    4   1   1   0 10.434  20.868   0.118   58.07    4        0.1        0.0
    5   2   0  -2 13.138  26.276   0.148   35.86    2      136.0      637.3
    6   2   0   2 13.156  26.313   0.148   35.75    2      160.3      883.5
    7   1   1  -2 13.362  26.724   0.15    34.6     4      129.2     1110.4
    8   1   1   2 13.371  26.742   0.15    34.55    4       89.4      530.7
    9   2   1  -1 14.328  28.656   0.161   29.83    4       71.7      295.0
   10   2   1   1 14.336  28.673   0.161   29.79    4       62.0      220.2
   11   0   1   3 15.507  31.014   0.174   25.18    4       64.5      201.5
   12   0   0   4 16.701  33.401   0.187   21.45    2       14.0        4.1
   13   3   1   0 17.95   35.9     0.2     18.33    4       29.4       30.4
   14   0   2   0 18.445  36.889   0.205   17.27    2       78.3      101.8
   15   2   1  -3 18.669  37.338   0.208   16.81    4        8.1        2.1
   16   2   1   3 18.689  37.378   0.208   16.77    4       26.2       22.1
   17   1   2  -1 19.644  39.289   0.218   15.02    4       34.5       34.3
   18   1   2   1 19.648  39.295   0.218   15.02    4       50.0       72.2
   19   2   0  -4 19.691  39.382   0.219   14.94    2       68.0       66.4
   20   2   0   4 19.716  39.433   0.219   14.9     2       18.1        4.7
   21   1   1  -4 19.851  39.702   0.22    14.68    4       17.5        8.7
   22   1   1   4 19.864  39.727   0.221   14.66    4       51.5       74.6
   23   3   1  -2 19.87   39.739   0.221   14.65    4       17.6        8.7
   24   3   1   2 19.889  39.777   0.221   14.62    4       17.3        8.4
   25   0   2   2 20.334  40.667   0.226   13.91    4       15.3        6.3
   26   4   0   0 20.649  41.299   0.229   13.44    2      105.2      143.0
   27   2   2   0 21.236  42.471   0.235   12.63    4       64.1       99.9
   28   4   0  -2 22.372  44.743   0.247   11.23    2       63.8       43.9
   29   4   0   2 22.395  44.789   0.247   11.2     2       46.9       23.7
   30   2   2  -2 22.928  45.856   0.253   10.62    4        4.6        0.4
   31   2   2   2 22.939  45.878   0.253   10.61    4       22.8       10.6
   32   0   1   5 23.111  46.221   0.255   10.44    4       17.4        6.1
   33   1   2  -3 23.127  46.255   0.255   10.42    4       23.3       10.9
   34   1   2   3 23.136  46.272   0.255   10.41    4       29.0       16.8
   35   4   1  -1 23.144  46.287   0.255   10.4     4        3.6        0.3
   36   4   1   1 23.155  46.309   0.255   10.39    4       52.8       55.8
   37   3   2  -1 24.741  49.483   0.272    8.94    4        5.4        0.5
   38   3   2   1 24.749  49.499   0.272    8.93    4        4.6        0.4
   39   3   1  -4 24.906  49.812   0.273    8.81    4      104.1      183.5
   40   3   1   4 24.938  49.875   0.274    8.78    4       85.6      123.6
   41   0   2   4 25.304  50.607   0.277    8.49    4      100.0      163.3
   42   2   1  -5 25.473  50.946   0.279    8.37    4       58.3       54.7
   43   2   1   5 25.499  50.998   0.279    8.35    4       43.7       30.6
   44   0   0   6 25.535  51.07    0.28     8.32    2       41.9       14.0
   45   4   1  -3 26.251  52.501   0.287    7.81    4       47.2       33.5
   46   4   1   3 26.281  52.562   0.287    7.79    4       52.4       41.1
   47   4   0  -4 27.039  54.078   0.295    7.3     2       21.5        3.2
   48   4   0   4 27.079  54.158   0.295    7.28    2       69.5       33.8
   49   2   2  -4 27.529  55.059   0.3      7.01    4       28.6       11.0
   50   2   2   4 27.549  55.099   0.3      7.0     4       25.4        8.7
   51   3   2  -3 27.719  55.438   0.302    6.9     4       53.6       38.1
   52   3   2   3 27.741  55.482   0.302    6.89    4       40.1       21.3
   53   2   0  -6 27.743  55.485   0.302    6.89    2       26.1        4.5
   54   2   0   6 27.772  55.544   0.302    6.87    2       71.8       34.1
   55   1   1  -6 27.868  55.737   0.303    6.82    4        0.3        0.0
   56   1   1   6 27.883  55.766   0.304    6.81    4        5.8        0.4
   57   5   1   0 27.926  55.853   0.304    6.79    4       22.8        6.8
   58   4   2   0 28.28   56.559   0.308    6.6     4       16.6        3.5
   59   0   3   1 28.685  57.37    0.312    6.39    4       11.0        1.5
   60   1   3   0 28.862  57.724   0.313    6.3     4        5.7        0.4
   61   1   2  -5 29.12   58.24    0.316    6.17    4       41.7       20.7
   62   1   2   5 29.132  58.264   0.316    6.17    4       17.6        3.7
   63   5   1  -2 29.321  58.642   0.318    6.08    4       56.2       36.9
   64   5   1   2 29.345  58.689   0.318    6.07    4       63.6       47.2
   65   4   2  -2 29.666  59.332   0.321    5.92    4       71.5       58.3
   66   4   2   2 29.685  59.369   0.321    5.91    4       63.5       45.8
   67   1   3  -2 30.238  60.477   0.327    5.67    4       86.7       81.9
   68   1   3   2 30.243  60.486   0.327    5.67    4       81.9       73.2
   69   2   3  -1 30.752  61.503   0.332    5.46    4       24.5        6.3
   70   2   3   1 30.756  61.512   0.332    5.46    4        3.1        0.1
   71   0   3   3 31.415  62.83    0.338    5.21    4       42.4       18.0
   72   0   1   7 31.816  63.632   0.342    5.07    4       50.7       25.0
   73   4   1  -5 31.825  63.649   0.342    5.07    4        7.8        0.6
   74   4   1   5 31.87   63.74    0.343    5.05    4       17.6        3.0
   75   6   0   0 31.936  63.872   0.343    5.03    2       72.2       25.2
   76   3   1  -6 31.978  63.956   0.344    5.01    4       46.8       21.1
   77   3   1   6 32.019  64.038   0.344    5.0     4       36.5       12.8
   78   0   2   6 32.324  64.648   0.347    4.9     4        1.2        0.0
   79   3   3   0 32.909  65.818   0.353    4.71    4       10.4        1.0
   80   3   2  -5 33.137  66.275   0.355    4.64    4       28.3        7.1
   81   3   2   5 33.171  66.341   0.355    4.63    4       31.3        8.7
   82   5   2  -1 33.179  66.358   0.355    4.63    4       36.5       11.9
   83   5   2   1 33.19   66.38    0.355    4.63    4       17.7        2.8
   84   6   0  -2 33.226  66.452   0.356    4.62    2        0.1        0.0
   85   6   0   2 33.253  66.506   0.356    4.61    2      138.7       85.3
   86   5   1  -4 33.309  66.618   0.356    4.59    4       35.0       10.8
   87   5   1   4 33.353  66.706   0.357    4.58    4       63.3       35.3
   88   2   3  -3 33.377  66.755   0.357    4.57    4       32.2        9.1
   89   2   3   3 33.391  66.781   0.357    4.57    4       19.1        3.2
   90   4   2  -4 33.632  67.265   0.36     4.5     4       76.0       49.9
   91   4   2   4 33.667  67.335   0.36     4.49    4       52.3       23.6
   92   2   1  -7 33.757  67.515   0.361    4.47    4       13.5        1.6
   93   2   1   7 33.788  67.576   0.361    4.46    4        6.4        0.3
   94   4   0  -6 33.818  67.635   0.361    4.45    2      144.1       88.8
   95   6   1  -1 33.827  67.653   0.361    4.45    4       37.6       12.1
   96   6   1   1 33.84   67.679   0.361    4.44    4       15.9        2.2
   97   4   0   6 33.87   67.74    0.362    4.43    2       77.7       25.7
   98   1   3  -4 34.174  68.348   0.365    4.35    4       74.3       46.3
   99   1   3   4 34.183  68.365   0.365    4.35    4       41.8       14.6
  100   3   3  -2 34.187  68.373   0.365    4.35    4       88.5       65.4
  101   3   3   2 34.2    68.4     0.365    4.35    4        5.2        0.2
  102   2   2  -6 34.253  68.505   0.365    4.33    4       78.1       50.8
  103   2   2   6 34.279  68.557   0.366    4.32    4      128.8      138.0
  104   0   0   8 35.082  70.164   0.373    4.13    2       29.8        3.5
  105   5   2  -3 35.705  71.41    0.379    3.98    4       18.8        2.7
  106   5   2   3 35.737  71.474   0.379    3.98    4       10.0        0.8
  107   6   1  -3 36.33   72.659   0.385    3.85    4        1.8        0.0
  108   6   1   3 36.368  72.736   0.385    3.84    4       47.0       16.3
  109   0   3   5 36.527  73.054   0.386    3.81    4       47.7       16.6
  110   4   3  -1 36.552  73.104   0.387    3.81    4       41.9       12.9
  111   4   3   1 36.56   73.121   0.387    3.8     4       22.8        3.8
  112   1   2  -7 36.909  73.819   0.39     3.74    4        9.7        0.7
  113   1   2   7 36.924  73.848   0.39     3.73    4       18.3        2.4
  114   2   0  -8 36.938  73.876   0.39     3.73    2       86.8       27.0
  115   2   0   8 36.972  73.943   0.39     3.73    2       65.6       15.4
  116   6   0  -4 36.987  73.975   0.391    3.72    2       61.5       13.5
  117   6   0   4 37.038  74.076   0.391    3.71    2       60.9       13.3
  118   1   1  -8 37.048  74.096   0.391    3.71    4       29.7        6.3
  119   1   1   8 37.065  74.13    0.391    3.71    4       63.9       29.1
  120   3   3  -4 37.912  75.824   0.399    3.56    4       75.0       38.5
  121   3   3   4 37.937  75.875   0.399    3.55    4       99.7       67.9
  122   6   2   0 38.052  76.103   0.4      3.54    4       85.4       49.6
  123   2   3  -5 38.362  76.724   0.403    3.49    4       44.6       13.3
  124   2   3   5 38.383  76.766   0.403    3.48    4       58.9       23.2
  125   4   3  -3 38.987  77.975   0.408    3.39    4       59.5       23.1
  126   4   3   3 39.012  78.025   0.409    3.39    4        9.6        0.6
  127   6   2  -2 39.252  78.504   0.411    3.35    4       54.3       19.0
  128   0   4   0 39.255  78.511   0.411    3.35    2       91.5       27.0
  129   6   2   2 39.277  78.553   0.411    3.35    4       24.4        3.8
  130   4   1  -7 39.337  78.674   0.411    3.34    4       60.6       23.6
  131   4   1   7 39.395  78.789   0.412    3.33    4       40.7       10.6
  132   5   1  -6 39.501  79.003   0.413    3.32    4       28.3        5.1
  133   5   1   6 39.563  79.127   0.413    3.31    4       18.0        2.1
  134   7   1   0 39.575  79.15    0.414    3.31    4       54.9       19.2
  135   4   2  -6 39.806  79.613   0.416    3.28    4       51.1       16.4
  136   4   2   6 39.856  79.712   0.416    3.27    4       47.9       14.4
  137   1   4  -1 40.009  80.017   0.417    3.25    4       38.8        9.4
  138   1   4   1 40.011  80.021   0.417    3.25    4       13.6        1.2
  139   1   3  -6 40.322  80.643   0.42     3.22    4        3.2        0.1
  140   1   3   6 40.334  80.668   0.42     3.21    4       61.8       23.6
  141   5   3   0 40.37   80.74    0.42     3.21    4       63.2       24.6
  142   0   4   2 40.458  80.915   0.421    3.2     4        3.8        0.1
  143   3   2  -7 40.547  81.094   0.422    3.19    4        9.4        0.5
  144   5   2  -5 40.571  81.142   0.422    3.19    4        4.0        0.1
  145   3   2   7 40.59   81.18    0.422    3.18    4       27.7        4.7
  146   5   2   5 40.622  81.245   0.423    3.18    4        5.9        0.2
  147   3   1  -8 40.68   81.36    0.423    3.17    4       65.2       26.0
  148   3   1   8 40.729  81.458   0.424    3.17    4       88.2       47.3
  149   7   1  -2 40.761  81.521   0.424    3.16    4       36.6        8.1
  150   7   1   2 40.789  81.579   0.424    3.16    4       61.3       22.8
  151   0   2   8 41.001  82.002   0.426    3.14    4       72.1       31.4
  152   2   4   0 41.063  82.125   0.426    3.13    4       39.3        9.3
  153   6   1  -5 41.169  82.339   0.427    3.12    4       52.6       16.6
  154   6   1   5 41.231  82.462   0.428    3.11    4       45.6       12.4
  155   5   3  -2 41.555  83.109   0.431    3.08    4       42.5       10.7
  156   5   3   2 41.575  83.15    0.431    3.08    4       50.0       14.8
  157   0   1   9 41.733  83.466   0.432    3.06    4       16.8        1.7
  158   2   4  -2 42.25   84.499   0.436    3.02    4       63.4       23.3
  159   2   4   2 42.258  84.516   0.437    3.02    4       34.6        6.9
  160   4   0  -8 42.368  84.736   0.437    3.01    2       34.0        3.3
  161   1   4  -3 42.394  84.788   0.438    3.0     4       19.2        2.1
  162   1   4   3 42.4    84.8     0.438    3.0     4       42.7       10.5
  163   4   0   8 42.433  84.866   0.438    3.0     2        8.8        0.2
  164   2   2  -8 42.777  85.554   0.441    2.97    4        5.4        0.2
  165   2   2   8 42.81   85.619   0.441    2.97    4        9.1        0.5
  166   6   2  -4 42.825  85.65    0.441    2.97    4        4.8        0.1
  167   6   2   4 42.874  85.747   0.442    2.96    4       26.7        4.1
  168   6   0  -6 42.992  85.984   0.443    2.95    2       26.2        2.0
  169   6   0   6 43.065  86.131   0.443    2.95    2       13.6        0.5
  170   2   1  -9 43.502  87.005   0.447    2.92    4       49.7       13.9
  171   2   1   9 43.539  87.078   0.447    2.91    4       50.5       14.3
  172   3   4  -1 43.594  87.188   0.448    2.91    4        0.5        0.0
  173   3   4   1 43.6    87.2     0.448    2.91    4       63.6       22.6
  174   0   3   7 43.747  87.494   0.449    2.9     4       45.6       11.6
  175   4   3  -5 43.755  87.509   0.449    2.9     4       11.5        0.7
  176   4   3   5 43.795  87.591   0.449    2.9     4       15.7        1.4
  177   3   3  -6 43.893  87.785   0.45     2.89    4        6.9        0.3
  178   3   3   6 43.929  87.858   0.45     2.89    4       20.6        2.4
  179   0   4   4 44.025  88.05    0.451    2.88    4        0.3        0.0
  180   7   2  -1 44.197  88.395   0.453    2.87    4       21.5        2.6
  181   7   2   1 44.212  88.423   0.453    2.87    4       35.6        7.0
  182   7   1  -4 44.311  88.621   0.453    2.87    4        1.2        0.0
  183   7   1   4 44.367  88.735   0.454    2.86    4       53.1       15.5
  184   8   0   0 44.854  89.707   0.458    2.84    2       84.6       19.5


  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   1   1  10.006  20.011  4.43342      500.1     30.5     30.6     5.6
    2   2   0   0  10.156  20.311  4.36855      199.2     12.1     12.2     5.6
    3   2   0   2  13.156  26.313  3.3842      1520.8     92.7     92.7     5.6
    4   1   1  -2  13.362  26.724  3.33307     1641.0    100.0    100.0     5.6
    5   2   1  -1  14.328  28.656  3.11261      515.2     31.4     31.3     5.6
    6   0   1   3  15.507  31.014  2.88112      201.5     12.3     12.2     5.6
    7   3   1   0  17.95   35.9    2.4994        30.4      1.9      1.8     5.7
    8   0   2   0  18.445  36.889  2.4346       101.8      6.2      6.2     5.7
    9   2   1   3  18.689  37.378  2.4039        24.2      1.5      1.5     5.7
   10   1   2   1  19.648  39.295  2.2909       106.5      6.5      6.4     5.7
   11   2   0  -4  19.691  39.382  2.28607       71.1      4.3      4.3     5.7
   12   3   1  -2  19.87   39.739  2.26633      100.4      6.1      6.0     5.7
   13   4   0   0  20.649  41.299  2.18427      143.0      8.7      8.6     5.7
   14   2   2   0  21.236  42.471  2.12664       99.9      6.1      6.0     5.7
   15   4   0  -2  22.372  44.743  2.0238        67.6      4.1      4.1     5.7
   16   4   1   1  23.155  46.309  1.95893       89.5      5.5      5.4     5.7
   17   3   1  -4  24.906  49.812  1.82909      183.5     11.2     10.9     5.7
   18   3   1   4  24.938  49.875  1.8269       123.6      7.5      7.4     5.7
   19   0   2   4  25.304  50.607  1.80218      163.3     10.0      9.7     5.8
   20   2   1  -5  25.473  50.946  1.79099       85.4      5.2      5.1     5.8
   21   4   1  -3  26.251  52.501  1.74154       33.5      2.0      2.0     5.8
   22   4   1   3  26.281  52.562  1.73966       41.1      2.5      2.4     5.8
   23   4   0   4  27.079  54.158  1.6921        33.8      2.1      2.0     5.8
   24   2   2  -4  27.529  55.059  1.66653       19.7      1.2      1.2     5.8
   25   3   2  -3  27.719  55.438  1.65604       63.9      3.9      3.8     5.8
   26   2   0   6  27.772  55.544  1.65312       34.1      2.1      2.0     5.8
   27   1   2  -5  29.12   58.24   1.58284       24.4      1.5      1.4     5.8
   28   5   1   2  29.345  58.689  1.5718        84.1      5.1      5.0     5.8
   29   4   2  -2  29.666  59.332  1.55631      104.1      6.3      6.1     5.8
   30   1   3  -2  30.238  60.477  1.52955      155.1      9.5      9.1     5.8
   31   0   3   3  31.415  62.83   1.47781       18.0      1.1      1.1     5.9
   32   0   1   7  31.816  63.632  1.46109       25.6      1.6      1.5     5.9
   33   6   0   0  31.936  63.872  1.45618       25.2      1.5      1.5     5.9
   34   3   1  -6  31.978  63.956  1.45447       21.1      1.3      1.2     5.9
   35   5   2  -1  33.179  66.358  1.40753       23.4      1.4      1.4     5.9
   36   6   0   2  33.253  66.506  1.40477       85.3      5.2      5.0     5.9
   37   5   1   4  33.353  66.706  1.40103       44.4      2.7      2.6     5.9
   38   4   2  -4  33.632  67.265  1.39074       49.9      3.0      2.9     5.9
   39   4   2   4  33.667  67.335  1.38946       23.6      1.4      1.4     5.9
   40   4   0  -6  33.818  67.635  1.38403      103.0      6.3      6.0     5.9
   41   4   0   6  33.87   67.74   1.38213       25.7      1.6      1.5     5.9
   42   3   3  -2  34.187  68.373  1.37087      126.5      7.7      7.3     5.9
   43   2   2   6  34.279  68.557  1.36764      188.8     11.5     10.9     5.9
   44   0   3   5  36.527  73.054  1.29415       29.5      1.8      1.7     6.0
   45   2   0  -8  36.938  73.876  1.28177       29.4      1.8      1.7     6.0
   46   2   0   8  36.972  73.943  1.28077       29.0      1.8      1.7     6.0
   47   1   1   8  37.065  74.13   1.27801       48.6      3.0      2.8     6.0
   48   3   3   4  37.937  75.875  1.2529       106.5      6.5      6.1     6.0
   49   6   2   0  38.052  76.103  1.2497        49.6      3.0      2.8     6.0
   50   2   3   5  38.383  76.766  1.24056       36.5      2.2      2.1     6.0
   51   4   3  -3  38.987  77.975  1.22432       23.7      1.4      1.3     6.0
   52   0   4   0  39.255  78.511  1.2173        49.8      3.0      2.8     6.0
   53   4   1  -7  39.337  78.674  1.21519       23.6      1.4      1.3     6.0
   54   7   1   0  39.575  79.15   1.20906       21.2      1.3      1.2     6.0
   55   4   2  -6  39.806  79.613  1.2032        16.4      1.0      0.9     6.0
   56   1   3   6  40.334  80.668  1.1901        23.6      1.4      1.3     6.1
   57   5   3   0  40.37   80.74   1.18922       24.6      1.5      1.4     6.1
   58   3   1  -8  40.68   81.36   1.18171       26.0      1.6      1.5     6.1
   59   3   1   8  40.729  81.458  1.18054       47.3      2.9      2.7     6.1
   60   7   1   2  40.789  81.579  1.1791        30.9      1.9      1.7     6.1
   61   0   2   8  41.001  82.002  1.17407       31.4      1.9      1.8     6.1
   62   6   1  -5  41.169  82.339  1.17013       16.6      1.0      0.9     6.1
   63   5   3   2  41.575  83.15   1.16076       25.5      1.6      1.4     6.1
   64   2   4  -2  42.25   84.499  1.14563       30.2      1.8      1.7     6.1
   65   3   4   1  43.6    87.2    1.11696       22.6      1.4      1.3     6.2
   66   8   0   0  44.854  89.707  1.09214       19.5      1.2      1.1     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)