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       ***
                  ***********************
JEREMEJEVITE

2, F, syn

Al(6)[BO(3)](5)(F,OH)(3)


Hexagonal  P 6(3)/m  Z = 2

R =0.0388

11 .12 .1989

Ref.Str.:

         Sokolova E.V., Egorov-Tismenko Yu.K., Kargaltsev S.V.,

         Klyachin V.A., Urusov V.S.(1987)

         * Vestn. Mosk. Univ., ser.4, geologiya, 3, 82-84

                   Initial data from BDM-file 

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

             a =   8.552    alpha =   90.0 
             b =   8.552    beta  =   90.0 
             c =   8.187    gamma =  120.0 

    Unit cell volume (cub. angs.) =   518.55

    Molar volume ( cub.cm/mol.) =   156.17

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

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

   1 0.0159  0.3529  0.0754   0.3    Al    = 1.00
   2 0.998   0.768   0.25     0.7    B     = 1.00
   3 0.3333  0.6667  0.943    0.5    B     = 1.00
   4 0.1146  0.5006  0.25     0.7    F     = 1.00
   5 0.1962  0.2847  0.1019   0.48   O     = 1.00
   6 0.1501  0.5607  0.9465   0.47   O     = 1.00
   7 0.8112  0.6967  0.25     0.4    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0159     0.3529     0.0754
     2       2     0.998      0.768      0.25  
     3       3     0.3333     0.6667     0.943 
     4       4     0.1146     0.5006     0.25  
     5       5     0.1962     0.2847     0.1019
     6       6     0.1501     0.5607     0.9465
     7       7     0.8112     0.6967     0.25  
     8       1     0.6471     0.663      0.0754
     9       1     0.337      0.9841     0.0754
    10       2     0.232      0.23       0.25  
    11       2     0.77       0.002      0.25  
    12       4     0.4994     0.614      0.25  
    13       4     0.386      0.8854     0.25  
    14       5     0.7153     0.9115     0.1019
    15       5     0.0885     0.8038     0.1019
    16       6     0.4393     0.5894     0.9465
    17       6     0.4106     0.8499     0.9465
    18       7     0.3033     0.1145     0.25  
    19       7     0.8855     0.1888     0.25  
    20       1     0.9841     0.6471     0.5754
    21       2     0.002      0.232      0.75  
    22       3     0.6667     0.3333     0.443 
    23       4     0.8854     0.4994     0.75  
    24       5     0.8038     0.7153     0.6019
    25       6     0.8499     0.4393     0.4465
    26       7     0.1888     0.3033     0.75  
    27       1     0.3529     0.337      0.5754
    28       1     0.663      0.0159     0.5754
    29       2     0.768      0.77       0.75  
    30       2     0.23       0.998      0.75  
    31       4     0.5006     0.386      0.75  
    32       4     0.614      0.1146     0.75  
    33       5     0.2847     0.0885     0.6019
    34       5     0.9115     0.1962     0.6019
    35       6     0.5607     0.4106     0.4465
    36       6     0.5894     0.1501     0.4465
    37       7     0.6967     0.8855     0.75  
    38       7     0.1145     0.8112     0.75  
    39       1     0.0159     0.3529     0.4246
    40       3     0.3333     0.6667     0.557 
    41       5     0.1962     0.2847     0.3981
    42       6     0.1501     0.5607     0.5535
    43       1     0.6471     0.663      0.4246
    44       1     0.337      0.9841     0.4246
    45       5     0.7153     0.9115     0.3981
    46       5     0.0885     0.8038     0.3981
    47       6     0.4393     0.5894     0.5535
    48       6     0.4106     0.8499     0.5535
    49       1     0.9841     0.6471     0.9246
    50       3     0.6667     0.3333     0.057 
    51       5     0.8038     0.7153     0.8981
    52       6     0.8499     0.4393     0.0535
    53       1     0.3529     0.337      0.9246
    54       1     0.663      0.0159     0.9246
    55       5     0.2847     0.0885     0.8981
    56       5     0.9115     0.1962     0.8981
    57       6     0.5607     0.4106     0.0535
    58       6     0.5894     0.1501     0.0535


X-ray density (g/cm cub.)   =      3.28

MU (1/cm) =      74.854    Mass attenuation coefficient (cm**2/g) =     22.794

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

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

    1    Al                  2.316        6
                                                 1.8125       4
                                                 1.9142       5
                                                 1.884        6
                                                 1.9213       7
                                                 1.9085       6
                                                 1.8718       5
    2    B                   1.872        3
                                                 1.3963       7
                                                 1.3878       5
                                                 1.3878       5
    3    B                   1.872        3
                                                 1.3629       6
                                                 1.363        6
                                                 1.3629       6
    4    F                   3.228       11
                                                 2.5797       5
                                                 2.5247       6
                                                 2.9289       4
                                                 2.9289       4
                                                 2.9702       5
                                                 2.3926       7
                                                 2.6078       6
                                                 2.5797       5
                                                 2.5247       6
                                                 2.9702       5
                                                 2.6078       6
    5    O                   3.264       11
                                                 2.5797       4
                                                 2.8768       6
                                                 2.9702       4
                                                 2.7043       6
                                                 2.4002       7
                                                 2.6502       7
                                                 2.8878       7
                                                 2.425        5
                                                 2.7279       5
                                                 2.7281       5
                                                 2.7707       6
    6    O                   3.264       11
                                                 2.5247       4
                                                 2.8768       5
                                                 2.7043       5
                                                 2.3601       6
                                                 2.3601       6
                                                 2.6078       4
                                                 2.8761       7
                                                 2.8147       7
                                                 3.2175       6
                                                 2.4023       6
                                                 2.7707       5
    7    O                   3.264       11
                                                 2.3926       4
                                                 2.6502       5
                                                 2.4002       5
                                                 2.8878       5
                                                 2.8761       6
                                                 2.8146       6
                                                 2.6502       5
                                                 2.4002       5
                                                 2.8878       5
                                                 2.8761       6
                                                 2.8146       6

  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   1   0   0  5.97   11.94    0.068  181.93    6       16.1      105.7
    2   1   0   1  8.062  16.124   0.091   98.74   12        3.0        3.9
    3   1   1   0 10.378  20.756   0.117   58.72    6       77.7      792.0
    4   0   0   2 10.846  21.692   0.122   53.58    2       64.3      164.5
    5   1   1   1 11.726  23.452   0.132   45.54   12       43.2      378.9
    6   2   0   0 12.006  24.011   0.135   43.35    6       12.6       15.4
    7   1   0   2 12.416  24.831   0.14    40.4    12       29.3      154.5
    8   2   0   1 13.197  26.394   0.148   35.52   12       14.3       32.5
    9   1   1   2 15.1    30.199   0.169   26.66   12        0.1        0.0
   10   1   2   0 15.972  31.944   0.179   23.63    6       18.8       18.6
   11   2   1   0 15.972  31.944   0.179   23.63    6       60.6      193.4
   12   2   0   2 16.29   32.579   0.182   22.64   12       12.3       15.4
   13   1   2   1 16.906  33.813   0.189   20.89   12       22.1       45.5
   14   2   1   1 16.906  33.813   0.189   20.89   12       52.1      252.8
   15   1   0   3 17.506  35.012   0.195   19.36   12       35.1      106.3
   16   3   0   0 18.181  36.361   0.203   17.82    6       63.3      159.4
   17   3   0   1 19.019  38.039   0.212   16.14   12       11.4        9.3
   18   1   2   2 19.473  38.945   0.216   15.32   12        3.3        0.8
   19   2   1   2 19.473  38.945   0.216   15.32   12        3.9        1.1
   20   1   1   3 19.563  39.126   0.217   15.16   12       50.3      170.9
   21   2   0   3 20.525  41.051   0.228   13.63   12       88.9      480.2
   22   2   2   0 21.117  42.235   0.234   12.79    6       28.4       23.1
   23   3   0   2 21.368  42.737   0.237   12.45   12       61.2      208.1
   24   2   2   1 21.861  43.723   0.242   11.83   12       29.5       46.0
   25   1   3   0 22.024  44.048   0.243   11.63    6        1.5        0.1
   26   3   1   0 22.024  44.048   0.243   11.63    6      126.6      415.9
   27   0   0   4 22.107  44.215   0.244   11.54    2       10.0        0.9
   28   1   3   1 22.744  45.488   0.251   10.82   12        8.1        3.2
   29   3   1   1 22.744  45.488   0.251   10.82   12        1.7        0.1
   30   1   0   4 22.982  45.965   0.253   10.57   12       17.7       14.7
   31   1   2   3 23.216  46.431   0.256   10.33   12       66.1      201.3
   32   2   1   3 23.216  46.431   0.256   10.33   12       38.2       67.2
   33   2   2   2 23.983  47.965   0.264    9.59   12       35.8       54.9
   34   4   0   0 24.583  49.167   0.27     9.07    6       45.7       42.2
   35   1   1   4 24.66   49.32    0.271    9.01   12       19.8       15.8
   36   1   3   2 24.807  49.613   0.272    8.89   12       22.4       19.8
   37   3   1   2 24.807  49.613   0.272    8.89   12       11.2        4.9
   38   3   0   3 24.881  49.762   0.273    8.83   12       20.9       17.2
   39   4   0   1 25.247  50.494   0.277    8.54   12       25.8       25.4
   40   2   0   4 25.468  50.935   0.279    8.37   12       15.5        8.9
   41   2   3   0 26.958  53.917   0.294    7.35    6       21.7        7.7
   42   3   2   0 26.958  53.917   0.294    7.35    6       60.6       60.3
   43   4   0   2 27.168  54.335   0.296    7.22   12       24.3       19.0
   44   2   2   3 27.238  54.475   0.297    7.18   12      103.2      341.4
   45   2   3   1 27.581  55.162   0.301    6.98   12       16.1        8.1
   46   3   2   1 27.581  55.162   0.301    6.98   12        0.3        0.0
   47   1   2   4 27.789  55.577   0.303    6.86   12       10.8        3.5
   48   2   1   4 27.789  55.577   0.303    6.86   12       15.5        7.3
   49   1   3   3 27.992  55.984   0.305    6.75   12       32.3       31.4
   50   3   1   3 27.992  55.984   0.305    6.75   12        5.4        0.9
   51   1   4   0 28.464  56.928   0.309    6.5     6       39.4       22.5
   52   4   1   0 28.464  56.928   0.309    6.5     6       25.0        9.0
   53   1   0   5 28.802  57.605   0.313    6.33   12       22.0       13.6
   54   1   4   1 29.065  58.13    0.315    6.2    12       45.5       57.2
   55   4   1   1 29.065  58.13    0.315    6.2    12       20.5       11.6
   56   3   0   4 29.266  58.532   0.317    6.1    12       39.9       43.4
   57   2   3   2 29.396  58.792   0.319    6.04   12        3.4        0.3
   58   3   2   2 29.396  58.792   0.319    6.04   12        3.1        0.3
   59   4   0   3 30.181  60.362   0.326    5.7    12       18.7        8.9
   60   1   1   5 30.248  60.495   0.327    5.67   12       61.1       94.5
   61   1   4   2 30.824  61.649   0.333    5.44   12       43.9       46.7
   62   4   1   2 30.824  61.649   0.333    5.44   12       25.1       15.3
   63   2   0   5 30.955  61.91    0.334    5.38   12        2.3        0.1
   64   5   0   0 31.334  62.667   0.338    5.24    6       11.8        1.6
   65   2   2   4 31.399  62.798   0.338    5.22   12        3.3        0.3
   66   5   0   1 31.902  63.803   0.343    5.04   12        4.0        0.4
   67   1   3   4 32.092  64.183   0.345    4.98   12       10.9        2.6
   68   3   1   4 32.092  64.183   0.345    4.98   12       20.7        9.5
   69   2   3   3 32.278  64.556   0.347    4.91   12       56.9       70.9
   70   3   2   3 32.278  64.556   0.347    4.91   12        1.5        0.1
   71   3   3   0 32.712  65.425   0.351    4.77    6       91.4       88.9
   72   1   2   5 33.024  66.049   0.354    4.68   12        0.6        0.0
   73   2   1   5 33.024  66.049   0.354    4.68   12       24.7       12.8
   74   3   3   1 33.268  66.535   0.356    4.6    12        2.0        0.1
   75   2   4   0 33.39   66.78    0.357    4.57    6       64.0       41.8
   76   4   2   0 33.39   66.78    0.357    4.57    6        1.9        0.0
   77   5   0   2 33.574  67.149   0.359    4.52   12       24.1       11.7
   78   1   4   3 33.636  67.272   0.36     4.5    12      127.2      324.8
   79   4   1   3 33.636  67.272   0.36     4.5    12       57.1       65.5
   80   2   4   1 33.94   67.88    0.362    4.42   12       14.1        3.9
   81   4   2   1 33.94   67.88    0.362    4.42   12        8.1        1.3
   82   4   0   4 34.124  68.248   0.364    4.37   12        5.3        0.5
   83   3   0   5 34.367  68.734   0.366    4.3    12       22.1        9.4
   84   0   0   6 34.369  68.737   0.366    4.3     2      181.8      105.7
   85   3   3   2 34.907  69.814   0.371    4.17   12       69.7       90.3
   86   1   0   6 35.031  70.061   0.373    4.14   12        1.0        0.0
   87   1   5   0 35.385  70.77    0.376    4.05    6       18.7        3.2
   88   5   1   0 35.385  70.77    0.376    4.05    6       18.4        3.1
   89   2   4   2 35.564  71.129   0.378    4.01   12        7.2        0.9
   90   4   2   2 35.564  71.129   0.378    4.01   12       24.7       10.9
   91   1   5   1 35.921  71.841   0.381    3.94   12       14.4        3.6
   92   5   1   1 35.921  71.841   0.381    3.94   12       14.9        3.9
   93   2   3   4 36.1    72.2     0.382    3.9    12        2.0        0.1
   94   3   2   4 36.1    72.2     0.382    3.9    12       21.9        8.3
   95   5   0   3 36.277  72.553   0.384    3.86   12       16.8        4.9
   96   2   2   5 36.338  72.675   0.385    3.85   12       45.3       35.3
   97   1   1   6 36.339  72.678   0.385    3.85   12       49.1       41.4
   98   1   3   5 36.985  73.969   0.391    3.72   12        3.7        0.2
   99   3   1   5 36.985  73.969   0.391    3.72   12        3.5        0.2
  100   2   0   6 36.986  73.972   0.391    3.72   12        4.2        0.3
  101   1   4   4 37.393  74.786   0.394    3.65   12       41.6       28.2
  102   4   1   4 37.393  74.786   0.394    3.65   12        3.9        0.2
  103   1   5   2 37.508  75.017   0.395    3.63   12       15.3        3.8
  104   5   1   2 37.508  75.017   0.395    3.63   12       15.0        3.6
  105   3   3   3 37.567  75.134   0.396    3.62   12       28.9       13.5
  106   2   4   3 38.207  76.413   0.401    3.51   12       49.7       38.7
  107   4   2   3 38.207  76.413   0.401    3.51   12       22.0        7.6
  108   6   0   0 38.611  77.221   0.405    3.45    6       59.5       27.2
  109   4   0   5 38.902  77.804   0.408    3.4    12       43.3       28.5
  110   1   2   6 38.903  77.807   0.408    3.4    12        0.8        0.0
  111   2   1   6 38.903  77.807   0.408    3.4    12       25.0        9.5
  112   6   0   1 39.13   78.259   0.41     3.37   12       10.7        1.7
  113   3   4   0 39.245  78.489   0.411    3.35    6       58.8       25.9
  114   4   3   0 39.245  78.489   0.411    3.35    6       31.9        7.6
  115   3   4   1 39.761  79.523   0.415    3.29   12        3.3        0.2
  116   4   3   1 39.761  79.523   0.415    3.29   12        1.5        0.0
  117   5   0   4 39.935  79.87    0.417    3.26   12        0.0        0.0
  118   1   5   3 40.106  80.211   0.418    3.24   12       32.5       15.3
  119   5   1   3 40.106  80.211   0.418    3.24   12       10.2        1.5
  120   3   0   6 40.166  80.332   0.419    3.23   12       56.7       46.4
  121   2   5   0 40.504  81.009   0.422    3.19    6       22.6        3.6
  122   5   2   0 40.504  81.009   0.422    3.19    6       50.5       18.1
  123   6   0   2 40.676  81.352   0.423    3.17   12       29.8       12.5
  124   2   3   5 40.792  81.584   0.424    3.16   12       13.7        2.6
  125   3   2   5 40.792  81.584   0.424    3.16   12        2.5        0.1
  126   2   5   1 41.017  82.034   0.426    3.14   12       25.8        9.3
  127   5   2   1 41.017  82.034   0.426    3.14   12       46.4       30.1
  128   3   3   4 41.189  82.379   0.427    3.12   12       17.0        4.0
  129   3   4   2 41.302  82.603   0.428    3.11   12       22.2        6.8
  130   4   3   2 41.302  82.603   0.428    3.11   12       27.4       10.4
  131   2   4   4 41.814  83.628   0.433    3.06   12        3.0        0.1
  132   4   2   4 41.814  83.628   0.433    3.06   12       17.9        4.3
  133   1   0   7 41.818  83.635   0.433    3.06   12       25.9        9.1
  134   1   4   5 42.042  84.083   0.435    3.03   12       41.1       22.9
  135   4   1   5 42.042  84.083   0.435    3.03   12       19.4        5.1
  136   2   2   6 42.043  84.086   0.435    3.03   12       22.4        6.8
  137   2   5   2 42.549  85.097   0.439    2.99   12        1.0        0.0
  138   5   2   2 42.549  85.097   0.439    2.99   12        1.8        0.0
  139   1   3   6 42.665  85.33    0.44     2.98   12        5.7        0.4
  140   3   1   6 42.665  85.33    0.44     2.98   12       42.1       23.5
  141   1   6   0 43.0    86.0     0.443    2.95    6       24.3        3.9
  142   6   1   0 43.0    86.0     0.443    2.95    6       58.7       22.7
  143   1   1   7 43.062  86.124   0.443    2.95   12        6.0        0.5
  144   6   0   3 43.227  86.454   0.445    2.94   12       29.7       11.6
  145   1   6   1 43.508  87.017   0.447    2.92   12        7.2        0.7
  146   6   1   1 43.508  87.017   0.447    2.92   12        4.3        0.2
  147   1   5   4 43.679  87.358   0.448    2.91   12       11.9        1.8
  148   5   1   4 43.679  87.358   0.448    2.91   12       19.2        4.8
  149   2   0   7 43.683  87.366   0.448    2.9    12        0.6        0.0
  150   3   4   3 43.848  87.695   0.45     2.89   12       16.7        3.6
  151   4   3   3 43.848  87.695   0.45     2.89   12       19.0        4.6
  152   5   0   5 44.526  89.052   0.455    2.85   12       10.1        1.3
  153   4   0   6 44.527  89.054   0.455    2.85   12       18.2        4.2


  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   5.97   11.94   7.40625      105.7     13.4     13.4     5.6
    2   1   1   0  10.378  20.756  4.276        792.0    100.0    100.0     5.6
    3   0   0   2  10.846  21.692  4.0935       164.5     20.8     20.8     5.6
    4   1   1   1  11.726  23.452  3.79018      378.9     47.8     47.7     5.6
    5   2   0   0  12.006  24.011  3.70312       15.4      1.9      1.9     5.6
    6   1   0   2  12.416  24.831  3.58268      154.5     19.5     19.4     5.6
    7   2   0   1  13.197  26.394  3.37403       32.5      4.1      4.1     5.6
    8   2   1   0  15.972  31.944  2.7993       212.0     26.8     26.5     5.6
    9   2   0   2  16.29   32.579  2.74617       15.4      1.9      1.9     5.6
   10   2   1   1  16.906  33.813  2.64875      298.4     37.7     37.3     5.7
   11   1   0   3  17.506  35.012  2.5607       106.3     13.4     13.3     5.7
   12   3   0   0  18.181  36.361  2.46875      159.4     20.1     19.9     5.7
   13   3   0   1  19.019  38.039  2.36363        9.3      1.2      1.2     5.7
   14   1   1   3  19.563  39.126  2.30042      170.9     21.6     21.3     5.7
   15   2   0   3  20.525  41.051  2.19689      480.2     60.6     59.6     5.7
   16   2   2   0  21.117  42.235  2.138         23.1      2.9      2.9     5.7
   17   3   0   2  21.368  42.737  2.11405      208.1     26.3     25.8     5.7
   18   2   2   1  21.861  43.723  2.06863       46.0      5.8      5.7     5.7
   19   3   1   0  22.024  44.048  2.05412      415.9     52.5     51.5     5.7
   20   1   0   4  22.982  45.965  1.9728        14.7      1.9      1.8     5.7
   21   1   2   3  23.216  46.431  1.95407      268.5     33.9     33.1     5.7
   22   2   2   2  23.983  47.965  1.89509       54.9      6.9      6.8     5.7
   23   4   0   0  24.583  49.167  1.85156       42.2      5.3      5.2     5.7
   24   1   1   4  24.66   49.32   1.84616       15.8      2.0      1.9     5.7
   25   1   3   2  24.807  49.613  1.83594       24.8      3.1      3.0     5.7
   26   3   0   3  24.881  49.762  1.83078       17.2      2.2      2.1     5.7
   27   4   0   1  25.247  50.494  1.80595       25.4      3.2      3.1     5.8
   28   2   0   4  25.468  50.935  1.79134        8.9      1.1      1.1     5.8
   29   3   2   0  26.958  53.917  1.69911       68.1      8.6      8.3     5.8
   30   4   0   2  27.168  54.335  1.68701       19.0      2.4      2.3     5.8
   31   2   2   3  27.238  54.475  1.68301      341.4     43.1     41.7     5.8
   32   2   3   1  27.581  55.162  1.66366        8.1      1.0      1.0     5.8
   33   2   1   4  27.789  55.577  1.65222       10.9      1.4      1.3     5.8
   34   1   3   3  27.992  55.984  1.64117       32.3      4.1      3.9     5.8
   35   1   4   0  28.464  56.928  1.61618       31.6      4.0      3.8     5.8
   36   1   0   5  28.802  57.605  1.59879       13.6      1.7      1.7     5.8
   37   1   4   1  29.065  58.13   1.58558       68.8      8.7      8.4     5.8
   38   3   0   4  29.266  58.532  1.57566       43.4      5.5      5.3     5.8
   39   4   0   3  30.181  60.362  1.53219        8.9      1.1      1.1     5.8
   40   1   1   5  30.248  60.495  1.52912       94.5     11.9     11.5     5.8
   41   1   4   2  30.824  61.649  1.50325       62.0      7.8      7.5     5.8
   42   3   1   4  32.092  64.183  1.44987       12.2      1.5      1.5     5.9
   43   2   3   3  32.278  64.556  1.44239       71.0      9.0      8.5     5.9
   44   3   3   0  32.712  65.425  1.42533       88.9     11.2     10.7     5.9
   45   2   1   5  33.024  66.049  1.41337       12.8      1.6      1.5     5.9
   46   2   4   0  33.39   66.78   1.39965       41.8      5.3      5.0     5.9
   47   5   0   2  33.574  67.149  1.39286       11.7      1.5      1.4     5.9
   48   1   4   3  33.636  67.272  1.39061      390.3     49.3     46.8     5.9
   49   0   0   6  34.369  68.737  1.3645       115.1     14.5     13.8     5.9
   50   3   3   2  34.907  69.814  1.34607       90.3     11.4     10.8     5.9
   51   4   2   2  35.564  71.129  1.32437       10.9      1.4      1.3     5.9
   52   3   2   4  36.1    72.2    1.30734        8.3      1.0      1.0     5.9
   53   1   1   6  36.339  72.678  1.29992       76.7      9.7      9.1     6.0
   54   1   4   4  37.393  74.786  1.26841       28.4      3.6      3.4     6.0
   55   3   3   3  37.567  75.134  1.26339       13.5      1.7      1.6     6.0
   56   2   4   3  38.207  76.413  1.2454        46.3      5.8      5.5     6.0
   57   6   0   0  38.611  77.221  1.23437       27.2      3.4      3.2     6.0
   58   4   0   5  38.902  77.804  1.22658       38.0      4.8      4.5     6.0
   59   3   4   0  39.245  78.489  1.21758       33.5      4.2      3.9     6.0
   60   1   5   3  40.106  80.211  1.19572       16.8      2.1      2.0     6.0
   61   3   0   6  40.166  80.332  1.19423       46.4      5.9      5.4     6.0
   62   5   2   0  40.504  81.009  1.18595       21.8      2.7      2.5     6.1
   63   6   0   2  40.676  81.352  1.18181       12.5      1.6      1.5     6.1
   64   5   2   1  41.017  82.034  1.1737        39.4      5.0      4.6     6.1
   65   4   3   2  41.302  82.603  1.16705       17.3      2.2      2.0     6.1
   66   1   0   7  41.818  83.635  1.15526       13.5      1.7      1.6     6.1
   67   1   4   5  42.042  84.083  1.15024       34.8      4.4      4.0     6.1
   68   3   1   6  42.665  85.33   1.13659       23.5      3.0      2.7     6.1
   69   6   1   0  43.0    86.0    1.12944       26.6      3.4      3.1     6.1
   70   6   0   3  43.227  86.454  1.12468       11.6      1.5      1.3     6.1
   71   4   3   3  43.848  87.695  1.11193        8.3      1.0      0.9     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)