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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JEREMEJEVITE

3

Al(6)B(5)F(3)O(15)


Hexagonal  P 6(3)/m  Z = 2

R =0.03          NR =868

6 .11 .1991

Ref.Str.:

         Rodellas C., Garcia-Blanco S., Vegas A. (1983)

         * Z. Kristallogr., 165, 255-260

                   Initial data from BDM-file 

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

             a =   8.556    alpha =   90.0 
             b =   8.556    beta  =   90.0 
             c =   8.175    gamma =  120.0 

    Unit cell volume (cub. angs.) =   518.27

    Molar volume ( cub.cm/mol.) =   156.09

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

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

   1 0.0154  0.3526  0.0753   0.0    Al    = 1.00
   2 0.1966  0.2851  0.1014   0.0    O     = 1.00
   3 0.15    0.5608  0.9454   0.0    O     = 1.00
   4 0.0023  0.2332  0.75     0.0    B     = 1.00
   5 0.3333  0.6667  0.946    0.0    B     = 1.00
   6 0.1863  0.3029  0.75     0.0    O     = 1.00
   7 0.1131  0.5001  0.25     0.0    F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0154     0.3526     0.0753
     2       2     0.1966     0.2851     0.1014
     3       3     0.15       0.5608     0.9454
     4       4     0.0023     0.2332     0.75  
     5       5     0.3333     0.6667     0.946 
     6       6     0.1863     0.3029     0.75  
     7       7     0.1131     0.5001     0.25  
     8       1     0.6474     0.6628     0.0753
     9       1     0.3372     0.9846     0.0753
    10       2     0.7149     0.9115     0.1014
    11       2     0.0885     0.8034     0.1014
    12       3     0.4392     0.5892     0.9454
    13       3     0.4108     0.85       0.9454
    14       4     0.7668     0.7691     0.75  
    15       4     0.2309     0.9977     0.75  
    16       6     0.6971     0.8834     0.75  
    17       6     0.1166     0.8137     0.75  
    18       7     0.4999     0.613      0.25  
    19       7     0.387      0.8869     0.25  
    20       1     0.9846     0.6474     0.5753
    21       2     0.8034     0.7149     0.6014
    22       3     0.85       0.4392     0.4454
    23       4     0.9977     0.7668     0.25  
    24       5     0.6667     0.3333     0.446 
    25       6     0.8137     0.6971     0.25  
    26       7     0.8869     0.4999     0.75  
    27       1     0.3526     0.3372     0.5753
    28       1     0.6628     0.0154     0.5753
    29       2     0.2851     0.0885     0.6014
    30       2     0.9115     0.1966     0.6014
    31       3     0.5608     0.4108     0.4454
    32       3     0.5892     0.15       0.4454
    33       4     0.2332     0.2309     0.25  
    34       4     0.7691     0.0023     0.25  
    35       6     0.3029     0.1166     0.25  
    36       6     0.8834     0.1863     0.25  
    37       7     0.5001     0.387      0.75  
    38       7     0.613      0.1131     0.75  
    39       1     0.0154     0.3526     0.4247
    40       2     0.1966     0.2851     0.3986
    41       3     0.15       0.5608     0.5546
    42       5     0.3333     0.6667     0.554 
    43       1     0.6474     0.6628     0.4247
    44       1     0.3372     0.9846     0.4247
    45       2     0.7149     0.9115     0.3986
    46       2     0.0885     0.8034     0.3986
    47       3     0.4392     0.5892     0.5546
    48       3     0.4108     0.85       0.5546
    49       1     0.9846     0.6474     0.9247
    50       2     0.8034     0.7149     0.8986
    51       3     0.85       0.4392     0.0546
    52       5     0.6667     0.3333     0.054 
    53       1     0.3526     0.3372     0.9247
    54       1     0.6628     0.0154     0.9247
    55       2     0.2851     0.0885     0.8986
    56       2     0.9115     0.1966     0.8986
    57       3     0.5608     0.4108     0.0546
    58       3     0.5892     0.15       0.0546


X-ray density (g/cm cub.)   =      3.29

MU (1/cm) =      74.893    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
                                                 1.9175       2
                                                 1.8909       3
                                                 1.81         7
                                                 1.9321       6
                                                 1.9053       3
                                                 1.8634       2
    2    O                   3.264       11
                                                 2.8793       3
                                                 2.8804       6
                                                 2.5854       7
                                                 2.7025       3
                                                 2.9665       7
                                                 2.3859       6
                                                 2.6658       6
                                                 2.4296       2
                                                 2.7248       2
                                                 2.725        2
                                                 2.768        3
    3    O                   3.264       11
                                                 2.8793       2
                                                 2.864        6
                                                 2.531        7
                                                 2.7025       2
                                                 2.3623       3
                                                 2.3623       3
                                                 2.8167       6
                                                 2.5918       7
                                                 3.1948       3
                                                 2.4078       3
                                                 2.768        2
    4    B                   1.872        3
                                                 1.3767       6
                                                 1.3908       2
                                                 1.3908       2
    5    B                   1.872        3
                                                 1.3639       3
                                                 1.364        3
                                                 1.3638       3
    6    O                   3.264       11
                                                 2.8804       2
                                                 2.864        3
                                                 2.8167       3
                                                 2.6656       2
                                                 2.386        2
                                                 2.4071       7
                                                 2.8804       2
                                                 2.864        3
                                                 2.8167       3
                                                 2.6656       2
                                                 2.386        2
    7    F                   3.228       11
                                                 2.5854       2
                                                 2.531        3
                                                 2.9665       2
                                                 2.9477       7
                                                 2.9477       7
                                                 2.5918       3
                                                 2.4072       6
                                                 2.5854       2
                                                 2.531        3
                                                 2.9665       2
                                                 2.5918       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   1   0   0  5.967  11.934   0.067  182.1     6       16.2      107.3
    2   1   0   1  8.065  16.131   0.091   98.66   12        2.5        2.8
    3   1   1   0 10.373  20.746   0.117   58.78    6       78.7      812.4
    4   0   0   2 10.862  21.724   0.122   53.42    2       64.6      165.8
    5   1   1   1 11.725  23.451   0.132   45.54   12       42.6      368.6
    6   2   0   0 12.0    24.0     0.135   43.39    6       12.3       14.7
    7   1   0   2 12.428  24.857   0.14    40.31   12       29.3      154.3
    8   2   0   1 13.195  26.39    0.148   35.53   12       13.9       30.6
    9   1   1   2 15.108  30.216   0.169   26.63   12        0.3        0.0
   10   1   2   0 15.964  31.929   0.179   23.65    6       19.5       20.1
   11   2   1   0 15.964  31.929   0.179   23.65    6       61.3      198.8
   12   2   0   2 16.296  32.593   0.182   22.62   12       11.6       13.6
   13   1   2   1 16.902  33.804   0.189   20.9    12       22.8       48.6
   14   2   1   1 16.902  33.804   0.189   20.9    12       53.6      268.4
   15   1   0   3 17.529  35.057   0.196   19.31   12       35.9      111.1
   16   3   0   0 18.172  36.343   0.202   17.84    6       63.8      162.0
   17   3   0   1 19.013  38.027   0.211   16.15   12       11.2        9.1
   18   1   2   2 19.476  38.951   0.216   15.31   12        4.3        1.3
   19   2   1   2 19.476  38.951   0.216   15.31   12        3.0        0.6
   20   1   1   3 19.581  39.163   0.218   15.13   12       51.0      175.9
   21   2   0   3 20.542  41.085   0.228   13.6    12       90.8      501.2
   22   2   2   0 21.107  42.214   0.234   12.8     6       27.8       22.1
   23   3   0   2 21.369  42.739   0.237   12.45   12       63.3      223.0
   24   2   2   1 21.854  43.707   0.242   11.84   12       29.8       46.9
   25   1   3   0 22.013  44.026   0.243   11.65    6        2.1        0.1
   26   3   1   0 22.013  44.026   0.243   11.65    6      130.0      439.7
   27   0   0   4 22.142  44.283   0.245   11.5     2       10.9        1.0
   28   1   3   1 22.736  45.471   0.251   10.83   12        9.8        4.7
   29   3   1   1 22.736  45.471   0.251   10.83   12        2.1        0.2
   30   1   0   4 23.015  46.03    0.254   10.53   12       17.8       15.0
   31   1   2   3 23.228  46.457   0.256   10.32   12       68.4      215.8
   32   2   1   3 23.228  46.457   0.256   10.32   12       41.4       78.8
   33   2   2   2 23.981  47.963   0.264    9.6    12       37.0       58.5
   34   4   0   0 24.571  49.142   0.27     9.08    6       47.1       45.0
   35   1   1   4 24.689  49.378   0.271    8.98   12       20.2       16.3
   36   1   3   2 24.805  49.609   0.272    8.89   12       22.0       19.2
   37   3   1   2 24.805  49.609   0.272    8.89   12       10.7        4.6
   38   3   0   3 24.892  49.784   0.273    8.82   12       22.5       19.9
   39   4   0   1 25.237  50.474   0.277    8.54   12       27.4       28.6
   40   2   0   4 25.495  50.991   0.279    8.35   12       15.7        9.2
   41   2   3   0 26.945  53.89    0.294    7.36    6       22.3        8.2
   42   3   2   0 26.945  53.89    0.294    7.36    6       62.6       64.5
   43   4   0   2 27.163  54.327   0.296    7.23   12       24.7       19.8
   44   2   2   3 27.245  54.491   0.297    7.18   12      106.6      364.6
   45   2   3   1 27.569  55.139   0.3      6.99   12       16.3        8.3
   46   3   2   1 27.569  55.139   0.3      6.99   12        1.0        0.0
   47   1   2   4 27.813  55.625   0.303    6.85   12       11.3        3.9
   48   2   1   4 27.813  55.625   0.303    6.85   12       17.1        8.9
   49   1   3   3 27.999  55.998   0.305    6.75   12       32.4       31.5
   50   3   1   3 27.999  55.998   0.305    6.75   12        5.5        0.9
   51   1   4   0 28.449  56.899   0.309    6.51    6       39.7       22.9
   52   4   1   0 28.449  56.899   0.309    6.51    6       26.5       10.2
   53   1   0   5 28.846  57.691   0.313    6.31   12       22.8       14.7
   54   1   4   1 29.053  58.105   0.315    6.21   12       47.6       62.7
   55   4   1   1 29.053  58.105   0.315    6.21   12       20.6       11.8
   56   3   0   4 29.288  58.575   0.318    6.09   12       40.6       44.9
   57   2   3   2 29.39   58.78    0.319    6.05   12        3.7        0.4
   58   3   2   2 29.39   58.78    0.319    6.05   12        4.1        0.5
   59   4   0   3 30.186  60.371   0.326    5.69   12       18.7        8.9
   60   1   1   5 30.289  60.577   0.327    5.65   12       62.8       99.5
   61   1   4   2 30.817  61.635   0.333    5.44   12       47.0       53.6
   62   4   1   2 30.817  61.635   0.333    5.44   12       24.9       15.1
   63   2   0   5 30.995  61.989   0.334    5.37   12        2.7        0.2
   64   5   0   0 31.317  62.635   0.337    5.25    6       11.8        1.6
   65   2   2   4 31.418  62.836   0.338    5.21   12        4.5        0.5
   66   5   0   1 31.887  63.774   0.343    5.04   12        5.2        0.6
   67   1   3   4 32.11   64.219   0.345    4.97   12       11.1        2.7
   68   3   1   4 32.11   64.219   0.345    4.97   12       20.0        8.9
   69   2   3   3 32.281  64.562   0.347    4.91   12       59.1       76.7
   70   3   2   3 32.281  64.562   0.347    4.91   12        1.6        0.1
   71   3   3   0 32.695  65.39    0.351    4.78    6       96.1       98.5
   72   1   2   5 33.061  66.121   0.354    4.67   12        1.2        0.0
   73   2   1   5 33.061  66.121   0.354    4.67   12       27.5       15.8
   74   3   3   1 33.252  66.504   0.356    4.61   12        1.5        0.0
   75   2   4   0 33.373  66.745   0.357    4.57    6       67.8       47.0
   76   4   2   0 33.373  66.745   0.357    4.57    6        4.1        0.2
   77   5   0   2 33.565  67.13    0.359    4.52   12       25.3       12.9
   78   1   4   3 33.637  67.275   0.36     4.5    12      133.8      359.7
   79   4   1   3 33.637  67.275   0.36     4.5    12       59.5       71.2
   80   2   4   1 33.924  67.848   0.362    4.42   12       16.1        5.1
   81   4   2   1 33.924  67.848   0.362    4.42   12        8.6        1.5
   82   4   0   4 34.14   68.279   0.364    4.36   12        5.7        0.6
   83   3   0   5 34.402  68.803   0.367    4.29   12       22.7        9.9
   84   0   0   6 34.426  68.852   0.367    4.29    2      193.6      119.6
   85   3   3   2 34.897  69.793   0.371    4.17   12       72.9       99.1
   86   1   0   6 35.087  70.174   0.373    4.12   12        1.2        0.0
   87   1   5   0 35.366  70.732   0.376    4.06    6       17.9        2.9
   88   5   1   0 35.366  70.732   0.376    4.06    6       17.9        2.9
   89   2   4   2 35.554  71.107   0.377    4.02   12        6.4        0.7
   90   4   2   2 35.554  71.107   0.377    4.02   12       26.2       12.3
   91   1   5   1 35.903  71.807   0.381    3.94   12       15.9        4.5
   92   5   1   1 35.903  71.807   0.381    3.94   12       15.0        4.0
   93   2   3   4 36.114  72.227   0.383    3.9    12        2.3        0.1
   94   3   2   4 36.114  72.227   0.383    3.9    12       22.2        8.6
   95   5   0   3 36.275  72.551   0.384    3.86   12       16.2        4.5
   96   2   2   5 36.369  72.739   0.385    3.84   12       47.2       38.2
   97   1   1   6 36.393  72.786   0.385    3.84   12       52.3       46.9
   98   1   3   5 37.015  74.031   0.391    3.72   12        4.5        0.3
   99   3   1   5 37.015  74.031   0.391    3.72   12        4.4        0.3
  100   2   0   6 37.039  74.078   0.391    3.71   12        3.7        0.2
  101   1   4   4 37.405  74.81    0.394    3.65   12       46.0       34.5
  102   4   1   4 37.405  74.81    0.394    3.65   12        4.1        0.3
  103   1   5   2 37.496  74.992   0.395    3.63   12       16.5        4.4
  104   5   1   2 37.496  74.992   0.395    3.63   12       16.9        4.6
  105   3   3   3 37.565  75.13    0.396    3.62   12       30.7       15.2
  106   2   4   3 38.204  76.407   0.401    3.51   12       54.3       46.2
  107   4   2   3 38.204  76.407   0.401    3.51   12       23.5        8.7
  108   6   0   0 38.589  77.178   0.405    3.45    6       62.6       30.2
  109   4   0   5 38.931  77.861   0.408    3.4    12       46.0       32.2
  110   1   2   6 38.954  77.908   0.408    3.4    12        1.2        0.0
  111   2   1   6 38.954  77.908   0.408    3.4    12       27.2       11.2
  112   6   0   1 39.11   78.22    0.409    3.37   12       12.4        2.3
  113   3   4   0 39.223  78.445   0.41     3.36    6       62.0       28.8
  114   4   3   0 39.223  78.445   0.41     3.36    6       33.9        8.6
  115   3   4   1 39.741  79.482   0.415    3.29   12        4.3        0.3
  116   4   3   1 39.741  79.482   0.415    3.29   12        3.7        0.2
  117   5   0   4 39.944  79.889   0.417    3.26   12        0.7        0.0
  118   1   5   3 40.101  80.202   0.418    3.24   12       35.4       18.1
  119   5   1   3 40.101  80.202   0.418    3.24   12       12.7        2.3
  120   3   0   6 40.215  80.43    0.419    3.23   12       57.8       48.3
  121   2   5   0 40.481  80.963   0.421    3.2     6       24.2        4.2
  122   5   2   0 40.481  80.963   0.421    3.2     6       54.5       21.2
  123   6   0   2 40.661  81.321   0.423    3.18   12       31.7       14.3
  124   2   3   5 40.819  81.637   0.424    3.16   12       14.4        2.9
  125   3   2   5 40.819  81.637   0.424    3.16   12        3.1        0.1
  126   2   5   1 40.996  81.992   0.426    3.14   12       27.3       10.4
  127   5   2   1 40.996  81.992   0.426    3.14   12       51.2       36.7
  128   3   3   4 41.198  82.395   0.428    3.12   12       17.1        4.1
  129   3   4   2 41.286  82.572   0.428    3.11   12       24.3        8.2
  130   4   3   2 41.286  82.572   0.428    3.11   12       30.2       12.6
  131   2   4   4 41.822  83.643   0.433    3.05   12        4.6        0.3
  132   4   2   4 41.822  83.643   0.433    3.05   12       19.9        5.4
  133   1   0   7 41.89   83.781   0.433    3.05   12       28.4       11.0
  134   1   4   5 42.067  84.134   0.435    3.03   12       44.5       26.9
  135   4   1   5 42.067  84.134   0.435    3.03   12       20.1        5.5
  136   2   2   6 42.09   84.179   0.435    3.03   12       24.0        7.8
  137   2   5   2 42.532  85.064   0.439    2.99   12        1.0        0.0
  138   5   2   2 42.532  85.064   0.439    2.99   12        0.3        0.0
  139   1   3   6 42.711  85.423   0.44     2.98   12        5.0        0.3
  140   3   1   6 42.711  85.423   0.44     2.98   12       48.5       31.3
  141   1   6   0 42.975  85.95    0.442    2.96    6       27.0        4.8
  142   6   1   0 42.975  85.95    0.442    2.96    6       63.0       26.2
  143   1   1   7 43.134  86.267   0.444    2.94   12        5.5        0.4
  144   6   0   3 43.22   86.439   0.445    2.94   12       32.4       13.8
  145   1   6   1 43.485  86.97    0.447    2.92   12        7.1        0.7
  146   6   1   1 43.485  86.97    0.447    2.92   12        4.4        0.3
  147   1   5   4 43.685  87.37    0.448    2.9    12       13.6        2.4
  148   5   1   4 43.685  87.37    0.448    2.9    12       21.3        5.9
  149   2   0   7 43.754  87.507   0.449    2.9    12        0.2        0.0
  150   3   4   3 43.84   87.679   0.45     2.89   12       16.8        3.7
  151   4   3   3 43.84   87.679   0.45     2.89   12       21.6        6.0
  152   5   0   5 44.549  89.097   0.455    2.85   12       11.4        1.7
  153   4   0   6 44.571  89.143   0.456    2.85   12       19.6        4.9


  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   5.967  11.934  7.40971      107.3     13.2     13.3     5.6
    2   1   1   0  10.373  20.746  4.278        812.4    100.0    100.0     5.6
    3   0   0   2  10.862  21.724  4.0875       165.8     20.4     20.4     5.6
    4   1   1   1  11.725  23.451  3.79038      368.6     45.4     45.3     5.6
    5   2   0   0  12.0    24.0    3.70486       14.7      1.8      1.8     5.6
    6   1   0   2  12.428  24.857  3.57905      154.3     19.0     18.9     5.6
    7   2   0   1  13.195  26.39   3.37449       30.6      3.8      3.8     5.6
    8   2   1   0  15.964  31.929  2.80061      218.9     26.9     26.7     5.6
    9   2   0   2  16.296  32.593  2.74506       13.6      1.7      1.7     5.6
   10   2   1   1  16.902  33.804  2.64945      317.0     39.0     38.6     5.7
   11   1   0   3  17.529  35.057  2.55753      111.1     13.7     13.5     5.7
   12   3   0   0  18.172  36.343  2.4699       162.0     19.9     19.7     5.7
   13   3   0   1  19.013  38.027  2.36435        9.1      1.1      1.1     5.7
   14   1   1   3  19.581  39.163  2.29834      175.9     21.7     21.3     5.7
   15   2   0   3  20.542  41.085  2.19516      501.2     61.7     60.6     5.7
   16   2   2   0  21.107  42.214  2.139         22.1      2.7      2.7     5.7
   17   3   0   2  21.369  42.739  2.11394      223.0     27.4     26.9     5.7
   18   2   2   1  21.854  43.707  2.06934       46.9      5.8      5.7     5.7
   19   3   1   0  22.013  44.026  2.05508      439.7     54.1     53.0     5.7
   20   1   0   4  23.015  46.03   1.97018       15.0      1.8      1.8     5.7
   21   1   2   3  23.228  46.457  1.95305      294.6     36.3     35.4     5.7
   22   2   2   2  23.981  47.963  1.89519       58.5      7.2      7.0     5.7
   23   4   0   0  24.571  49.142  1.85243       45.0      5.5      5.4     5.7
   24   1   1   4  24.689  49.378  1.84411       16.3      2.0      2.0     5.7
   25   1   3   2  24.805  49.609  1.83608       23.7      2.9      2.8     5.7
   26   3   0   3  24.892  49.784  1.83004       19.9      2.4      2.4     5.7
   27   4   0   1  25.237  50.474  1.80663       28.6      3.5      3.4     5.8
   28   2   0   4  25.495  50.991  1.78953        9.2      1.1      1.1     5.8
   29   3   2   0  26.945  53.89   1.6999        72.7      8.9      8.7     5.8
   30   4   0   2  27.163  54.327  1.68725       19.8      2.4      2.4     5.8
   31   2   2   3  27.245  54.491  1.68256      364.6     44.9     43.4     5.8
   32   2   3   1  27.569  55.139  1.6643         8.3      1.0      1.0     5.8
   33   2   1   4  27.813  55.625  1.65091       12.9      1.6      1.5     5.8
   34   1   3   3  27.999  55.998  1.64079       32.5      4.0      3.9     5.8
   35   1   4   0  28.449  56.899  1.61693       33.1      4.1      3.9     5.8
   36   1   0   5  28.846  57.691  1.59659       14.7      1.8      1.7     5.8
   37   1   4   1  29.053  58.105  1.5862        74.5      9.2      8.8     5.8
   38   3   0   4  29.288  58.575  1.57459       44.9      5.5      5.3     5.8
   39   4   0   3  30.186  60.371  1.53197        8.9      1.1      1.0     5.8
   40   1   1   5  30.289  60.577  1.52726       99.5     12.2     11.8     5.8
   41   1   4   2  30.817  61.635  1.50356       68.7      8.5      8.1     5.8
   42   3   1   4  32.11   64.219  1.44914       11.6      1.4      1.4     5.9
   43   2   3   3  32.281  64.562  1.44228       76.8      9.4      9.0     5.9
   44   3   3   0  32.695  65.39   1.426         98.5     12.1     11.5     5.9
   45   2   1   5  33.061  66.121  1.41199       15.8      1.9      1.8     5.9
   46   2   4   0  33.373  66.745  1.4003        47.1      5.8      5.5     5.9
   47   5   0   2  33.565  67.13   1.3932        12.9      1.6      1.5     5.9
   48   1   4   3  33.637  67.275  1.39056      430.9     53.0     50.3     5.9
   49   0   0   6  34.426  68.852  1.3625       129.5     15.9     15.1     5.9
   50   3   3   2  34.897  69.793  1.34642       99.1     12.2     11.5     5.9
   51   4   2   2  35.554  71.107  1.32472       12.3      1.5      1.4     5.9
   52   1   5   1  35.903  71.807  1.31353        8.4      1.0      1.0     5.9
   53   3   2   4  36.114  72.227  1.30692        8.6      1.1      1.0     5.9
   54   1   1   6  36.393  72.786  1.29825       85.1     10.5      9.8     6.0
   55   1   4   4  37.405  74.81   1.26806       34.8      4.3      4.0     6.0
   56   5   1   2  37.496  74.992  1.26544        9.0      1.1      1.0     6.0
   57   3   3   3  37.565  75.13   1.26346       15.2      1.9      1.8     6.0
   58   2   4   3  38.204  76.407  1.24548       54.9      6.8      6.3     6.0
   59   6   0   0  38.589  77.178  1.23495       30.2      3.7      3.5     6.0
   60   4   0   5  38.931  77.861  1.22582       43.4      5.3      5.0     6.0
   61   3   4   0  39.223  78.445  1.21815       37.4      4.6      4.3     6.0
   62   1   5   3  40.101  80.202  1.19583       20.5      2.5      2.3     6.0
   63   3   0   6  40.215  80.43   1.19302       48.3      5.9      5.5     6.0
   64   5   2   0  40.481  80.963  1.1865        25.4      3.1      2.9     6.1
   65   6   0   2  40.661  81.321  1.18217       14.3      1.8      1.6     6.1
   66   5   2   1  40.996  81.992  1.1742        47.2      5.8      5.3     6.1
   67   4   3   2  41.286  82.572  1.16741       20.9      2.6      2.4     6.1
   68   1   0   7  41.89   83.781  1.15362       11.0      1.3      1.2     6.1
   69   1   4   5  42.067  84.134  1.14968       40.1      4.9      4.5     6.1
   70   3   1   6  42.711  85.423  1.13559       31.3      3.9      3.5     6.1
   71   6   1   0  42.975  85.95   1.12997       31.1      3.8      3.5     6.1
   72   6   0   3  43.22   86.439  1.12483       13.8      1.7      1.5     6.1
   73   5   1   4  43.685  87.37   1.11523        8.3      1.0      0.9     6.2
   74   4   3   3  43.84   87.679  1.11209        9.7      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)