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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CLINTONITE

1, 1M, f-mica, sf-fragile-mica

Ca(Mg,Al,Fe)(3)[Al(3)Si]O(10)(OH)(2)


Monoclinic  C 2/m  Z = 2

C2/m

5 .12 .1988

Ref.Str.:

         MacKinney John, Mora Claudia I, Bayley Sturges W. (1988)

         * Amer. Mineral., 73, 365-375

                   Initial data from BDM-file 

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

             a =   5.197    alpha =   90.0 
             b =   9.002    beta  =  100.32
             c =   9.812    gamma =   90.0 

    Unit cell volume (cub. angs.) =   451.61

    Molar volume ( cub.cm/mol.) =   136.01

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

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

   1 0.5705  0.167   0.2101   0.0    Al    = 0.75, Si    = 0.25
   2 0.0     0.5     0.5      0.0    Mg    = 0.67, Al    = 0.33
   3 0.5     0.3292  0.5      0.0    Mg    = 0.67, Al    = 0.26, Fe    = 0.07
   4 0.5     0.5     0.0      0.0    Ca    = 1.00
   5 0.4265  0.0     0.1523   0.0    O     = 1.00
   6 0.8627  0.1878  0.1512   0.0    O     = 1.00
   7 0.6316  0.1689  0.3889   0.0    O     = 1.00
   8 0.6277  0.5     0.399    0.0    OH    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.5705     0.167      0.2101
     2       2     0.0        0.5        0.5   
     3       3     0.5        0.3292     0.5   
     4       4     0.5        0.5        0.0   
     5       5     0.4265     0.0        0.1523
     6       6     0.8627     0.1878     0.1512
     7       7     0.6316     0.1689     0.3889
     8       8     0.6277     0.5        0.399 
     9       1     0.4295     0.833      0.7899
    10       3     0.5        0.6708     0.5   
    11       5     0.5735     0.0        0.8477
    12       6     0.1373     0.8122     0.8488
    13       7     0.3684     0.8311     0.6111
    14       8     0.3723     0.5        0.601 
    15       1     0.5705     0.833      0.2101
    16       6     0.8627     0.8122     0.1512
    17       7     0.6316     0.8311     0.3889
    18       1     0.4295     0.167      0.7899
    19       6     0.1373     0.1878     0.8488
    20       7     0.3684     0.1689     0.6111
    21       1     0.0705     0.333      0.2101
    22       2     0.5        0.0        0.5   
    23       3     0.0        0.1708     0.5   
    24       4     0.0        0.0        0.0   
    25       5     0.9265     0.5        0.1523
    26       6     0.3627     0.3122     0.1512
    27       7     0.1316     0.3311     0.3889
    28       8     0.1277     0.0        0.399 
    29       1     0.9295     0.667      0.7899
    30       3     0.0        0.8292     0.5   
    31       5     0.0735     0.5        0.8477
    32       6     0.6373     0.6878     0.8488
    33       7     0.8684     0.6689     0.6111
    34       8     0.8723     0.0        0.601 
    35       1     0.0705     0.667      0.2101
    36       6     0.3627     0.6878     0.1512
    37       7     0.1316     0.6689     0.3889
    38       1     0.9295     0.333      0.7899
    39       6     0.6373     0.3122     0.8488
    40       7     0.8684     0.3311     0.6111


X-ray density (g/cm cub.)   =      3.11

MU (1/cm) =     145.325    Mass attenuation coefficient (cm**2/g) =     46.765

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

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

    1   Al   ,Si             2.364        4
                                                 1.7291       5
                                                 1.729        6
                                                 1.7261       7
                                                 1.7278       6
    2   Mg   ,Al             2.568        6
                                                 2.0097       8
                                                 2.0097       8
                                                 2.0579       7
                                                 2.0579       7
                                                 2.0579       7
                                                 2.0579       7
    3   Mg   ,Al   ,Fe       2.64         6
                                                 2.0014       7
                                                 2.0055       8
                                                 2.0055       8
                                                 2.0014       7
                                                 2.0264       7
                                                 2.0264       7
    4    Ca                  2.928        6
                                                 2.4412       5
                                                 2.4387       6
                                                 2.4412       5
                                                 2.4387       6
                                                 2.4387       6
                                                 2.4387       6
    5    O                   3.312        8
                                                 2.8295       6
                                                 2.8197       7
                                                 3.2147       5
                                                 2.8295       6
                                                 2.8197       7
                                                 2.8297       6
                                                 3.1012       8
                                                 2.8297       6
    6    O                   3.312        8
                                                 2.8295       5
                                                 2.8133       7
                                                 2.8297       5
                                                 2.8295       6
                                                 2.8295       6
                                                 2.8087       7
                                                 3.0768       8
                                                 3.1914       6
    7    O                   3.312       12
                                                 2.8197       5
                                                 2.8133       6
                                                 2.9824       8
                                                 3.0409       7
                                                 2.7736       7
                                                 2.8087       6
                                                 2.9806       7
                                                 2.9806       7
                                                 2.9795       8
                                                 3.0451       8
                                                 2.6972       8
                                                 2.7274       7
    8    OH                  3.36        12
                                                 2.9824       7
                                                 2.5754       8
                                                 2.9824       7
                                                 3.1012       5
                                                 3.0768       6
                                                 3.0451       7
                                                 2.9795       7
                                                 2.6972       7
                                                 3.0768       6
                                                 3.0451       7
                                                 2.9795       7
                                                 2.6972       7

  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   1  4.577   9.154   0.052  311.13    2       29.4      264.4
    2   0   0   2  9.183  18.366   0.104   75.6     2       12.2       11.0
    3   0   2   0  9.854  19.708   0.111   65.37    2       28.2       50.8
    4   1   1   0  9.977  19.955   0.112   63.71    4       16.2       32.9
    5   1   1  -1 10.318  20.635   0.116   59.44    4        6.8        5.4
    6   0   2   1 10.884  21.768   0.123   53.19    4       19.3       38.8
    7   1   1   1 11.638  23.276   0.131   46.26    4       37.3      126.6
    8   1   1  -2 12.504  25.007   0.141   39.8     4       61.5      295.7
    9   0   2   2 13.533  27.065   0.152   33.68    4       71.7      339.9
   10   0   0   3 13.85   27.7     0.155   32.06    2      126.1      499.7
   11   1   1   2 14.666  29.332   0.164   28.38    4       80.8      363.7
   12   1   1  -3 15.829  31.658   0.177   24.09    4       74.1      259.4
   13   0   2   3 17.113  34.227   0.191   20.34    4       64.2      164.6
   14   2   0  -1 17.311  34.622   0.193   19.84    2       40.5       31.9
   15   1   3   0 17.316  34.632   0.193   19.83    4       40.7       64.6
   16   1   3  -1 17.523  35.046   0.195   19.32    4      137.5      716.7
   17   2   0   0 17.536  35.072   0.196   19.29    2      137.8      359.1
   18   2   0  -2 18.342  36.683   0.204   17.48    2       55.2       52.3
   19   1   3   1 18.365  36.73    0.205   17.43    4       56.0      107.3
   20   1   1   3 18.458  36.917   0.206   17.24    4       46.2       72.1
   21   0   0   4 18.613  37.227   0.207   16.92    2       13.5        3.0
   22   1   3  -2 18.949  37.898   0.211   16.27    4       54.8       95.7
   23   2   0   1 18.979  37.958   0.211   16.21    2       56.1       50.0
   24   1   1  -4 19.793  39.586   0.22    14.77    4       29.7       25.5
   25   0   4   0 20.015  40.031   0.222   14.41    2       17.8        4.5
   26   2   2  -1 20.075  40.151   0.223   14.32    4       15.5        6.7
   27   2   2   0 20.274  40.549   0.225   14.0     4       20.2       11.2
   28   2   0  -3 20.465  40.931   0.227   13.71    2       68.0       62.1
   29   1   3   2 20.503  41.005   0.227   13.66    4       67.6      122.6
   30   0   4   1 20.576  41.152   0.228   13.55    4       26.6       18.8
   31   2   2  -2 20.99   41.98    0.233   12.96    4       39.2       39.1
   32   0   2   4 21.233  42.466   0.235   12.63    4       15.5        6.0
   33   1   3  -3 21.387  42.773   0.237   12.43    4      123.6      372.6
   34   2   0   2 21.429  42.859   0.237   12.37    2      124.0      186.4
   35   2   2   1 21.561  43.123   0.239   12.2     4       52.1       64.9
   36   0   4   2 22.188  44.376   0.245   11.44    4       55.8       69.8
   37   1   1   4 22.716  45.432   0.251   10.85    4        5.9        0.7
   38   2   2  -3 22.909  45.819   0.253   10.64    4       54.4       61.8
   39   2   0  -4 23.438  46.875   0.258   10.11    2       64.8       41.6
   40   1   3   3 23.486  46.972   0.259   10.06    4       65.4       84.5
   41   0   0   5 23.514  47.028   0.259   10.03    2       97.3       93.1
   42   2   2   2 23.794  47.588   0.262    9.77    4       38.5       28.3
   43   1   1  -5 24.171  48.343   0.266    9.43    4        1.4        0.0
   44   1   3  -4 24.596  49.192   0.27     9.06    4       57.9       59.7
   45   2   0   3 24.649  49.297   0.271    9.02    2       57.7       29.4
   46   0   4   3 24.688  49.376   0.271    8.98    4       26.5       12.4
   47   2   2  -4 25.658  51.317   0.281    8.23    4       11.0        2.0
   48   0   2   5 25.73   51.46    0.282    8.18    4        3.9        0.2
   49   2   2   3 26.795  53.59    0.293    7.45    4        5.9        0.5
   50   3   1  -1 26.924  53.848   0.294    7.37    4        8.5        1.0
   51   2   4  -1 26.97   53.941   0.294    7.35    4       12.7        2.3
   52   1   5   0 26.974  53.948   0.294    7.34    4        3.0        0.1
   53   2   0  -5 27.056  54.111   0.295    7.29    2       62.8       28.2
   54   1   3   4 27.112  54.225   0.296    7.26    4       62.2       55.1
   55   1   5  -1 27.12   54.24    0.296    7.25    4       13.1        2.4
   56   2   4   0 27.129  54.258   0.296    7.25    4       16.6        3.9
   57   1   1   5 27.326  54.653   0.298    7.13    4        5.2        0.4
   58   3   1  -2 27.36   54.72    0.298    7.11    4       27.5       10.6
   59   3   1   0 27.386  54.773   0.299    7.09    4        3.4        0.2
   60   2   4  -2 27.707  55.414   0.302    6.91    4       15.0        3.0
   61   1   5   1 27.724  55.447   0.302    6.9     4       43.8       26.0
   62   0   4   4 27.905  55.809   0.304    6.8     4        3.7        0.2
   63   1   5  -2 28.151  56.303   0.306    6.66    4       34.8       15.9
   64   2   4   1 28.173  56.347   0.306    6.65    4       56.5       41.7
   65   1   3  -5 28.401  56.803   0.309    6.53    4      127.8      209.2
   66   2   0   4 28.462  56.923   0.309    6.5     2      128.0      104.4
   67   0   0   6 28.605  57.21    0.311    6.43    2       79.2       39.5
   68   3   1  -3 28.667  57.334   0.311    6.4     4       70.6       62.6
   69   3   1   1 28.718  57.436   0.312    6.37    4       36.2       16.4
   70   1   1  -6 28.889  57.777   0.314    6.28    4        1.7        0.0
   71   2   2  -5 29.077  58.154   0.315    6.19    4        4.1        0.2
   72   2   4  -3 29.293  58.587   0.318    6.09    4       43.4       22.5
   73   1   5   2 29.322  58.644   0.318    6.08    4       72.5       62.6
   74   1   5  -3 30.008  60.017   0.325    5.77    4       36.9       15.4
   75   2   4   2 30.042  60.084   0.325    5.76    4       63.6       45.7
   76   2   2   4 30.422  60.844   0.329    5.6     4       13.0        1.8
   77   0   2   6 30.56   61.119   0.33     5.54    4       13.7        2.0
   78   3   1  -4 30.773  61.547   0.332    5.46    4       44.4       21.1
   79   3   1   2 30.846  61.693   0.333    5.43    4       39.4       16.5
   80   0   6   0 30.891  61.782   0.333    5.41    2      211.4      237.1
   81   3   3  -1 30.893  61.785   0.333    5.41    4      211.7      475.4
   82   2   0  -6 31.198  62.396   0.336    5.29    2      176.3      161.2
   83   1   3   5 31.262  62.524   0.337    5.27    4      175.8      319.2
   84   3   3  -2 31.293  62.586   0.337    5.26    4       21.2        4.7
   85   0   6   1 31.303  62.607   0.337    5.25    4       21.4        4.7
   86   3   3   0 31.317  62.634   0.337    5.25    4       22.2        5.1
   87   2   4  -4 31.651  63.302   0.341    5.13    4       30.2        9.1
   88   1   5   3 31.69   63.38    0.341    5.11    4       25.8        6.7
   89   0   4   5 31.713  63.427   0.341    5.11    4        5.3        0.3
   90   1   1   6 32.271  64.543   0.347    4.92    4       30.4        8.9
   91   3   3  -3 32.501  65.002   0.349    4.84    4       11.8        1.3
   92   0   6   2 32.523  65.046   0.349    4.83    4       10.9        1.1
   93   3   3   1 32.548  65.096   0.349    4.83    4       10.6        1.1
   94   1   5  -4 32.607  65.214   0.35     4.81    4       27.0        6.9
   95   2   4   3 32.651  65.302   0.35     4.79    4        9.0        0.8
   96   1   3  -6 32.707  65.414   0.351    4.78    4       32.5        9.9
   97   2   0   5 32.774  65.548   0.351    4.75    2       32.2        4.8
   98   2   2  -6 33.061  66.122   0.354    4.67    4        2.3        0.0
   99   3   1  -5 33.595  67.19    0.359    4.51    4        0.8        0.0
  100   3   1   3 33.688  67.376   0.36     4.48    4       14.3        1.8
  101   1   1  -7 33.948  67.897   0.362    4.41    4       44.5       17.1
  102   0   0   7 33.956  67.913   0.363    4.41    2       44.6        8.6
  103   3   3  -4 34.472  68.943   0.367    4.28    4       77.0       49.7
  104   0   6   3 34.505  69.009   0.368    4.27    4       75.7       48.0
  105   3   3   2 34.541  69.081   0.368    4.26    4       75.0       46.9
  106   2   2   5 34.593  69.185   0.369    4.24    4       17.8        2.6
  107   2   4  -5 34.698  69.396   0.37     4.22    4       10.3        0.9
  108   1   5   4 34.747  69.494   0.37     4.21    4        8.0        0.5
  109   0   2   7 35.746  71.492   0.379    3.97    4       52.5       21.5
  110   2   0  -7 35.818  71.637   0.38     3.96    2       97.5       36.9
  111   1   5  -5 35.873  71.746   0.38     3.95    4        2.6        0.1
  112   1   3   6 35.889  71.779   0.381    3.94    4       98.1       74.5
  113   2   4   4 35.926  71.852   0.381    3.94    4       15.9        1.9
  114   0   4   6 36.053  72.106   0.382    3.91    4       31.3        7.5
  115   2   6  -1 36.399  72.797   0.385    3.84    4       37.5       10.6
  116   4   0  -1 36.408  72.816   0.385    3.83    2       37.1        5.2
  117   4   0  -2 36.52   73.041   0.386    3.81    2      101.8       38.7
  118   2   6   0 36.533  73.067   0.386    3.81    4      101.4       76.8
  119   2   6  -2 37.026  74.051   0.391    3.72    4       13.2        1.3
  120   4   0   0 37.057  74.115   0.391    3.71    2       13.9        0.7
  121   3   1  -6 37.066  74.131   0.391    3.71    4       17.9        2.3
  122   3   3  -5 37.152  74.304   0.392    3.69    4       35.3        9.0
  123   3   1   4 37.177  74.354   0.392    3.69    4        7.1        0.4
  124   0   6   4 37.195  74.391   0.392    3.68    4       35.4        9.0
  125   3   3   3 37.241  74.483   0.393    3.68    4       35.8        9.3
  126   4   0  -3 37.392  74.783   0.394    3.65    2       50.1        9.0
  127   2   6   1 37.427  74.853   0.394    3.64    4       51.3       18.8
  128   1   3  -7 37.491  74.982   0.395    3.63    4       27.5        5.4
  129   2   0   6 37.565  75.131   0.396    3.62    2       28.0        2.8
  130   2   2  -7 37.57   75.139   0.396    3.62    4       48.3       16.5
  131   1   1   7 37.593  75.186   0.396    3.61    4       47.1       15.7
  132   3   5  -1 38.102  76.203   0.401    3.53    4       26.5        4.9
  133   1   7   0 38.143  76.286   0.401    3.52    4       24.2        4.1
  134   4   2  -1 38.149  76.299   0.401    3.52    4        8.8        0.5
  135   4   2  -2 38.26   76.519   0.402    3.5     4       23.3        3.7
  136   1   7  -1 38.265  76.529   0.402    3.5     4        5.5        0.2
  137   2   4  -6 38.379  76.758   0.403    3.48    4       10.7        0.8
  138   2   6  -3 38.401  76.801   0.403    3.48    4       57.7       22.7
  139   1   5   5 38.437  76.875   0.404    3.47    4       19.9        2.7
  140   4   0   1 38.454  76.908   0.404    3.47    2       58.0       11.4
  141   3   5  -2 38.466  76.931   0.404    3.47    4       23.0        3.6
  142   3   5   0 38.488  76.975   0.404    3.47    4        2.7        0.1
  143   1   7   1 38.771  77.542   0.406    3.42    4        6.8        0.3
  144   4   2   0 38.788  77.576   0.407    3.42    4       36.9        9.1
  145   4   0  -4 39.004  78.007   0.409    3.39    2       65.0       14.0
  146   2   6   2 39.06   78.12    0.409    3.38    4       65.1       28.1
  147   4   2  -3 39.117  78.235   0.41     3.37    4       24.6        4.0
  148   1   7  -2 39.133  78.267   0.41     3.37    4       49.6       16.3
  149   2   2   6 39.289  78.577   0.411    3.35    4       56.5       20.9
  150   1   1  -8 39.41   78.821   0.412    3.33    4       38.6        9.7
  151   3   5  -3 39.573  79.147   0.414    3.31    4       63.2       25.9
  152   3   5   1 39.617  79.234   0.414    3.3     4       28.3        5.2
  153   0   0   8 39.669  79.339   0.414    3.3     2       66.6       14.3
  154   1   5  -6 39.764  79.528   0.415    3.28    4       17.0        1.9
  155   2   4   5 39.826  79.652   0.416    3.28    4        3.8        0.1
  156   1   7   2 40.138  80.276   0.418    3.24    4       39.0        9.6
  157   4   2   1 40.166  80.332   0.419    3.23    4       69.1       30.3
  158   2   6  -4 40.5    81.001   0.422    3.19    4       41.2       10.6
  159   3   3  -6 40.504  81.008   0.422    3.19    4       66.6       27.8
  160   0   6   5 40.557  81.114   0.422    3.19    4       67.1       28.1
  161   4   0   2 40.575  81.149   0.422    3.19    2       42.6        5.7
  162   3   3   4 40.613  81.225   0.423    3.18    4       66.8       27.8
  163   4   2  -4 40.709  81.418   0.423    3.17    4       41.4       10.7
  164   1   7  -3 40.736  81.471   0.424    3.17    4       67.9       28.6
  165   0   4   7 40.926  81.853   0.425    3.15    4       59.5       21.9
  166   2   0  -8 40.94   81.88    0.425    3.14    2        1.1        0.0
  167   1   3   7 41.019  82.037   0.426    3.14    4        0.5        0.0
  168   3   1  -7 41.157  82.315   0.427    3.12    4       10.3        0.7
  169   3   1   5 41.287  82.574   0.428    3.11    4       24.9        3.8
  170   4   0  -5 41.333  82.667   0.429    3.1     2       41.5        5.2
  171   0   2   8 41.369  82.737   0.429    3.1     4       21.9        2.9
  172   3   5  -4 41.41   82.82    0.429    3.1     4       53.2       17.2
  173   2   6   3 41.411  82.821   0.429    3.1     4       40.6       10.0
  174   3   5   2 41.475  82.949   0.43     3.09    4       46.7       13.2
  175   1   7   3 42.228  84.456   0.436    3.02    4       40.0        9.5
  176   4   2   2 42.266  84.532   0.437    3.01    4       35.7        7.5
  177   2   2  -8 42.629  85.257   0.44     2.98    4       54.8       17.6
  178   2   4  -7 42.684  85.369   0.44     2.98    4       31.2        5.7
  179   1   5   6 42.752  85.504   0.441    2.97    4       33.4        6.5
  180   1   3  -8 42.8    85.6     0.441    2.97    4       14.0        1.1
  181   2   0   7 42.883  85.765   0.442    2.96    2       13.5        0.5
  182   4   2  -5 43.02   86.04    0.443    2.95    4       32.2        6.0
  183   1   7  -4 43.057  86.114   0.443    2.95    4       14.2        1.2
  184   0   8   0 43.2    86.399   0.444    2.94    2       26.5        2.0
  185   4   4  -1 43.247  86.495   0.445    2.94    4       14.8        1.3
  186   2   6  -5 43.308  86.615   0.445    2.93    4       40.2        9.3
  187   4   4  -2 43.355  86.71    0.446    2.93    4        7.7        0.3
  188   1   1   8 43.394  86.787   0.446    2.92    4       14.3        1.2
  189   4   0   3 43.403  86.805   0.446    2.92    2       39.2        4.4
  190   0   8   1 43.565  87.13    0.447    2.91    4       11.7        0.8
  191   4   4   0 43.871  87.741   0.45     2.89    4       21.2        2.5
  192   3   5  -5 43.962  87.924   0.451    2.89    4        3.3        0.1
  193   3   5   3 44.048  88.095   0.451    2.88    4       20.5        2.4
  194   4   4  -3 44.193  88.385   0.452    2.87    4       34.0        6.5
  195   1   5  -7 44.289  88.577   0.453    2.87    4       41.1        9.5
  196   2   4   6 44.361  88.721   0.454    2.86    4       43.7       10.7
  197   4   0  -6 44.369  88.738   0.454    2.86    2      105.1       31.0
  198   2   6   4 44.467  88.935   0.455    2.86    4      104.8       61.5
  199   3   3  -7 44.525  89.05    0.455    2.85    4       55.1       17.0
  200   2   2   7 44.563  89.125   0.455    2.85    4       45.5       11.6
  201   0   6   6 44.588  89.175   0.456    2.85    4       54.2       16.4
  202   3   3   5 44.653  89.307   0.456    2.85    4       53.6       16.0
  203   0   8   2 44.66   89.32    0.456    2.85    4       41.2        9.5


  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   0   1   4.577   9.154  9.65327      264.4     24.6     25.0     5.6
    2   0   0   2   9.183  18.366  4.82663       11.0      1.0      1.0     5.6
    3   0   2   0   9.854  19.708  4.501         50.8      4.7      4.8     5.6
    4   1   1   0   9.977  19.955  4.44586       32.9      3.1      3.1     5.6
    5   0   2   1  10.884  21.768  4.07935       38.8      3.6      3.6     5.6
    6   1   1   1  11.638  23.276  3.81848      126.6     11.8     11.9     5.6
    7   1   1  -2  12.504  25.007  3.55785      295.7     27.5     27.7     5.6
    8   0   2   2  13.533  27.065  3.29179      339.9     31.6     31.8     5.6
    9   0   0   3  13.85   27.7    3.21776      499.7     46.4     46.7     5.6
   10   1   1   2  14.666  29.332  3.04239      363.7     33.8     34.0     5.6
   11   1   1  -3  15.829  31.658  2.82395      259.4     24.1     24.2     5.6
   12   0   2   3  17.113  34.227  2.61764      164.6     15.3     15.3     5.7
   13   1   3   0  17.316  34.632  2.58791       96.5      9.0      9.0     5.7
   14   1   3  -1  17.523  35.046  2.55834     1075.8    100.0    100.0     5.7
   15   1   3   1  18.365  36.73   2.44481      159.6     14.8     14.8     5.7
   16   1   1   3  18.458  36.917  2.43287       72.1      6.7      6.7     5.7
   17   1   3  -2  18.949  37.898  2.37209       95.7      8.9      8.9     5.7
   18   2   0   1  18.979  37.958  2.3685        50.0      4.7      4.6     5.7
   19   1   1  -4  19.793  39.586  2.27475       25.5      2.4      2.4     5.7
   20   2   2   0  20.274  40.549  2.22293       11.2      1.0      1.0     5.7
   21   2   0  -3  20.465  40.931  2.20307       62.1      5.8      5.7     5.7
   22   1   3   2  20.503  41.005  2.19922      122.6     11.4     11.3     5.7
   23   0   4   1  20.576  41.152  2.19173       18.8      1.7      1.7     5.7
   24   2   2  -2  20.99   41.98   2.15037       39.1      3.6      3.6     5.7
   25   1   3  -3  21.387  42.773  2.11233      372.6     34.6     34.4     5.7
   26   2   0   2  21.429  42.859  2.10831      186.4     17.3     17.2     5.7
   27   2   2   1  21.561  43.123  2.09601       64.9      6.0      6.0     5.7
   28   0   4   2  22.188  44.376  2.03968       69.8      6.5      6.4     5.7
   29   2   2  -3  22.909  45.819  1.97876       61.8      5.7      5.7     5.7
   30   2   0  -4  23.438  46.875  1.9366        41.6      3.9      3.8     5.7
   31   0   0   5  23.514  47.028  1.93065      177.6     16.5     16.3     5.7
   32   2   2   2  23.794  47.588  1.90924       28.3      2.6      2.6     5.7
   33   1   3  -4  24.596  49.192  1.85065       59.7      5.5      5.5     5.7
   34   2   0   3  24.649  49.297  1.84696       29.4      2.7      2.7     5.7
   35   0   4   3  24.688  49.376  1.8442        12.4      1.2      1.1     5.7
   36   2   0  -5  27.056  54.111  1.69346       28.2      2.6      2.6     5.8
   37   1   3   4  27.112  54.225  1.69018       61.5      5.7      5.6     5.8
   38   1   5   1  27.724  55.447  1.65578       29.0      2.7      2.6     5.8
   39   2   4   1  28.173  56.347  1.63146       57.6      5.4      5.2     5.8
   40   1   3  -5  28.401  56.803  1.61945      209.2     19.4     19.0     5.8
   41   2   0   4  28.462  56.923  1.6163       104.4      9.7      9.5     5.8
   42   0   0   6  28.605  57.21   1.60888       39.5      3.7      3.6     5.8
   43   3   1  -3  28.667  57.334  1.60569       62.6      5.8      5.7     5.8
   44   3   1   1  28.718  57.436  1.60309       16.4      1.5      1.5     5.8
   45   1   5   2  29.322  58.644  1.5729        85.1      7.9      7.7     5.8
   46   1   5  -3  30.008  60.017  1.54017       15.4      1.4      1.4     5.8
   47   2   4   2  30.042  60.084  1.53862       45.7      4.3      4.1     5.8
   48   3   1  -4  30.773  61.547  1.5055        21.1      2.0      1.9     5.8
   49   3   1   2  30.846  61.693  1.50228       16.5      1.5      1.5     5.8
   50   3   3  -1  30.893  61.785  1.50026      712.5     66.2     64.2     5.8
   51   2   0  -6  31.198  62.396  1.48704      161.2     15.0     14.5     5.8
   52   1   3   5  31.262  62.524  1.48431      319.2     29.7     28.7     5.8
   53   3   3   0  31.317  62.634  1.48195       14.4      1.3      1.3     5.8
   54   1   1  -7  33.948  67.897  1.37933       25.7      2.4      2.3     5.9
   55   3   3  -4  34.472  68.943  1.36092       49.7      4.6      4.4     5.9
   56   0   6   3  34.505  69.009  1.35979       48.0      4.5      4.3     5.9
   57   3   3   2  34.541  69.081  1.35855       46.9      4.4      4.2     5.9
   58   0   2   7  35.746  71.492  1.31854       21.5      2.0      1.9     5.9
   59   2   0  -7  35.818  71.637  1.31623       36.9      3.4      3.3     5.9
   60   1   3   6  35.889  71.779  1.31398       74.5      6.9      6.6     5.9
   61   2   6  -1  36.399  72.797  1.29808       15.7      1.5      1.4     6.0
   62   2   6   0  36.533  73.067  1.29396      115.5     10.7     10.2     6.0
   63   2   6   1  37.427  74.853  1.26744       18.8      1.7      1.7     6.0
   64   1   1   7  37.593  75.186  1.26265       35.0      3.3      3.1     6.0
   65   2   6  -3  38.401  76.801  1.24008       22.7      2.1      2.0     6.0
   66   3   5  -2  38.466  76.931  1.2383        17.7      1.6      1.6     6.0
   67   4   0  -4  39.004  78.007  1.22389       14.0      1.3      1.2     6.0
   68   2   6   2  39.06   78.12   1.22241       28.1      2.6      2.5     6.0
   69   1   7  -2  39.133  78.267  1.22048       20.3      1.9      1.8     6.0
   70   2   2   6  39.289  78.577  1.21643       20.9      1.9      1.8     6.0
   71   3   5  -3  39.573  79.147  1.2091        25.9      2.4      2.3     6.0
   72   0   0   8  39.669  79.339  1.20666       14.3      1.3      1.3     6.0
   73   4   2   1  40.166  80.332  1.19423       39.9      3.7      3.5     6.0
   74   3   3  -6  40.504  81.008  1.18595       38.4      3.6      3.3     6.1
   75   0   6   5  40.557  81.114  1.18467       33.8      3.1      2.9     6.1
   76   3   3   4  40.613  81.225  1.18333       27.8      2.6      2.4     6.1
   77   1   7  -3  40.736  81.471  1.18038       39.3      3.7      3.4     6.1
   78   0   4   7  40.926  81.853  1.17584       21.9      2.0      1.9     6.1
   79   3   5  -4  41.41   82.82   1.16455       27.2      2.5      2.4     6.1
   80   3   5   2  41.475  82.949  1.16306       13.2      1.2      1.1     6.1
   81   2   2  -8  42.629  85.257  1.13737       17.6      1.6      1.5     6.1
   82   4   0  -6  44.369  88.738  1.10153       41.7      3.9      3.6     6.2
   83   2   6   4  44.467  88.935  1.09961       61.5      5.7      5.2     6.2
   84   3   3  -7  44.525  89.05   1.09849       17.0      1.6      1.4     6.2
   85   0   6   6  44.588  89.175  1.09726       28.0      2.6      2.4     6.2
   86   3   3   5  44.653  89.307  1.09599       25.5      2.4      2.2     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)