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       ***
                  ***********************
FARRINGTONITE

1, analogue

(Zn,Fe,Ni)(3)[PO(4)](2)


Monoclinic  P 2(1)/n  Z = 2

R =0.044          NR =172

14 .8 .1990

Ref.Str.:

         Nord A.G., Ericsson T. (1985)

         * Amer. Mineral., 70, 624-629

Reserv:

         Zn(0.70)Fe(0.20)Ni(0.10)

                   Initial data from BDM-file 

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

             a =   7.54     alpha =   90.0 
             b =   8.446    beta  =   94.93
             c =   5.056    gamma =   90.0 

    Unit cell volume (cub. angs.) =   320.79

    Molar volume ( cub.cm/mol.) =    96.61

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

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

   1 0.619   0.141   0.077    1.0    Zn    = 0.9 , Fe    = 0.07, Ni    = 0.03
   2 0.0     0.0     0.5      1.0    Zn    = 0.29, Fe    = 0.47, Ni    = 0.24
   3 0.198   0.194   0.032    0.8    P     = 1.00
   4 0.05    0.132   0.823    0.5    O     = 1.00
   5 0.125   0.197   0.303    0.5    O     = 1.00
   6 0.256   0.357   0.94     0.5    O     = 1.00
   7 0.361   0.078   0.053    0.5    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.619      0.141      0.077 
     2       2     0.0        0.0        0.5   
     3       3     0.198      0.194      0.032 
     4       4     0.05       0.132      0.823 
     5       5     0.125      0.197      0.303 
     6       6     0.256      0.357      0.94  
     7       7     0.361      0.078      0.053 
     8       1     0.381      0.859      0.923 
     9       3     0.802      0.806      0.968 
    10       4     0.95       0.868      0.177 
    11       5     0.875      0.803      0.697 
    12       6     0.744      0.643      0.06  
    13       7     0.639      0.922      0.947 
    14       1     0.119      0.359      0.577 
    15       2     0.5        0.5        0.0   
    16       3     0.698      0.306      0.532 
    17       4     0.55       0.368      0.323 
    18       5     0.625      0.303      0.803 
    19       6     0.756      0.143      0.44  
    20       7     0.861      0.422      0.553 
    21       1     0.881      0.641      0.423 
    22       3     0.302      0.694      0.468 
    23       4     0.45       0.632      0.677 
    24       5     0.375      0.697      0.197 
    25       6     0.244      0.857      0.56  
    26       7     0.139      0.578      0.447 


X-ray density (g/cm cub.)   =      3.91

MU (1/cm) =     128.132    Mass attenuation coefficient (cm**2/g) =     32.73 

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

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

    1   Zn   ,Fe   ,Ni       2.628        5
                                                 2.0104       7
                                                 1.9731       7
                                                 2.3674       4
                                                 1.9504       5
                                                 2.0273       6
    2   Zn   ,Fe   ,Ni       2.628        6
                                                 1.9865       4
                                                 2.1932       5
                                                 1.9865       4
                                                 2.1932       5
                                                 2.1999       6
                                                 2.1999       6
    3    P                   2.232        4
                                                 1.5599       4
                                                 1.5201       5
                                                 1.529        6
                                                 1.5682       7
    4    O                   3.264        9
                                                 2.505        5
                                                 2.7909       5
                                                 2.4932       6
                                                 2.5672       7
                                                 2.9959       4
                                                 3.1183       5
                                                 2.8169       6
                                                 3.0918       7
                                                 3.1043       6
    5    O                   3.264        8
                                                 2.7909       4
                                                 2.505        4
                                                 2.5459       6
                                                 2.4821       7
                                                 3.1183       4
                                                 2.9597       6
                                                 3.099        7
                                                 3.2464       6
    6    O                   3.264        8
                                                 2.4932       4
                                                 2.5459       5
                                                 2.5354       7
                                                 2.8169       4
                                                 2.9597       5
                                                 3.1043       4
                                                 3.2464       5
                                                 3.1777       7
    7    O                   3.264        7
                                                 2.5672       4
                                                 2.4821       5
                                                 2.5354       6
                                                 2.571        7
                                                 3.0918       4
                                                 3.099        5
                                                 3.1777       6

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   1   1   0  9.169  18.339   0.089   75.83    4       15.4       70.1
    2   1   0  -1 11.836  23.673   0.115   44.65    2      131.9     1510.7
    3   0   1   1 11.932  23.864   0.116   43.91    4       40.1      273.9
    4   0   2   0 12.228  24.457   0.118   41.71    2       25.3       52.0
    5   1   0   1 12.834  25.668   0.124   37.67    2       97.1      689.7
    6   1   1  -1 13.347  26.694   0.129   34.68    4       46.1      286.8
    7   2   0   0 13.777  27.553   0.133   32.43    2        7.7        3.7
    8   1   2   0 14.063  28.125   0.136   31.04    4       28.8      100.3
    9   1   1   1 14.246  28.492   0.138   30.2     4        8.2        8.0
   10   2   1   0 15.107  30.214   0.146   26.64    4      126.9     1667.7
   11   0   2   1 16.045  32.09    0.155   23.4     4       59.5      321.8
   12   1   2  -1 17.148  34.297   0.165   20.25    4       54.2      231.1
   13   2   1  -1 17.675  35.351   0.17    18.96    4       13.7       13.9
   14   1   2   1 17.874  35.748   0.172   18.5     4       39.7      113.2
   15   2   2   0 18.585  37.169   0.178   16.98    4       69.2      316.0
   16   2   1   1 19.068  38.135   0.183   16.05    4       56.4      198.1
   17   1   3   0 19.834  39.667   0.19    14.71    4       59.1      199.5
   18   2   2  -1 20.777  41.554   0.198   13.26    4      106.8      588.3
   19   0   0   2 20.802  41.603   0.199   13.22    2      133.9      460.7
   20   0   3   1 21.344  42.688   0.203   12.48    4      128.2      797.8
   21   0   1   2 21.752  43.504   0.207   11.96    4       41.8       81.2
   22   3   1   0 21.875  43.749   0.208   11.81    4       84.0      324.2
   23   2   2   1 22.003  44.007   0.209   11.66    4       54.2      133.4
   24   1   3  -1 22.22   44.441   0.211   11.4     4       23.8       25.1
   25   1   1  -2 22.321  44.642   0.212   11.29    4       15.5       10.6
   26   3   0  -1 22.644  45.288   0.215   10.93    2       19.9        8.4
   27   1   3   1 22.809  45.618   0.217   10.75    4       52.6      115.8
   28   2   3   0 23.394  46.788   0.222   10.15    4        5.0        1.0
   29   1   1   2 23.483  46.966   0.223   10.06    4       15.5        9.4
   30   3   1  -1 23.534  47.069   0.223   10.01    4       70.8      195.2
   31   2   0  -2 24.22   48.44    0.229    9.38    2       36.0       23.6
   32   3   0   1 24.352  48.705   0.231    9.27    2       32.7       19.2
   33   0   2   2 24.425  48.85    0.231    9.2     4       22.2       17.7
   34   3   2   0 24.537  49.074   0.232    9.11    4       27.4       26.7
   35   1   2  -2 24.947  49.893   0.236    8.77    4       48.5       80.1
   36   0   4   0 25.063  50.126   0.237    8.68    2       73.5       91.1
   37   2   1  -2 25.068  50.135   0.237    8.68    4       35.5       42.4
   38   3   1   1 25.197  50.394   0.238    8.58    4       77.7      201.2
   39   2   3  -1 25.246  50.493   0.238    8.54    4       87.3      252.9
   40   1   2   2 26.019  52.038   0.245    7.97    4       98.4      300.0
   41   3   2  -1 26.067  52.133   0.246    7.94    4       20.1       12.5
   42   1   4   0 26.106  52.212   0.246    7.91    4        3.5        0.4
   43   2   3   1 26.31   52.62    0.248    7.77    4        5.3        0.9
   44   2   0   2 26.376  52.752   0.248    7.73    2       56.4       47.7
   45   2   1   2 27.175  54.35    0.255    7.22    4       22.5       14.2
   46   0   4   1 27.344  54.687   0.257    7.12    4       33.1       30.3
   47   2   2  -2 27.496  54.992   0.258    7.03    4       41.5       47.2
   48   3   2   1 27.617  55.235   0.259    6.96    4       20.9       11.8
   49   1   4  -1 28.077  56.154   0.263    6.7     4       46.3       55.8
   50   4   0   0 28.443  56.885   0.266    6.51    2       45.5       26.1
   51   0   3   2 28.458  56.915   0.266    6.5     4       27.2       18.7
   52   3   3   0 28.558  57.117   0.267    6.45    4       22.3       12.5
   53   1   4   1 28.576  57.151   0.267    6.44    4       26.3       17.3
   54   1   3  -2 28.928  57.855   0.27     6.27    4       99.7      242.2
   55   2   4   0 29.075  58.151   0.272    6.19    4       28.9       20.1
   56   4   1   0 29.203  58.406   0.273    6.13    4        4.5        0.5
   57   2   2   2 29.483  58.966   0.275    6.0     4       71.9      120.6
   58   3   1  -2 29.543  59.087   0.276    5.98    4        5.6        0.7
   59   1   3   2 29.901  59.802   0.279    5.82    4       42.0       39.9
   60   3   3  -1 29.945  59.889   0.279    5.8     4       27.6       17.2
   61   4   1  -1 30.333  60.666   0.282    5.63    4      100.4      220.8
   62   2   4  -1 30.685  61.37    0.285    5.49    4       64.2       87.9
   63   2   3  -2 31.257  62.514   0.29     5.27    4        2.3        0.1
   64   3   3   1 31.369  62.738   0.291    5.23    4        8.8        1.6
   65   4   2   0 31.416  62.832   0.291    5.21    4       43.1       37.5
   66   2   4   1 31.625  63.251   0.293    5.14    4       47.4       44.8
   67   3   2  -2 31.742  63.484   0.294    5.1     4       76.8      116.8
   68   4   1   1 32.21   64.421   0.298    4.94    4       84.8      138.0
   69   3   1   2 32.376  64.753   0.299    4.88    4       93.8      167.0
   70   1   0  -3 32.396  64.792   0.299    4.87    2       85.0       68.4
   71   4   2  -1 32.5    65.001   0.3      4.84    4       43.1       35.0
   72   1   5   0 32.87   65.741   0.303    4.72    4       69.0       87.4
   73   0   1   3 32.897  65.794   0.304    4.72    4       21.4        8.4
   74   1   1  -3 33.102  66.204   0.305    4.65    4       74.9      101.6
   75   2   3   2 33.105  66.21    0.305    4.65    4        5.5        0.5
   76   0   4   2 33.558  67.116   0.309    4.52    4        8.8        1.3
   77   3   4   0 33.65   67.3     0.31     4.5     4       27.5       13.2
   78   1   0   3 33.762  67.524   0.311    4.46    2        0.3        0.0
   79   0   5   1 33.952  67.904   0.312    4.41    4       36.7       23.1
   80   1   4  -2 33.987  67.973   0.312    4.4     4       10.5        1.9
   81   4   2   1 34.313  68.625   0.315    4.32    4       44.1       32.6
   82   1   1   3 34.454  68.908   0.316    4.28    4       10.9        2.0
   83   3   2   2 34.473  68.947   0.316    4.27    4        4.2        0.3
   84   1   5  -1 34.601  69.202   0.317    4.24    4        2.5        0.1
   85   4   0  -2 34.688  69.377   0.318    4.22    2        4.3        0.2
   86   1   4   2 34.879  69.759   0.32     4.17    4       21.3        7.4
   87   3   4  -1 34.92   69.839   0.32     4.16    4       50.7       41.7
   88   4   3   0 34.926  69.852   0.32     4.16    4       34.0       18.7
   89   0   2   3 34.978  69.957   0.32     4.15    4      101.4      165.8
   90   1   5   1 35.045  70.09    0.321    4.13    4       58.2       54.4
   91   2   1  -3 35.055  70.11    0.321    4.13    4        8.2        1.1
   92   1   2  -3 35.178  70.356   0.322    4.1     4       35.7       20.3
   93   3   3  -2 35.235  70.471   0.323    4.09    4       97.6      151.5
   94   4   1  -2 35.372  70.744   0.324    4.06    4       23.4        8.6
   95   2   5   0 35.493  70.986   0.325    4.03    4       87.3      119.4
   96   4   3  -1 35.957  71.913   0.328    3.93    4       30.8       14.5
   97   2   4  -2 36.136  72.271   0.33     3.89    4        2.7        0.1
   98   3   4   1 36.24   72.48    0.33     3.87    4      108.4      176.7
   99   1   2   3 36.494  72.988   0.332    3.82    4       52.9       41.5
  100   2   5  -1 36.951  73.902   0.336    3.73    4       43.5       27.4
  101   2   2  -3 37.081  74.162   0.337    3.7     4       26.5       10.1
  102   5   1   0 37.207  74.413   0.338    3.68    4       79.0       89.4
  103   5   0  -1 37.334  74.668   0.339    3.66    2       40.4       11.6
  104   4   2  -2 37.391  74.782   0.339    3.65    4       26.4        9.9
  105   2   1   3 37.673  75.345   0.342    3.6     4       75.4       79.6
  106   4   3   1 37.693  75.386   0.342    3.6     4       10.9        1.6
  107   2   5   1 37.814  75.629   0.343    3.57    4       72.3       72.7
  108   3   3   2 37.848  75.695   0.343    3.57    4       36.3       18.2
  109   2   4   2 37.869  75.737   0.343    3.57    4       83.1       95.7
  110   3   0  -3 37.978  75.956   0.344    3.55    2      100.9       70.2
  111   5   1  -1 37.998  75.997   0.344    3.54    4       17.0        4.0
  112   4   0   2 38.177  76.353   0.346    3.52    2       18.7        2.4
  113   0   3   3 38.334  76.669   0.347    3.49    4       51.2       35.5
  114   1   3  -3 38.527  77.054   0.348    3.46    4       15.3        3.1
  115   3   1  -3 38.638  77.277   0.349    3.44    4       48.6       31.6
  116   4   1   2 38.836  77.672   0.351    3.41    4       66.8       59.3
  117   5   2   0 39.191  78.381   0.353    3.36    4       19.7        5.1
  118   0   6   0 39.451  78.902   0.355    3.33    2       85.4       47.1
  119   5   0   1 39.473  78.946   0.355    3.32    2       63.7       26.2
  120   4   4   0 39.599  79.197   0.356    3.31    4       75.9       74.1
  121   0   5   2 39.612  79.223   0.356    3.3     4       30.7       12.1
  122   2   2   3 39.649  79.298   0.357    3.3     4        3.5        0.2
  123   3   5   0 39.698  79.395   0.357    3.29    4       26.9        9.3
  124   1   3   3 39.803  79.606   0.358    3.28    4       39.5       19.9
  125   3   4  -2 39.894  79.789   0.359    3.27    4       36.6       17.0
  126   5   2  -1 39.97   79.94    0.359    3.26    4       55.9       39.6
  127   1   5  -2 40.014  80.028   0.359    3.25    4       56.7       40.6
  128   5   1   1 40.127  80.253   0.36     3.24    4       51.8       33.8
  129   1   6   0 40.277  80.553   0.361    3.22    4       75.3       71.0
  130   2   3  -3 40.374  80.749   0.362    3.21    4       70.6       62.2
  131   4   4  -1 40.587  81.174   0.364    3.18    4       10.2        1.3
  132   3   2  -3 40.601  81.202   0.364    3.18    4       15.6        3.0
  133   4   3  -2 40.677  81.353   0.364    3.17    4       57.0       40.1
  134   4   2   2 40.796  81.593   0.365    3.16    4        6.7        0.6
  135   1   5   2 40.858  81.715   0.366    3.15    4       35.8       15.7
  136   3   5  -1 40.896  81.792   0.366    3.15    4       64.4       50.8
  137   0   6   1 41.282  82.564   0.369    3.11    4        0.9        0.0
  138   3   0   3 41.789  83.578   0.373    3.06    2        6.3        0.2
  139   1   6  -1 41.89   83.781   0.373    3.05    4       51.1       31.0
  140   2   5  -2 42.055  84.109   0.374    3.03    4       33.1       12.9
  141   5   2   1 42.073  84.146   0.375    3.03    4       60.5       43.2
  142   3   5   1 42.154  84.309   0.375    3.02    4       47.6       26.7
  143   4   4   1 42.266  84.532   0.376    3.01    4       42.2       20.9
  144   1   6   1 42.309  84.618   0.376    3.01    4       27.3        8.8
  145   3   4   2 42.416  84.833   0.377    3.0     4       30.7       11.0
  146   3   1   3 42.435  84.87    0.377    3.0     4        6.7        0.5
  147   5   3   0 42.44   84.88    0.377    3.0     4       36.2       15.2
  148   5   1  -2 42.443  84.886   0.377    3.0     4       72.8       61.8
  149   2   6   0 42.733  85.465   0.379    2.98    4       16.0        3.0
  150   0   4   3 42.891  85.782   0.38     2.96    4       28.9        9.6
  151   2   3   3 42.891  85.782   0.38     2.96    4       48.5       27.1
  152   1   4  -3 43.079  86.158   0.382    2.95    4       38.3       16.8
  153   5   3  -1 43.208  86.415   0.383    2.94    4        3.2        0.1
  154   2   5   2 43.725  87.45    0.386    2.9     4       40.7       18.7
  155   4   1  -3 43.752  87.503   0.387    2.9     4       37.3       15.7
  156   3   3  -3 43.831  87.662   0.387    2.9     4       34.7       13.6
  157   4   3   2 44.024  88.048   0.388    2.88    4       25.9        7.5
  158   2   6  -1 44.125  88.25    0.389    2.88    4       44.6       22.3
  159   1   4   3 44.33   88.659   0.391    2.86    4       51.2       29.2
  160   3   2   3 44.366  88.732   0.391    2.86    4       24.1        6.5
  161   5   2  -2 44.374  88.749   0.391    2.86    4       50.7       28.6
  162   2   4  -3 44.893  89.785   0.395    2.83    4       42.6       20.0
  163   2   6   1 44.958  89.916   0.395    2.83    4       32.5       11.6


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (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   1   0   9.169  18.339  5.61312       70.1      4.2      4.2     5.6
    2   1   0  -1  11.836  23.673  4.36069     1510.7     90.6     91.1     5.6
    3   0   1   1  11.932  23.864  4.32628      273.9     16.4     16.5     5.6
    4   0   2   0  12.228  24.457  4.223         52.0      3.1      3.1     5.6
    5   1   0   1  12.834  25.668  4.02674      689.7     41.4     41.5     5.6
    6   1   1  -1  13.347  26.694  3.87473      286.8     17.2     17.2     5.6
    7   1   2   0  14.063  28.125  3.6812       100.3      6.0      6.0     5.6
    8   2   1   0  15.107  30.214  3.43198     1667.7    100.0    100.0     5.6
    9   0   2   1  16.045  32.09   3.23621      321.8     19.3     19.3     5.6
   10   1   2  -1  17.148  34.297  3.03362      231.1     13.9     13.8     5.7
   11   1   2   1  17.874  35.748  2.91425      113.2      6.8      6.8     5.7
   12   2   2   0  18.585  37.169  2.80656      316.0     18.9     18.8     5.7
   13   2   1   1  19.068  38.135  2.73798      198.1     11.9     11.8     5.7
   14   1   3   0  19.834  39.667  2.63628      199.5     12.0     11.9     5.7
   15   2   2  -1  20.777  41.554  2.52151     1049.0     62.9     62.2     5.7
   16   0   3   1  21.344  42.688  2.45755      797.8     47.8     47.3     5.7
   17   0   1   2  21.752  43.504  2.41362       81.2      4.9      4.8     5.7
   18   3   1   0  21.875  43.749  2.40075      324.2     19.4     19.2     5.7
   19   2   2   1  22.003  44.007  2.38739      133.4      8.0      7.9     5.7
   20   1   3  -1  22.22   44.441  2.36523       25.1      1.5      1.5     5.7
   21   1   3   1  22.809  45.618  2.30732      115.8      6.9      6.8     5.7
   22   3   1  -1  23.534  47.069  2.24007      195.2     11.7     11.5     5.7
   23   2   0  -2  24.22   48.44   2.18035       23.6      1.4      1.4     5.7
   24   3   0   1  24.352  48.705  2.1692        19.2      1.2      1.1     5.7
   25   0   2   2  24.425  48.85   2.16314       17.7      1.1      1.0     5.7
   26   3   2   0  24.537  49.074  2.15386       26.7      1.6      1.6     5.7
   27   1   2  -2  24.947  49.893  2.12071       80.1      4.8      4.7     5.7
   28   0   4   0  25.063  50.126  2.1115       133.5      8.0      7.8     5.7
   29   3   1   1  25.197  50.394  2.10101      201.2     12.1     11.8     5.8
   30   2   3  -1  25.246  50.493  2.09715      252.9     15.2     14.9     5.8
   31   1   2   2  26.019  52.038  2.03904      300.0     18.0     17.6     5.8
   32   2   0   2  26.376  52.752  2.01337       47.7      2.9      2.8     5.8
   33   0   4   1  27.344  54.687  1.94734       30.3      1.8      1.8     5.8
   34   2   2  -2  27.496  54.992  1.93736       47.2      2.8      2.8     5.8
   35   1   4  -1  28.077  56.154  1.90043       55.8      3.3      3.3     5.8
   36   4   0   0  28.443  56.885  1.87803       44.8      2.7      2.6     5.8
   37   1   4   1  28.576  57.151  1.87          29.8      1.8      1.7     5.8
   38   1   3  -2  28.928  57.855  1.84919      242.2     14.5     14.1     5.8
   39   2   4   0  29.075  58.151  1.8406        20.1      1.2      1.2     5.8
   40   2   2   2  29.483  58.966  1.81739      120.6      7.2      7.0     5.8
   41   1   3   2  29.901  59.802  1.79429       39.9      2.4      2.3     5.8
   42   3   3  -1  29.945  59.889  1.79191       17.2      1.0      1.0     5.8
   43   4   1  -1  30.333  60.666  1.77112      220.8     13.2     12.8     5.8
   44   2   4  -1  30.685  61.37   1.75276       87.9      5.3      5.1     5.8
   45   4   2   0  31.416  62.832  1.71599       37.5      2.3      2.2     5.9
   46   2   4   1  31.625  63.251  1.7058        44.8      2.7      2.6     5.9
   47   3   2  -2  31.742  63.484  1.70019      116.8      7.0      6.7     5.9
   48   4   1   1  32.21   64.421  1.67807      138.0      8.3      7.9     5.9
   49   3   1   2  32.376  64.753  1.67039      235.5     14.1     13.6     5.9
   50   4   2  -1  32.5    65.001  1.66472       35.0      2.1      2.0     5.9
   51   1   5   0  32.87   65.741  1.64805       95.8      5.7      5.5     5.9
   52   1   1  -3  33.102  66.204  1.6378       102.2      6.1      5.9     5.9
   53   0   5   1  33.952  67.904  1.60155       23.1      1.4      1.3     5.9
   54   4   2   1  34.313  68.625  1.58674       32.6      2.0      1.9     5.9
   55   3   4  -1  34.92   69.839  1.56257       60.4      3.6      3.4     5.9
   56   0   2   3  34.978  69.957  1.56029      165.8      9.9      9.5     5.9
   57   1   5   1  35.045  70.09   1.55769       55.4      3.3      3.2     5.9
   58   1   2  -3  35.178  70.356  1.55257       20.3      1.2      1.2     5.9
   59   3   3  -2  35.235  70.471  1.55037      151.5      9.1      8.6     5.9
   60   2   5   0  35.493  70.986  1.54057      119.4      7.2      6.8     5.9
   61   3   4   1  36.24   72.48   1.51304      176.7     10.6     10.0     5.9
   62   1   2   3  36.494  72.988  1.50396       41.5      2.5      2.4     6.0
   63   2   5  -1  36.951  73.902  1.48796       27.4      1.6      1.6     6.0
   64   5   1   0  37.207  74.413  1.4792        89.4      5.4      5.1     6.0
   65   2   1   3  37.673  75.345  1.46357       81.3      4.9      4.6     6.0
   66   2   5   1  37.814  75.629  1.4589        72.7      4.4      4.1     6.0
   67   2   4   2  37.869  75.737  1.45712      114.0      6.8      6.4     6.0
   68   3   0  -3  37.978  75.956  1.45356       74.2      4.4      4.2     6.0
   69   0   3   3  38.334  76.669  1.44209       35.5      2.1      2.0     6.0
   70   3   1  -3  38.638  77.277  1.4325        31.6      1.9      1.8     6.0
   71   4   1   2  38.836  77.672  1.42636       59.3      3.6      3.3     6.0
   72   0   6   0  39.451  78.902  1.40767       73.3      4.4      4.1     6.0
   73   4   4   0  39.599  79.197  1.40328       86.2      5.2      4.8     6.0
   74   1   3   3  39.803  79.606  1.39727       19.9      1.2      1.1     6.0
   75   3   4  -2  39.894  79.789  1.3946        17.0      1.0      1.0     6.0
   76   5   2  -1  39.97   79.94   1.3924        39.6      2.4      2.2     6.0
   77   1   5  -2  40.014  80.028  1.39112       40.6      2.4      2.3     6.0
   78   5   1   1  40.127  80.253  1.38788       33.8      2.0      1.9     6.0
   79   1   6   0  40.277  80.553  1.38358       71.0      4.3      4.0     6.1
   80   2   3  -3  40.374  80.749  1.38081       62.2      3.7      3.5     6.1
   81   4   3  -2  40.677  81.353  1.37232       40.1      2.4      2.2     6.1
   82   3   5  -1  40.896  81.792  1.36624       50.8      3.0      2.8     6.1
   83   1   6  -1  41.89   83.781  1.3396        31.0      1.9      1.7     6.1
   84   5   2   1  42.073  84.146  1.33487       56.1      3.4      3.1     6.1
   85   3   5   1  42.154  84.309  1.33276       26.7      1.6      1.5     6.1
   86   4   4   1  42.266  84.532  1.32991       20.9      1.3      1.2     6.1
   87   5   1  -2  42.443  84.886  1.3254        88.6      5.3      4.9     6.1
   88   2   3   3  42.891  85.782  1.31421       36.7      2.2      2.0     6.1
   89   1   4  -3  43.079  86.158  1.30959       16.8      1.0      0.9     6.1
   90   2   5   2  43.725  87.45   1.29407       34.4      2.1      1.9     6.2
   91   2   6  -1  44.125  88.25   1.28473       22.3      1.3      1.2     6.2
   92   1   4   3  44.33   88.659  1.28002       29.2      1.8      1.6     6.2
   93   5   2  -2  44.374  88.749  1.279         35.0      2.1      1.9     6.2
   94   2   4  -3  44.893  89.785  1.26733       20.0      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)