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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SARCOPSIDE

6, Zn, analogue

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


Monoclinic  P 2(1)/a  Z = 2

R =0.18          NR =580

21 .1 .1991

Ref.Str.:

         Kabalov Yu.K., Simonov M.A., Belov N.B. et al. (1973)

         * Dokl. Akad. Nauk SSSR, 210, 830-832

                   Initial data from BDM-file 

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

             a =  10.404    alpha =   90.0 
             b =   4.771    beta  =   91.12
             c =   6.006    gamma =   90.0 

    Unit cell volume (cub. angs.) =   298.07

    Molar volume ( cub.cm/mol.) =    89.77

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

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

   1 0.0     0.0     0.0      0.34   Fe    = 0.76, Zn    = 0.24
   2 0.283   0.981   0.266    0.09   Fe    = 0.76, Zn    = 0.24
   3 0.101   0.434   0.239    0.07   P     = 1.00
   4 0.16    0.282   0.027    0.17   O     = 1.00
   5 0.181   0.316   0.427    0.55   O     = 1.00
   6 0.1     0.756   0.226    0.51   O     = 1.00
   7 0.463   0.179   0.25     0.44   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.283      0.981      0.266 
     3       3     0.101      0.434      0.239 
     4       4     0.16       0.282      0.027 
     5       5     0.181      0.316      0.427 
     6       6     0.1        0.756      0.226 
     7       7     0.463      0.179      0.25  
     8       2     0.717      0.019      0.734 
     9       3     0.899      0.566      0.761 
    10       4     0.84       0.718      0.973 
    11       5     0.819      0.684      0.573 
    12       6     0.9        0.244      0.774 
    13       7     0.537      0.821      0.75  
    14       1     0.5        0.5        0.0   
    15       2     0.783      0.519      0.266 
    16       3     0.601      0.066      0.239 
    17       4     0.66       0.218      0.027 
    18       5     0.681      0.184      0.427 
    19       6     0.6        0.744      0.226 
    20       7     0.963      0.321      0.25  
    21       2     0.217      0.481      0.734 
    22       3     0.399      0.934      0.761 
    23       4     0.34       0.782      0.973 
    24       5     0.319      0.816      0.573 
    25       6     0.4        0.256      0.774 
    26       7     0.037      0.679      0.75  


X-ray density (g/cm cub.)   =      4.06

MU (1/cm) =     178.922    Mass attenuation coefficient (cm**2/g) =     44.089

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

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

    1   Fe   ,Zn             2.628        6
                                                 2.144        4
                                                 2.0554       6
                                                 2.144        4
                                                 2.0554       6
                                                 2.1842       7
                                                 2.1842       7
    2   Fe   ,Zn             2.628        6
                                                 2.3851       4
                                                 2.1577       5
                                                 2.1948       6
                                                 2.1014       7
                                                 2.0954       4
                                                 2.0329       5
    3    P                   2.232        4
                                                 1.5983       4
                                                 1.4993       5
                                                 1.5383       6
                                                 1.5363       7
    4    O                   3.264        9
                                                 2.4135       5
                                                 2.6385       6
                                                 2.854        6
                                                 3.0819       6
                                                 2.4772       7
                                                 3.054        4
                                                 3.054        4
                                                 2.9508       6
                                                 2.8124       7
    5    O                   3.264        9
                                                 2.4135       4
                                                 2.5563       6
                                                 3.044        6
                                                 3.2074       7
                                                 2.4861       7
                                                 2.9106       5
                                                 2.9106       5
                                                 3.071        6
                                                 3.0201       7
    6    O                   3.264       11
                                                 2.854        4
                                                 2.6385       4
                                                 3.044        5
                                                 2.5563       5
                                                 3.0819       4
                                                 3.054        7
                                                 2.5234       7
                                                 2.9508       4
                                                 3.071        5
                                                 3.248        7
                                                 2.9435       7
    7    O                   3.264        9
                                                 3.2074       5
                                                 2.4772       4
                                                 2.4861       5
                                                 3.054        6
                                                 2.5234       6
                                                 2.8124       4
                                                 3.0201       5
                                                 3.248        6
                                                 2.9435       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   0   0   1  8.566  17.133   0.083   87.2     2       51.3      516.2
    2   2   0   0  9.903  19.806   0.096   64.7     2       21.8       69.5
    3   1   1   0 11.903  23.806   0.115   44.13    4       27.6      151.0
    4   2   0  -1 13.021  26.042   0.126   36.54    2       98.2      793.8
    5   2   0   1 13.28   26.56    0.128   35.05    2       26.8       56.8
    6   0   1   1 13.854  27.708   0.134   32.04    4       21.3       65.7
    7   1   1  -1 14.681  29.362   0.142   28.32    4      108.7     1506.8
    8   2   1   0 14.739  29.477   0.142   28.08    4       28.8      104.7
    9   1   1   1 14.798  29.595   0.143   27.84    4       15.1       28.7
   10   2   1  -1 17.044  34.088   0.164   20.52    4       15.6       22.6
   11   2   1   1 17.248  34.495   0.166   20.0     4       22.7       46.3
   12   0   0   2 17.332  34.665   0.167   19.79    2       96.8      417.1
   13   3   1   0 18.596  37.192   0.178   16.96    4      112.3      962.7
   14   2   0  -2 19.942  39.884   0.191   14.53    2       73.2      175.1
   15   4   0   0 20.118  40.236   0.192   14.25    2       42.0       56.7
   16   2   0   2 20.297  40.594   0.194   13.97    2       49.1       75.8
   17   3   1  -1 20.477  40.954   0.196   13.7     4       61.4      232.4
   18   0   1   2 20.609  41.219   0.197   13.5     4       11.1        7.5
   19   3   1   1 20.738  41.476   0.198   13.32    4      129.7     1009.0
   20   1   1  -2 21.159  42.318   0.202   12.73    4       78.2      350.2
   21   1   1   2 21.329  42.658   0.203   12.5     4      106.0      632.2
   22   4   0  -1 21.848  43.696   0.208   11.85    2       86.5      199.7
   23   0   2   0 22.022  44.043   0.21    11.64    2       79.2      164.4
   24   4   0   1 22.178  44.356   0.211   11.45    2       46.6       55.9
   25   1   2   0 22.625  45.249   0.215   10.95    4       54.6      146.8
   26   2   1  -2 22.904  45.809   0.218   10.65    4       31.1       46.3
   27   4   1   0 23.062  46.125   0.219   10.48    4       59.8      169.1
   28   2   1   2 23.223  46.446   0.22    10.32    4       38.2       67.9
   29   0   2   1 23.795  47.589   0.226    9.77    4       24.2       25.7
   30   1   2  -1 24.325  48.65    0.23     9.29    4       44.7       83.6
   31   2   2   0 24.363  48.726   0.231    9.26    4       24.5       25.0
   32   1   2   1 24.402  48.803   0.231    9.22    4       32.9       44.9
   33   4   1  -1 24.626  49.253   0.233    9.03    4        3.4        0.5
   34   4   1   1 24.928  49.856   0.236    8.79    4        4.4        0.8
   35   3   1  -2 25.655  51.309   0.242    8.23    4        4.2        0.7
   36   2   2  -1 25.941  51.882   0.245    8.03    4       19.3       13.5
   37   2   2   1 26.086  52.173   0.246    7.92    4       70.3      176.4
   38   3   1   2 26.093  52.186   0.246    7.92    4        8.8        2.8
   39   0   0   3 26.543  53.086   0.25     7.62    2       58.0       57.7
   40   4   0  -2 26.783  53.566   0.252    7.46    2       11.6        2.3
   41   3   2   0 27.073  54.146   0.254    7.28    4        0.4        0.0
   42   4   0   2 27.349  54.699   0.257    7.12    2        2.9        0.1
   43   5   1   0 27.972  55.944   0.262    6.76    4        4.9        0.7
   44   2   0  -3 28.403  56.806   0.266    6.53    2       16.3        3.9
   45   3   2  -1 28.51   57.02    0.267    6.48    4        2.3        0.2
   46   0   2   2 28.614  57.227   0.268    6.42    4       53.5       82.7
   47   3   2   1 28.715  57.429   0.269    6.37    4       12.3        4.3
   48   2   0   3 28.813  57.625   0.269    6.32    2        1.6        0.0
   49   0   1   3 28.986  57.973   0.271    6.24    4       18.1        9.2
   50   1   2  -2 29.047  58.094   0.271    6.21    4       18.3        9.4
   51   1   2   2 29.182  58.364   0.273    6.14    4       16.4        7.4
   52   4   1  -2 29.213  58.426   0.273    6.13    4        3.6        0.4
   53   5   1  -1 29.313  58.626   0.274    6.08    4       95.9      252.0
   54   1   1  -3 29.383  58.766   0.274    6.05    4       23.3       14.8
   55   1   1   3 29.584  59.168   0.276    5.96    4       94.5      239.5
   56   5   1   1 29.648  59.295   0.277    5.93    4        1.5        0.1
   57   4   1   2 29.749  59.497   0.277    5.88    4        0.5        0.0
   58   2   2  -2 30.456  60.911   0.283    5.58    4      122.7      378.6
   59   4   2   0 30.585  61.171   0.284    5.53    4       82.2      168.4
   60   2   2   2 30.718  61.435   0.286    5.48    4      109.9      297.7
   61   2   1  -3 30.749  61.499   0.286    5.46    4       49.3       59.7
   62   6   0   0 31.06   62.12    0.288    5.34    2        4.6        0.3
   63   2   1   3 31.14   62.28    0.289    5.31    4       17.2        7.1
   64   4   2  -1 31.89   63.779   0.295    5.04    4      107.7      263.2
   65   4   2   1 32.145  64.29    0.297    4.96    4       30.6       20.8
   66   6   0  -1 32.29   64.58    0.299    4.91    2       72.9       58.7
   67   6   0   1 32.67   65.34    0.302    4.79    2      144.7      225.6
   68   3   2  -2 32.765  65.529   0.303    4.76    4        8.2        1.4
   69   3   1  -3 33.016  66.031   0.305    4.68    4      124.6      327.1
   70   3   2   2 33.142  66.284   0.306    4.64    4        1.3        0.0
   71   6   1   0 33.294  66.589   0.307    4.6     4        2.0        0.1
   72   5   1  -2 33.445  66.889   0.308    4.55    4       51.7       54.9
   73   3   1   3 33.578  67.157   0.309    4.52    4       33.3       22.5
   74   4   0  -3 33.956  67.912   0.312    4.41    2       32.9       10.8
   75   5   1   2 34.066  68.131   0.313    4.38    4       68.1       91.6
   76   6   1  -1 34.482  68.964   0.316    4.27    4       23.6       10.7
   77   1   3   0 34.678  69.357   0.318    4.22    4       34.5       22.6
   78   4   0   3 34.696  69.391   0.318    4.22    2      131.5      164.4
   79   5   2   0 34.784  69.567   0.319    4.2     4       14.8        4.1
   80   6   1   1 34.85   69.7     0.319    4.18    4        3.7        0.3
   81   0   3   1 35.579  71.158   0.325    4.01    4       14.4        3.7
   82   0   2   3 35.686  71.371   0.326    3.99    4       43.5       33.9
   83   4   2  -2 35.889  71.777   0.328    3.94    4        3.1        0.2
   84   5   2  -1 35.978  71.956   0.328    3.92    4       29.1       15.0
   85   1   3  -1 35.995  71.991   0.329    3.92    4       89.2      140.3
   86   2   3   0 36.025  72.05    0.329    3.91    4       39.5       27.5
   87   1   2  -3 36.041  72.082   0.329    3.91    4       25.5       11.4
   88   1   3   1 36.056  72.111   0.329    3.91    4       24.6       10.6
   89   4   1  -3 36.099  72.198   0.329    3.9     4        1.8        0.1
   90   6   0  -2 36.207  72.414   0.33     3.88    2      108.0      101.7
   91   1   2   3 36.222  72.444   0.33     3.87    4       17.9        5.6
   92   5   2   1 36.279  72.559   0.331    3.86    4       31.1       16.8
   93   4   2   2 36.371  72.741   0.331    3.84    4       25.2       11.0
   94   0   0   4 36.571  73.143   0.333    3.8     2      157.2      211.6
   95   4   1   3 36.819  73.639   0.335    3.75    4       15.1        3.8
   96   6   0   2 36.927  73.853   0.336    3.73    2      105.8       94.0
   97   2   2  -3 37.278  74.557   0.339    3.67    4       17.8        5.3
   98   2   3  -1 37.293  74.585   0.339    3.67    4       37.7       23.5
   99   2   3   1 37.412  74.823   0.34     3.64    4       28.9       13.7
  100   2   2   3 37.635  75.27    0.341    3.61    4       19.4        6.1
  101   2   0  -4 38.091  76.182   0.345    3.53    2       28.4        6.4
  102   3   3   0 38.227  76.453   0.346    3.51    4       60.3       57.4
  103   6   1  -2 38.297  76.595   0.346    3.5     4        8.4        1.1
  104   2   0   4 38.563  77.125   0.348    3.45    2       26.5        5.5
  105   0   1   4 38.655  77.309   0.349    3.44    4        2.2        0.1
  106   1   1  -4 38.971  77.942   0.352    3.39    4       22.5        7.7
  107   6   1   2 39.003  78.006   0.352    3.39    4        3.2        0.2
  108   7   1   0 39.083  78.166   0.352    3.38    4      100.0      152.0
  109   1   1   4 39.205  78.411   0.353    3.36    4       41.2       25.6
  110   3   2  -3 39.367  78.735   0.355    3.34    4       12.4        2.3
  111   3   3  -1 39.44   78.88    0.355    3.33    4       37.7       21.3
  112   0   3   2 39.529  79.057   0.356    3.32    4       11.9        2.1
  113   3   3   1 39.615  79.231   0.356    3.3     4       98.4      144.1
  114   6   2   0 39.628  79.255   0.357    3.3     4       16.3        3.9
  115   5   2  -2 39.768  79.536   0.358    3.28    4        1.2        0.0
  116   3   2   3 39.893  79.786   0.359    3.27    4       27.0       10.8
  117   1   3  -2 39.901  79.802   0.359    3.27    4       27.1       10.8
  118   5   1  -3 39.942  79.884   0.359    3.26    4       23.4        8.0
  119   1   3   2 40.018  80.036   0.359    3.25    4       65.1       62.1
  120   2   1  -4 40.148  80.297   0.36     3.24    4        1.4        0.0
  121   7   1  -1 40.173  80.345   0.361    3.23    4       45.0       29.5
  122   5   2   2 40.35   80.701   0.362    3.21    4       11.8        2.0
  123   7   1   1 40.58   81.159   0.364    3.19    4        0.6        0.0
  124   2   1   4 40.613  81.227   0.364    3.18    4       13.7        2.7
  125   6   2  -1 40.742  81.485   0.365    3.17    4       28.9       11.9
  126   5   1   3 40.814  81.628   0.365    3.16    4       40.5       23.3
  127   6   2   1 41.09   82.181   0.367    3.13    4       83.2       97.4
  128   2   3  -2 41.13   82.26    0.368    3.12    4       57.6       46.7
  129   4   3   0 41.244  82.489   0.369    3.11    4       22.3        7.0
  130   2   3   2 41.361  82.723   0.369    3.1     4       61.6       53.0
  131   3   1  -4 42.17   84.341   0.375    3.02    4       53.6       39.1
  132   4   2  -3 42.279  84.558   0.376    3.01    4        5.9        0.5
  133   4   3  -1 42.408  84.816   0.377    3.0     4       56.2       42.7
  134   6   0  -3 42.526  85.051   0.378    2.99    2      137.1      126.7
  135   4   3   1 42.638  85.277   0.379    2.98    4       39.6       21.1
  136   3   1   4 42.862  85.723   0.38     2.96    4       80.0       85.5
  137   4   2   3 42.97   85.94    0.381    2.96    4       86.6       99.8
  138   4   0  -4 43.01   86.021   0.381    2.95    2       49.6       16.3
  139   3   3  -2 43.201  86.403   0.383    2.94    4       18.5        4.5
  140   8   0   0 43.465  86.93    0.385    2.92    2       21.3        3.0
  141   3   3   2 43.546  87.092   0.385    2.91    4       38.4       19.4
  142   6   0   3 43.561  87.122   0.385    2.91    2       53.9       19.0
  143   7   1  -2 43.808  87.616   0.387    2.9     4       29.6       11.4
  144   4   0   4 43.93   87.859   0.388    2.89    2       21.5        3.0
  145   6   2  -2 44.4    88.8     0.391    2.86    4       55.8       40.1
  146   8   0  -1 44.508  89.015   0.392    2.85    2       49.6       15.8
  147   6   1  -3 44.542  89.085   0.392    2.85    4       14.3        2.6
  148   7   1   2 44.612  89.223   0.393    2.85    4       45.3       26.3
  149   0   2   4 44.748  89.496   0.394    2.84    4       77.2       76.3
  150   8   0   1 44.967  89.933   0.395    2.83    2       25.2        4.0


  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   0   0   1   8.566  17.133  6.00485      516.2     34.3     34.6     5.6
    2   2   0   0   9.903  19.806  5.20101       69.5      4.6      4.6     5.6
    3   1   1   0  11.903  23.806  4.33661      151.0     10.0     10.1     5.6
    4   2   0  -1  13.021  26.042  3.96997      793.8     52.7     52.8     5.6
    5   2   0   1  13.28   26.56   3.89389       56.8      3.8      3.8     5.6
    6   0   1   1  13.854  27.708  3.73548       65.7      4.4      4.4     5.6
    7   1   1  -1  14.681  29.362  3.52934     1506.8    100.0    100.0     5.6
    8   2   1   0  14.739  29.477  3.51581      104.7      7.0      7.0     5.6
    9   1   1   1  14.798  29.595  3.50214       28.7      1.9      1.9     5.6
   10   2   1  -1  17.044  34.088  3.05166       22.6      1.5      1.5     5.7
   11   2   1   1  17.248  34.495  3.0167        46.3      3.1      3.1     5.7
   12   0   0   2  17.332  34.665  3.00243      417.1     27.7     27.6     5.7
   13   3   1   0  18.596  37.192  2.80485      962.7     63.9     63.5     5.7
   14   2   0  -2  19.942  39.884  2.62255      175.1     11.6     11.5     5.7
   15   4   0   0  20.118  40.236  2.6005        56.7      3.8      3.7     5.7
   16   2   0   2  20.297  40.594  2.57853       75.8      5.0      5.0     5.7
   17   3   1  -1  20.477  40.954  2.55684      232.4     15.4     15.3     5.7
   18   3   1   1  20.738  41.476  2.52602     1009.0     67.0     66.2     5.7
   19   1   1  -2  21.159  42.318  2.478        350.2     23.2     23.0     5.7
   20   1   1   2  21.329  42.658  2.45917      632.2     42.0     41.4     5.7
   21   4   0  -1  21.848  43.696  2.40353      199.7     13.3     13.1     5.7
   22   0   2   0  22.022  44.043  2.3855       164.4     10.9     10.8     5.7
   23   4   0   1  22.178  44.356  2.36951       55.9      3.7      3.7     5.7
   24   1   2   0  22.625  45.249  2.32514      146.8      9.7      9.6     5.7
   25   2   1  -2  22.904  45.809  2.29822       46.3      3.1      3.0     5.7
   26   4   1   0  23.062  46.125  2.28334      169.1     11.2     11.0     5.7
   27   2   1   2  23.223  46.446  2.26843       67.9      4.5      4.4     5.7
   28   0   2   1  23.795  47.589  2.21697       25.7      1.7      1.7     5.7
   29   1   2  -1  24.325  48.65   2.17147       83.6      5.5      5.4     5.7
   30   2   2   0  24.363  48.726  2.1683        25.0      1.7      1.6     5.7
   31   1   2   1  24.402  48.803  2.16509       44.9      3.0      2.9     5.7
   32   2   2   1  26.086  52.173  2.03413      179.1     11.9     11.6     5.8
   33   0   0   3  26.543  53.086  2.00162       57.7      3.8      3.7     5.8
   34   0   2   2  28.614  57.227  1.86774       82.7      5.5      5.3     5.8
   35   5   1  -1  29.313  58.626  1.82701      252.0     16.7     16.2     5.8
   36   1   1   3  29.584  59.168  1.81176      239.5     15.9     15.4     5.8
   37   2   2  -2  30.456  60.911  1.76467      378.6     25.1     24.3     5.8
   38   4   2   0  30.585  61.171  1.75791      168.4     11.2     10.8     5.8
   39   2   2   2  30.718  61.435  1.75107      297.7     19.8     19.1     5.8
   40   2   1  -3  30.749  61.499  1.74944       59.7      4.0      3.8     5.8
   41   4   2  -1  31.89   63.779  1.69314      263.2     17.5     16.8     5.9
   42   4   2   1  32.145  64.29   1.68112       20.8      1.4      1.3     5.9
   43   6   0  -1  32.29   64.58   1.67438       58.7      3.9      3.7     5.9
   44   6   0   1  32.67   65.34   1.65703      225.6     15.0     14.3     5.9
   45   3   1  -3  33.016  66.031  1.64161      327.1     21.7     20.8     5.9
   46   5   1  -2  33.445  66.889  1.62295       54.9      3.6      3.5     5.9
   47   3   1   3  33.578  67.157  1.61725       22.5      1.5      1.4     5.9
   48   5   1   2  34.066  68.131  1.59684       91.6      6.1      5.8     5.9
   49   4   0   3  34.696  69.391  1.57139      186.9     12.4     11.8     5.9
   50   0   2   3  35.686  71.371  1.53335       33.9      2.3      2.1     5.9
   51   1   3  -1  35.995  71.991  1.52191      155.3     10.3      9.8     5.9
   52   2   3   0  36.025  72.05   1.52082       38.9      2.6      2.4     5.9
   53   6   0  -2  36.207  72.414  1.51423      107.3      7.1      6.7     5.9
   54   5   2   1  36.279  72.559  1.51162       16.8      1.1      1.1     6.0
   55   0   0   4  36.571  73.143  1.50121      211.6     14.0     13.3     6.0
   56   6   0   2  36.927  73.853  1.48881       94.0      6.2      5.9     6.0
   57   2   3  -1  37.293  74.585  1.47629       28.7      1.9      1.8     6.0
   58   3   3   0  38.227  76.453  1.44554       57.4      3.8      3.6     6.0
   59   7   1   0  39.083  78.166  1.41878      152.0     10.1      9.4     6.0
   60   1   1   4  39.205  78.411  1.41506       25.6      1.7      1.6     6.0
   61   3   3  -1  39.44   78.88   1.408         21.3      1.4      1.3     6.0
   62   3   3   1  39.615  79.231  1.40279      148.1      9.8      9.2     6.0
   63   1   3  -2  39.901  79.802  1.3944        21.5      1.4      1.3     6.0
   64   1   3   2  40.018  80.036  1.39102       62.1      4.1      3.8     6.0
   65   7   1  -1  40.173  80.345  1.38656       29.5      2.0      1.8     6.0
   66   5   1   3  40.814  81.628  1.3685        23.3      1.5      1.4     6.1
   67   6   2   1  41.09   82.181  1.36092       97.4      6.5      6.0     6.1
   68   2   3  -2  41.13   82.26   1.35984       46.7      3.1      2.9     6.1
   69   2   3   2  41.361  82.723  1.35359       53.0      3.5      3.3     6.1
   70   3   1  -4  42.17   84.341  1.33236       39.1      2.6      2.4     6.1
   71   4   3  -1  42.408  84.816  1.32629       42.7      2.8      2.6     6.1
   72   6   0  -3  42.526  85.051  1.32332      126.7      8.4      7.7     6.1
   73   4   3   1  42.638  85.277  1.32049       21.1      1.4      1.3     6.1
   74   3   1   4  42.862  85.723  1.31494       85.5      5.7      5.2     6.1
   75   4   2   3  42.97   85.94   1.31227       99.8      6.6      6.1     6.1
   76   4   0  -4  43.01   86.021  1.31127       16.3      1.1      1.0     6.1
   77   3   3   2  43.546  87.092  1.29832       38.4      2.6      2.3     6.1
   78   6   2  -2  44.4    88.8    1.27842       40.1      2.7      2.4     6.2
   79   8   0  -1  44.508  89.015  1.27597       15.8      1.0      1.0     6.2
   80   7   1   2  44.612  89.223  1.27362       26.3      1.7      1.6     6.2
   81   0   2   4  44.748  89.496  1.27056       76.3      5.1      4.6     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)