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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WOLFRAMITE

4, Cu-analogue

CuWO(4)


Triclinic  P 1(-)  Z = 2

R =0.029          NR =998

25 .5 .1993

Ref.Str.:

         Kihlborg L.,Gebert E., (1970)

         * Acta Cryst., B26, 1020-1026

Reserv:

         T.V.Ush.

                   Initial data from BDM-file 

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

             a =   4.7026   alpha =   91.68
             b =   5.8389   beta  =   92.47
             c =   4.8784   gamma =   82.81

    Unit cell volume (cub. angs.) =   132.73

    Molar volume ( cub.cm/mol.) =    39.98

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

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

   1 0.4953  0.6598  0.2448   0.0    Cu    = 1.00
   2 0.0211  0.1735  0.2543   0.0    W     = 1.00
   3 0.2491  0.3535  0.4245   0.0    O     = 1.00
   4 0.2145  0.8812  0.4309   0.0    O     = 1.00
   5 0.7353  0.3803  0.0981   0.0    O     = 1.00
   6 0.7826  0.9079  0.0533   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.4953     0.6598     0.2448
     2       2     0.0211     0.1735     0.2543
     3       3     0.2491     0.3535     0.4245
     4       4     0.2145     0.8812     0.4309
     5       5     0.7353     0.3803     0.0981
     6       6     0.7826     0.9079     0.0533
     7       1     0.5047     0.3402     0.7552
     8       2     0.9789     0.8265     0.7457
     9       3     0.7509     0.6465     0.5755
    10       4     0.7855     0.1188     0.5691
    11       5     0.2647     0.6197     0.9019
    12       6     0.2174     0.0921     0.9467


X-ray density (g/cm cub.)   =      7.79

MU (1/cm) =     893.434    Mass attenuation coefficient (cm**2/g) =    114.71 

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

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

    1    Cu                  2.808        6
                                                 2.4505       3
                                                 1.9613       4
                                                 1.9971       5
                                                 2.3399       6
                                                 1.9672       3
                                                 1.9783       5
    2    W                   2.448        6
                                                 1.7604       3
                                                 2.0278       4
                                                 1.845        5
                                                 2.208        6
                                                 1.9878       4
                                                 1.8159       6
    3    O                   3.264       12
                                                 3.0644       4
                                                 2.7839       4
                                                 2.8645       5
                                                 2.826        5
                                                 3.1346       3
                                                 2.8336       3
                                                 2.7885       4
                                                 2.8401       4
                                                 2.7654       5
                                                 3.0328       5
                                                 3.0264       6
                                                 2.7575       6
    4    O                   3.264       11
                                                 2.7839       3
                                                 3.0644       3
                                                 2.6754       6
                                                 2.7885       3
                                                 2.8401       3
                                                 3.2112       4
                                                 2.4105       4
                                                 2.7812       5
                                                 2.9629       5
                                                 2.7691       6
                                                 2.6969       6
    5    O                   3.264       12
                                                 2.826        3
                                                 2.8645       3
                                                 3.1309       6
                                                 2.7424       6
                                                 2.7654       3
                                                 3.0328       3
                                                 2.7812       4
                                                 2.9629       4
                                                 3.1974       5
                                                 2.6246       5
                                                 2.7628       6
                                                 3.1793       6
    6    O                   3.264       11
                                                 2.6754       4
                                                 2.7424       5
                                                 3.1309       5
                                                 3.0264       3
                                                 2.7575       3
                                                 2.7691       4
                                                 2.6969       4
                                                 2.7628       5
                                                 3.1793       5
                                                 2.5066       6
                                                 2.773        6

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

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

    1   0   1   0  7.643  15.287   0.086  110.1     2       35.6     1580.2
    2   0   0   1  9.096  18.192   0.103   77.1     2        2.3        4.6
    3   1   0   0  9.511  19.021   0.107   70.33    2       79.5     5040.9
    4   1   1   0 11.469  22.938   0.129   47.7     2       75.8     3109.6
    5   0  -1   1 11.779  23.558   0.133   45.11    2       69.5     2472.2
    6   0   1   1 12.066  24.132   0.136   42.89    2       72.1     2532.9
    7  -1   0   1 12.949  25.899   0.145   36.97    2       11.0       50.7
    8  -1   1   0 12.98   25.96    0.146   36.79    2       99.8     4162.2
    9   1   0   1 13.484  26.968   0.151   33.94    2       22.8      200.9
   10  -1  -1   1 14.351  28.703   0.161   29.73    2      154.8     8084.2
   11   1   1   1 15.072  30.144   0.169   26.77    2      148.1     6661.1
   12   0   2   0 15.427  30.855   0.173   25.46    2       83.7     2027.4
   13  -1   1   1 15.826  31.653   0.177   24.1     2      134.3     4935.6
   14   1  -1   1 16.057  32.114   0.18    23.36    2      129.9     4472.7
   15   1   2   0 17.17   34.341   0.192   20.2     2       56.9      741.5
   16   0  -2   1 17.828  35.655   0.199   18.61    2      123.2     3206.3
   17   0   2   1 18.222  36.444   0.203   17.73    2      107.0     2304.7
   18   0   0   2 18.432  36.864   0.205   17.29    2      132.2     3429.7
   19  -1  -2   1 19.19   38.379   0.213   15.82    2        1.9        0.7
   20  -1   2   0 19.276  38.552   0.214   15.67    2       29.7      157.3
   21   2   0   0 19.297  38.593   0.215   15.63    2      111.7     2211.7
   22   0  -1   2 19.88   39.76    0.221   14.63    2       26.5      116.5
   23   2   1   0 19.911  39.822   0.221   14.58    2        4.9        4.0
   24   1   2   1 19.935  39.869   0.221   14.54    2       68.2      767.6
   25   0   1   2 20.24   40.48    0.225   14.06    2       14.6       34.2
   26  -1   0   2 20.541  41.082   0.228   13.6     2       92.8     1330.4
   27  -2   0   1 21.138  42.276   0.234   12.76    2       26.3      100.5
   28   1   0   2 21.255  42.51    0.235   12.6     2       26.9      103.4
   29  -1  -1   2 21.416  42.832   0.237   12.39    2       63.6      568.8
   30  -1   2   1 21.466  42.932   0.238   12.32    2       20.2       56.9
   31   1  -2   1 21.475  42.949   0.238   12.31    2       94.0     1234.0
   32  -2  -1   1 21.624  43.249   0.239   12.12    2       56.7      443.0
   33  -2   1   0 21.791  43.582   0.241   11.92    2       50.4      344.2
   34   2   0   1 21.836  43.672   0.241   11.86    2       27.9      105.1
   35   1   1   2 22.438  44.876   0.248   11.16    2       58.9      439.2
   36   2   1   1 22.475  44.95    0.248   11.11    2       71.7      648.1
   37  -1   1   2 22.649  45.298   0.25    10.92    2       75.2      701.6
   38   1  -1   2 22.99   45.98    0.254   10.56    2       82.0      805.7
   39   2   2   0 23.432  46.865   0.258   10.11    2       96.4     1066.6
   40   0   3   0 23.517  47.034   0.259   10.03    2       53.0      319.6
   41  -2   1   1 23.552  47.103   0.259   10.0     2       34.0      131.2
   42   2  -1   1 24.039  48.078   0.264    9.54    2       37.7      153.8
   43   0  -2   2 24.096  48.192   0.265    9.49    2       78.2      659.2
   44   1   3   0 24.361  48.723   0.268    9.26    2      143.2     2153.9
   45   0   2   2 24.713  49.426   0.271    8.96    2       80.9      666.3
   46  -2  -2   1 24.876  49.752   0.273    8.83    2      111.8     1253.6
   47  -1  -2   2 25.023  50.046   0.275    8.71    2       47.5      223.1
   48   0  -3   1 25.191  50.383   0.276    8.58    2       14.0       19.2
   49   0   3   1 25.641  51.281   0.281    8.24    2       23.9       53.3
   50   2   2   1 25.791  51.583   0.282    8.13    2      127.8     1507.2
   51  -1  -3   1 25.844  51.688   0.283    8.09    2       26.2       63.1
   52   1   2   2 26.229  52.457   0.287    7.83    2       59.8      317.9
   53   1   3   1 26.583  53.167   0.29     7.59    2       18.0       27.8
   54  -2   0   2 26.627  53.254   0.291    7.56    2      162.8     2276.3
   55  -2   2   0 26.693  53.387   0.292    7.52    2       58.2      289.2
   56  -1   3   0 26.772  53.543   0.292    7.47    2      145.8     1802.6
   57  -2  -1   2 26.965  53.931   0.294    7.35    2       14.2       16.8
   58  -1   2   2 27.193  54.387   0.297    7.21    2       30.9       78.0
   59   1  -2   2 27.208  54.416   0.297    7.2     2       21.3       37.1
   60   2   0   2 27.797  55.594   0.303    6.86    2      150.0     1751.5
   61  -2   2   1 28.293  56.586   0.308    6.59    2      142.1     1509.9
   62   0   0   3 28.312  56.623   0.308    6.58    2        2.7        0.5
   63   2   1   2 28.404  56.808   0.309    6.53    2       12.5       11.6
   64   1  -3   1 28.448  56.896   0.309    6.51    2       11.1        9.1
   65  -1   3   1 28.579  57.159   0.311    6.44    2        2.6        0.5
   66   2  -2   1 28.584  57.168   0.311    6.44    2      142.3     1479.4
   67  -2   1   2 28.76   57.52    0.312    6.35    2       46.5      155.8
   68   2   3   0 29.043  58.086   0.315    6.21    2       57.6      234.0
   69   0  -1   3 29.306  58.612   0.318    6.08    2       38.6      102.9
   70   2  -1   2 29.605  59.21    0.321    5.95    2       51.5      179.2
   71   0   1   3 29.712  59.424   0.322    5.9     2       58.3      227.7
   72   3   0   0 29.715  59.43    0.322    5.9     2       41.0      112.3
   73  -2  -2   2 29.718  59.436   0.322    5.9     2       85.7      492.2
   74  -1   0   3 29.735  59.469   0.322    5.89    2        0.5        0.0
   75   3   1   0 29.803  59.606   0.323    5.86    2       24.6       40.1
   76   0  -3   2 30.205  60.411   0.327    5.69    2       59.8      231.2
   77  -2  -3   1 30.23   60.46    0.327    5.68    2       47.2      143.3
   78  -1  -1   3 30.343  60.685   0.328    5.63    2      127.6     1040.6
   79   1   0   3 30.556  61.113   0.33     5.54    2       24.7       38.5
   80  -1  -3   2 30.65   61.3     0.331    5.5     2      124.1      962.4
   81  -3   0   1 30.948  61.897   0.334    5.39    2       38.7       91.4
   82  -3  -1   1 30.968  61.937   0.334    5.38    2      124.3      943.9
   83   0   3   2 31.0    62.0     0.334    5.37    2       52.3      166.8
   84   2   3   1 31.168  62.337   0.336    5.3     2       41.4      103.0
   85   2   2   2 31.336  62.673   0.338    5.24    2       87.6      457.0
   86  -1   1   3 31.447  62.895   0.339    5.2     2      120.2      852.4
   87   1   1   3 31.547  63.093   0.34     5.16    2      119.0      829.9
   88   3   0   1 31.752  63.503   0.342    5.09    2       41.7      100.7
   89   1  -1   3 31.857  63.713   0.343    5.06    2      106.6      651.9
   90   3   1   1 31.901  63.802   0.343    5.04    2      129.7      962.6
   91  -3   1   0 31.933  63.867   0.343    5.03    2       81.6      380.5
   92   1   3   2 31.97   63.94    0.344    5.02    2      131.0      977.5
   93   0   4   0 32.143  64.286   0.345    4.96    2       82.8      385.6
   94   3   2   0 32.185  64.371   0.346    4.94    2       67.3      254.5
   95   1   4   0 32.49   64.98    0.349    4.84    2        4.7        1.2
   96   0  -2   3 32.558  65.117   0.349    4.82    2      138.2     1045.9
   97  -2   2   2 33.055  66.11    0.354    4.67    2       49.6      130.3
   98  -3   1   1 33.182  66.365   0.355    4.63    2       97.4      499.1
   99  -1  -2   3 33.197  66.394   0.355    4.63    2       48.5      123.7
  100  -3  -2   1 33.24   66.48    0.356    4.61    2       38.9       79.2
  101   1  -3   2 33.269  66.539   0.356    4.6     2      136.3      971.0
  102  -2   3   0 33.284  66.567   0.356    4.6     2       56.6      167.4
  103   0   2   3 33.321  66.643   0.357    4.59    2      134.3      939.5
  104   0  -4   1 33.46   66.921   0.358    4.55    2      115.3      686.0
  105  -1   3   2 33.509  67.019   0.358    4.53    2      125.3      808.8
  106   2  -2   2 33.586  67.172   0.359    4.51    2       45.7      106.8
  107  -1  -4   1 33.672  67.343   0.36     4.49    2       61.5      192.7
  108   3  -1   1 33.832  67.663   0.361    4.44    2       95.7      461.8
  109   0   4   1 33.963  67.926   0.363    4.41    2      117.5      690.5
  110   3   2   1 34.264  68.528   0.365    4.33    2        6.1        1.8
  111   1   4   1 34.428  68.857   0.367    4.29    2       59.3      170.9
  112  -2  -3   2 34.528  69.055   0.368    4.26    2       44.2       94.4
  113  -2   0   3 34.553  69.105   0.368    4.25    2       15.1       11.0
  114   1   2   3 34.719  69.437   0.37     4.21    2       27.0       34.9
  115  -2   3   1 34.759  69.518   0.37     4.2     2        0.9        0.0
  116  -2  -1   3 34.782  69.563   0.37     4.2     2       61.2      178.7
  117   2  -3   1 34.895  69.79    0.371    4.17    2       18.1       15.5
  118  -1   4   0 35.195  70.389   0.374    4.1     2       12.0        6.7
  119  -3  -1   2 35.214  70.429   0.374    4.09    2       38.1       67.4
  120  -3   0   2 35.257  70.515   0.375    4.08    2       32.9       50.2
  121  -1   2   3 35.29   70.58    0.375    4.08    2       42.9       85.0
  122   1  -2   3 35.309  70.617   0.375    4.07    2       44.3       90.7
  123   2   0   3 36.066  72.132   0.382    3.91    2       23.5       24.5
  124   2   4   0 36.187  72.375   0.383    3.88    2       13.3        7.8
  125  -3   2   0 36.224  72.448   0.384    3.87    2        1.3        0.1
  126   2   3   2 36.273  72.546   0.384    3.86    2       41.2       74.4
  127  -2   1   3 36.47   72.94    0.386    3.82    2       38.4       63.9
  128   1  -4   1 36.583  73.166   0.387    3.8     2       43.2       80.3
  129   3   3   0 36.62   73.239   0.387    3.79    2      109.6      517.3
  130   2   1   3 36.655  73.31    0.388    3.79    2       58.3      146.0
  131   3   0   2 36.758  73.517   0.388    3.77    2       65.1      180.9
  132  -1   4   1 36.819  73.639   0.389    3.75    2       54.5      126.6
  133   3   1   2 36.958  73.916   0.39     3.73    2       28.7       34.8
  134  -2  -2   3 37.14   74.28    0.392    3.69    2       76.6      246.0
  135  -2  -4   1 37.191  74.382   0.392    3.68    2      118.1      583.7
  136  -3  -2   2 37.298  74.596   0.393    3.67    2       52.0      112.3
  137  -3   1   2 37.424  74.847   0.394    3.64    2       91.3      344.7
  138  -3   2   1 37.465  74.93    0.395    3.64    2       72.4      216.2
  139  -3  -3   1 37.556  75.112   0.396    3.62    2       29.4       35.4
  140   2  -1   3 37.593  75.186   0.396    3.61    2       29.3       35.3
  141   0  -4   2 37.757  75.513   0.397    3.58    2       38.2       59.4
  142   0  -3   3 37.763  75.526   0.398    3.58    2        0.9        0.0
  143  -1  -4   2 37.835  75.67    0.398    3.57    2       11.3        5.2
  144   3  -2   1 37.963  75.926   0.399    3.55    2       34.5       48.0
  145  -1  -3   3 38.041  76.082   0.4      3.54    2        4.8        0.9
  146   2   4   1 38.163  76.326   0.401    3.52    2      109.3      477.0
  147   3   3   1 38.65   77.299   0.405    3.44    2       34.1       45.4
  148   3  -1   2 38.655  77.311   0.405    3.44    2       87.3      297.3
  149   0   4   2 38.712  77.423   0.406    3.43    2       43.5       73.8
  150   0   3   3 38.837  77.674   0.407    3.41    2       24.5       23.3
  151  -2   3   2 39.167  78.335   0.41     3.37    2       52.9      107.1
  152   0   0   4 39.224  78.448   0.41     3.36    2      114.2      497.3
  153   3   2   2 39.244  78.487   0.411    3.35    2       64.0      155.9
  154   1   4   2 39.275  78.551   0.411    3.35    2       33.8       43.4
  155   2   2   3 39.325  78.65    0.411    3.34    2       60.3      138.2
  156   2  -3   2 39.428  78.856   0.412    3.33    2       42.4       68.0
  157   1   3   3 39.84   79.679   0.416    3.28    2       21.0       16.5
  158   0  -1   4 40.02   80.039   0.417    3.25    2       35.6       46.7
  159  -1   0   4 40.331  80.662   0.42     3.21    2       29.1       30.8
  160  -2   2   3 40.416  80.833   0.421    3.2     2       89.5      291.2
  161   0   1   4 40.49   80.98    0.421    3.2     2       13.8        6.9
  162   1  -3   3 40.683  81.365   0.423    3.17    2        3.5        0.4
  163  -1  -1   4 40.805  81.611   0.424    3.16    2       46.8       78.5
  164   1  -4   2 40.872  81.744   0.425    3.15    2       10.1        3.6
  165  -1   3   3 41.017  82.034   0.426    3.14    2        7.3        1.9
  166  -2  -4   2 41.101  82.203   0.427    3.13    2       50.5       90.7
  167   4   1   0 41.131  82.262   0.427    3.12    2       26.9       25.6
  168   2  -2   3 41.156  82.311   0.427    3.12    2       88.3      276.1
  169   1   0   4 41.293  82.586   0.428    3.11    2       66.4      155.4
  170  -2   4   0 41.318  82.636   0.429    3.1     2       48.8       84.0
  171  -1   4   2 41.329  82.658   0.429    3.1     2       30.6       33.1
  172   4   0   0 41.37   82.74    0.429    3.1     2      124.8      547.6
  173  -3  -3   2 41.395  82.79    0.429    3.1     2      117.8      487.5
  174  -2  -3   3 41.498  82.997   0.43     3.09    2       30.0       31.6
  175  -3   2   2 41.599  83.197   0.431    3.08    2        8.9        2.8
  176   0   5   0 41.685  83.371   0.432    3.07    2       40.2       56.3
  177   1   5   0 41.686  83.372   0.432    3.07    2       68.2      161.8
  178  -1   1   4 41.904  83.808   0.434    3.05    2       61.4      130.6
  179  -4  -1   1 42.035  84.071   0.435    3.04    2       64.3      142.3
  180  -3  -1   3 42.144  84.287   0.436    3.03    2      104.2      373.0
  181   1   1   4 42.232  84.464   0.436    3.02    2       42.2       61.0
  182  -3   0   3 42.243  84.485   0.436    3.02    2       27.1       25.2
  183  -4   0   1 42.332  84.664   0.437    3.01    2       34.6       40.9
  184  -3   3   0 42.363  84.726   0.437    3.01    2      109.1      406.2
  185   1  -1   4 42.394  84.788   0.438    3.0     2       73.0      181.8
  186   3  -2   2 42.567  85.134   0.439    2.99    2        9.3        2.9
  187  -1  -5   1 42.714  85.428   0.44     2.98    2       95.7      309.2
  188  -2   4   1 42.752  85.504   0.441    2.97    2       93.7      296.5
  189   2  -4   1 42.764  85.527   0.441    2.97    2       91.1      280.3
  190   0  -5   1 42.832  85.665   0.441    2.97    2       30.8       31.9
  191   0  -2   4 42.851  85.703   0.441    2.97    2       55.0      101.7
  192   3   4   0 42.894  85.788   0.442    2.96    2       38.1       48.8
  193   4   2   0 42.931  85.862   0.442    2.96    2       86.8      253.4
  194   2   4   2 42.992  85.984   0.443    2.95    2       30.7       31.5
  195   4   1   1 43.107  86.214   0.444    2.95    2       52.1       90.9
  196   4   0   1 43.286  86.573   0.445    2.93    2       36.4       44.2
  197  -1  -2   4 43.315  86.631   0.445    2.93    2       30.8       31.5
  198   0   5   1 43.414  86.828   0.446    2.92    2       31.4       32.7
  199   3   3   2 43.528  87.055   0.447    2.92    2       97.8      316.6
  200   1   5   1 43.534  87.068   0.447    2.92    2       79.3      208.0
  201  -3   3   1 43.615  87.23    0.448    2.91    2       26.8       23.7
  202  -4   1   0 43.643  87.287   0.448    2.91    2       51.7       88.1
  203  -3  -4   1 43.739  87.477   0.449    2.9     2       55.8      102.6
  204  -4  -2   1 43.772  87.545   0.449    2.9     2       68.6      154.8
  205   0   2   4 43.781  87.563   0.449    2.9     2       64.7      137.9
  206   2   3   3 43.979  87.958   0.451    2.89    2       47.9       75.1
  207   3  -3   1 43.981  87.962   0.451    2.89    2       23.5       18.0
  208  -3  -2   3 44.077  88.154   0.452    2.88    2        8.9        2.6
  209  -3   1   3 44.372  88.745   0.454    2.86    2       76.7      191.2
  210   3   0   3 44.388  88.776   0.454    2.86    2       42.6       59.1
  211  -2   0   4 44.568  89.137   0.456    2.85    2      114.2      422.3
  212   3   1   3 44.638  89.276   0.456    2.85    2      102.2      337.8
  213  -4   1   1 44.658  89.316   0.456    2.85    2       21.3       14.6
  214  -1  -4   3 44.718  89.436   0.457    2.84    2       45.2       66.0
  215  -2  -1   4 44.724  89.449   0.457    2.84    2        2.6        0.2
  216   0  -4   3 44.761  89.522   0.457    2.84    2       99.7      320.3
  217  -1   5   0 44.82   89.64    0.458    2.84    2       56.0      101.0
  218   2   5   0 44.823  89.646   0.458    2.84    2       61.8      122.8
  219   3   4   1 44.917  89.834   0.458    2.83    2       55.5       99.0
  220   4   2   1 44.957  89.913   0.459    2.83    2       48.0       73.9


  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   0   1   0   7.643  15.287  5.79124     1580.2     19.5     19.7     5.6
    2   1   0   0   9.511  19.021  4.66188     5040.9     62.4     62.8     5.6
    3   1   1   0  11.469  22.938  3.87399     3109.6     38.5     38.6     5.6
    4   0  -1   1  11.779  23.558  3.77342     2472.2     30.6     30.7     5.6
    5   0   1   1  12.066  24.132  3.68493     2532.9     31.3     31.4     5.6
    6  -1   1   0  12.98   25.96   3.42944     4162.2     51.5     51.6     5.6
    7   1   0   1  13.484  26.968  3.30349      200.9      2.5      2.5     5.6
    8  -1  -1   1  14.351  28.703  3.10764     8084.2    100.0    100.0     5.6
    9   1   1   1  15.072  30.144  2.96227     6661.1     82.4     82.3     5.6
   10   0   2   0  15.427  30.855  2.89562     2027.4     25.1     25.0     5.6
   11  -1   1   1  15.826  31.653  2.82441     4935.6     61.1     60.9     5.6
   12   1  -1   1  16.057  32.114  2.78487     4472.7     55.3     55.2     5.6
   13   1   2   0  17.17   34.341  2.60923      741.5      9.2      9.1     5.7
   14   0  -2   1  17.828  35.655  2.51598     3206.3     39.7     39.4     5.7
   15   0   2   1  18.222  36.444  2.46331     2304.7     28.5     28.3     5.7
   16   0   0   2  18.432  36.864  2.43623     3429.7     42.4     42.1     5.7
   17   2   0   0  19.297  38.593  2.33094     2369.1     29.3     29.0     5.7
   18   0  -1   2  19.88   39.76   2.2652       116.5      1.4      1.4     5.7
   19   1   2   1  19.935  39.869  2.25924      771.6      9.5      9.4     5.7
   20  -1   0   2  20.541  41.082  2.19529     1330.4     16.5     16.3     5.7
   21  -2   0   1  21.138  42.276  2.13602      100.5      1.2      1.2     5.7
   22   1   0   2  21.255  42.51   2.12479      103.4      1.3      1.3     5.7
   23  -1  -1   2  21.416  42.832  2.10957      568.8      7.0      6.9     5.7
   24   1  -2   1  21.475  42.949  2.10407     1290.8     16.0     15.8     5.7
   25  -2  -1   1  21.624  43.249  2.0902       443.0      5.5      5.4     5.7
   26  -2   1   0  21.791  43.582  2.07497      344.2      4.3      4.2     5.7
   27   2   0   1  21.836  43.672  2.07092      105.1      1.3      1.3     5.7
   28   1   1   2  22.438  44.876  2.01812      439.2      5.4      5.4     5.7
   29   2   1   1  22.475  44.95   2.01497      648.1      8.0      7.9     5.7
   30  -1   1   2  22.649  45.298  2.00029      701.6      8.7      8.5     5.7
   31   1  -1   2  22.99   45.98   1.9722       805.7     10.0      9.8     5.7
   32   2   2   0  23.432  46.865  1.937       1066.6     13.2     13.0     5.7
   33   0   3   0  23.517  47.034  1.93041      319.6      4.0      3.9     5.7
   34  -2   1   1  23.552  47.103  1.92775      131.2      1.6      1.6     5.7
   35   2  -1   1  24.039  48.078  1.89092      153.8      1.9      1.9     5.7
   36   0  -2   2  24.096  48.192  1.88671      659.2      8.2      8.0     5.7
   37   1   3   0  24.361  48.723  1.86738     2153.9     26.6     26.1     5.7
   38   0   2   2  24.713  49.426  1.84246      666.3      8.2      8.1     5.7
   39  -2  -2   1  24.876  49.752  1.83113     1253.6     15.5     15.2     5.7
   40  -1  -2   2  25.023  50.046  1.82106      223.1      2.8      2.7     5.7
   41   2   2   1  25.791  51.583  1.77037     1507.2     18.6     18.2     5.8
   42   1   2   2  26.229  52.457  1.7429       317.9      3.9      3.8     5.8
   43  -2   0   2  26.627  53.254  1.71868     2276.3     28.2     27.5     5.8
   44  -2   2   0  26.693  53.387  1.71472      289.2      3.6      3.5     5.8
   45  -1   3   0  26.772  53.543  1.71008     1802.6     22.3     21.7     5.8
   46  -1   2   2  27.193  54.387  1.68553      115.1      1.4      1.4     5.8
   47   2   0   2  27.797  55.594  1.65174     1751.5     21.7     21.1     5.8
   48  -2   2   1  28.293  56.586  1.62512     1510.4     18.7     18.1     5.8
   49   2  -2   1  28.584  57.168  1.60995     1479.4     18.3     17.8     5.8
   50  -2   1   2  28.76   57.52   1.60095      155.8      1.9      1.9     5.8
   51   2   3   0  29.043  58.086  1.58667      234.0      2.9      2.8     5.8
   52   0  -1   3  29.306  58.612  1.5737       102.9      1.3      1.2     5.8
   53   2  -1   2  29.605  59.21   1.55921      179.2      2.2      2.1     5.8
   54  -2  -2   2  29.718  59.436  1.55382      832.1     10.3     10.0     5.8
   55   0  -3   2  30.205  60.411  1.53106      374.4      4.6      4.5     5.8
   56  -1  -1   3  30.343  60.685  1.5248      1040.6     12.9     12.4     5.8
   57  -1  -3   2  30.65   61.3    1.51097      962.4     11.9     11.5     5.8
   58  -3  -1   1  30.968  61.937  1.49695     1035.3     12.8     12.3     5.8
   59   0   3   2  31.0    62.0    1.49558      166.8      2.1      2.0     5.8
   60   2   3   1  31.168  62.337  1.48831      103.0      1.3      1.2     5.8
   61   2   2   2  31.336  62.673  1.48114      457.0      5.7      5.4     5.8
   62  -1   1   3  31.447  62.895  1.47644      852.4     10.5     10.1     5.9
   63   1   1   3  31.547  63.093  1.47227      829.9     10.3      9.9     5.9
   64   3   0   1  31.752  63.503  1.46375      100.7      1.2      1.2     5.9
   65   1  -1   3  31.857  63.713  1.45943      651.9      8.1      7.7     5.9
   66   3   1   1  31.901  63.802  1.45762      962.6     11.9     11.4     5.9
   67  -3   1   0  31.933  63.867  1.45629      380.5      4.7      4.5     5.9
   68   1   3   2  31.97   63.94   1.45479      977.5     12.1     11.6     5.9
   69   0   4   0  32.143  64.286  1.44781      385.6      4.8      4.6     5.9
   70   3   2   0  32.185  64.371  1.4461       254.5      3.1      3.0     5.9
   71   0  -2   3  32.558  65.117  1.43132     1045.9     12.9     12.4     5.9
   72  -2   2   2  33.055  66.11   1.41221      130.3      1.6      1.5     5.9
   73  -3   1   1  33.182  66.365  1.4074       622.8      7.7      7.4     5.9
   74   1  -3   2  33.269  66.539  1.40414     1217.6     15.1     14.4     5.9
   75   0   2   3  33.321  66.643  1.40221      939.5     11.6     11.1     5.9
   76   0  -4   1  33.46   66.921  1.39705      686.0      8.5      8.1     5.9
   77  -1   3   2  33.509  67.019  1.39525      808.8     10.0      9.6     5.9
   78   2  -2   2  33.586  67.172  1.39244      106.8      1.3      1.3     5.9
   79  -1  -4   1  33.672  67.343  1.38931      192.7      2.4      2.3     5.9
   80   3  -1   1  33.832  67.663  1.38352      461.8      5.7      5.5     5.9
   81   0   4   1  33.963  67.926  1.3788       690.5      8.5      8.1     5.9
   82   1   4   1  34.428  68.857  1.36242      170.9      2.1      2.0     5.9
   83  -2  -3   2  34.528  69.055  1.35899      105.4      1.3      1.2     5.9
   84  -2  -1   3  34.782  69.563  1.3503       178.7      2.2      2.1     5.9
   85   1  -2   3  35.309  70.617  1.33271      175.7      2.2      2.1     5.9
   86   3   3   0  36.62   73.239  1.29133      517.3      6.4      6.0     6.0
   87   2   1   3  36.655  73.31   1.29026      146.0      1.8      1.7     6.0
   88   3   0   2  36.758  73.517  1.28714      180.9      2.2      2.1     6.0
   89  -1   4   1  36.819  73.639  1.28531      126.6      1.6      1.5     6.0
   90  -2  -2   3  37.14   74.28   1.27579      246.0      3.0      2.9     6.0
   91  -2  -4   1  37.191  74.382  1.27429      583.7      7.2      6.8     6.0
   92  -3  -2   2  37.298  74.596  1.27117      112.3      1.4      1.3     6.0
   93  -3   1   2  37.424  74.847  1.26752      344.7      4.3      4.0     6.0
   94  -3   2   1  37.465  74.93   1.26633      216.2      2.7      2.5     6.0
   95   2   4   1  38.163  76.326  1.24661      477.0      5.9      5.5     6.0
   96   3  -1   2  38.655  77.311  1.23317      342.7      4.2      4.0     6.0
   97  -2   3   2  39.167  78.335  1.21959      107.1      1.3      1.2     6.0
   98   0   0   4  39.224  78.448  1.21811      653.2      8.1      7.6     6.0
   99   2   2   3  39.325  78.65   1.21549      138.2      1.7      1.6     6.0
  100  -2   2   3  40.416  80.833  1.18808      291.2      3.6      3.3     6.1
  101  -2  -4   2  41.101  82.203  1.17172      116.3      1.4      1.3     6.1
  102   2  -2   3  41.156  82.311  1.17045      276.1      3.4      3.2     6.1
  103   1   0   4  41.293  82.586  1.16725      239.4      3.0      2.7     6.1
  104   4   0   0  41.37   82.74   1.16547     1035.1     12.8     11.8     6.1
  105   1   5   0  41.686  83.372  1.15823      218.1      2.7      2.5     6.1
  106  -1   1   4  41.904  83.808  1.15332      130.6      1.6      1.5     6.1
  107  -4  -1   1  42.035  84.071  1.15038      142.3      1.8      1.6     6.1
  108  -3  -1   3  42.144  84.287  1.14797      373.0      4.6      4.3     6.1
  109   1   1   4  42.232  84.464  1.14602       86.2      1.1      1.0     6.1
  110  -3   3   0  42.363  84.726  1.14315      406.2      5.0      4.6     6.1
  111   1  -1   4  42.394  84.788  1.14247      181.8      2.2      2.1     6.1
  112  -1  -5   1  42.714  85.428  1.13554      309.2      3.8      3.5     6.1
  113  -2   4   1  42.752  85.504  1.13472      576.7      7.1      6.6     6.1
  114   0  -2   4  42.851  85.703  1.1326       133.7      1.7      1.5     6.1
  115   4   2   0  42.931  85.862  1.13091      253.4      3.1      2.9     6.1
  116   4   1   1  43.107  86.214  1.12719       90.9      1.1      1.0     6.1
  117   3   3   2  43.528  87.055  1.11845      524.6      6.5      5.9     6.1
  118  -4   1   0  43.643  87.287  1.11608      111.8      1.4      1.3     6.2
  119  -3  -4   1  43.739  87.477  1.11414      102.6      1.3      1.2     6.2
  120  -4  -2   1  43.772  87.545  1.11345      292.7      3.6      3.3     6.2
  121   2   3   3  43.979  87.958  1.10929       93.1      1.2      1.1     6.2
  122  -3   1   3  44.372  88.745  1.10147      250.3      3.1      2.8     6.2
  123  -2   0   4  44.568  89.137  1.09764      422.3      5.2      4.8     6.2
  124   3   1   3  44.638  89.276  1.09629      352.3      4.4      4.0     6.2
  125   0  -4   3  44.761  89.522  1.09391      320.3      4.0      3.6     6.2
  126   2   5   0  44.823  89.646  1.09272      223.8      2.8      2.5     6.2
  127   3   4   1  44.917  89.834  1.09092       99.0      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)