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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BLOSSITE

1, alpha, syn, f-ziesite

Cu(2)V(2)O(7)


Orthorhombic  F dd2  Z = 8

R =0.028          NR =488

19 .1 .1994

Ref.Str.:

         Calvo C., Faggiani R. (1975)

         * Acta Cryst., B31, 603-605

Reserv:

         See U(ij) in the original.   N.A.D.

                   Initial data from BDM-file 

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

             a =  20.645    alpha =   90.0 
             b =   8.383    beta  =   90.0 
             c =   6.442    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1114.9 

    Molar volume ( cub.cm/mol.) =    83.94

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

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

   1 0.1658  0.3646  0.75     0.0    Cu    = 1.00
   2 0.1991  0.4054  0.2343   0.0    V     = 1.00
   3 0.2453  0.5622  0.2774   0.0    O     = 1.00
   4 0.1446  0.4368  0.0332   0.0    O     = 1.00
   5 0.1619  0.3477  0.4592   0.0    O     = 1.00
   6 0.25    0.25    0.1592   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1658     0.3646     0.75  
     2       2     0.1991     0.4054     0.2343
     3       3     0.2453     0.5622     0.2774
     4       4     0.1446     0.4368     0.0332
     5       5     0.1619     0.3477     0.4592
     6       6     0.25       0.25       0.1592
     7       1     0.8342     0.6354     0.75  
     8       2     0.8009     0.5946     0.2343
     9       3     0.7547     0.4378     0.2774
    10       4     0.8554     0.5632     0.0332
    11       5     0.8381     0.6523     0.4592
    12       6     0.75       0.75       0.1592
    13       1     0.0842     0.6146     0.0   
    14       2     0.0509     0.6554     0.4843
    15       3     0.0047     0.8122     0.5274
    16       4     0.1054     0.6868     0.2832
    17       5     0.0881     0.5977     0.7092
    18       6     0.0        0.5        0.4092
    19       1     0.4158     0.8854     0.0   
    20       2     0.4491     0.8446     0.4843
    21       3     0.4953     0.6878     0.5274
    22       4     0.3946     0.8132     0.2832
    23       5     0.4119     0.9023     0.7092
    24       6     0.5        0.0        0.4092
    25       1     0.3342     0.1354     0.75  
    26       2     0.3009     0.0946     0.2343
    27       3     0.2547     0.9378     0.2774
    28       4     0.3554     0.0632     0.0332
    29       5     0.3381     0.1523     0.4592
    30       1     0.6658     0.8646     0.75  
    31       2     0.6991     0.9054     0.2343
    32       3     0.7453     0.0622     0.2774
    33       4     0.6446     0.9368     0.0332
    34       5     0.6619     0.8477     0.4592
    35       1     0.3342     0.6354     0.25  
    36       2     0.3009     0.5946     0.7343
    37       3     0.2547     0.4378     0.7774
    38       4     0.3554     0.5632     0.5332
    39       5     0.3381     0.6523     0.9592
    40       6     0.25       0.75       0.6592
    41       1     0.6658     0.3646     0.25  
    42       2     0.6991     0.4054     0.7343
    43       3     0.7453     0.5622     0.7774
    44       4     0.6446     0.4368     0.5332
    45       5     0.6619     0.3477     0.9592
    46       6     0.75       0.25       0.6592
    47       1     0.4158     0.3854     0.5   
    48       2     0.4491     0.3446     0.9843
    49       3     0.4953     0.1878     0.0274
    50       4     0.3946     0.3132     0.7832
    51       5     0.4119     0.4023     0.2092
    52       6     0.5        0.5        0.9092
    53       1     0.0842     0.1146     0.5   
    54       2     0.0509     0.1554     0.9843
    55       3     0.0047     0.3122     0.0274
    56       4     0.1054     0.1868     0.7832
    57       5     0.0881     0.0977     0.2092
    58       6     0.0        0.0        0.9092
    59       1     0.1658     0.8646     0.25  
    60       2     0.1991     0.9054     0.7343
    61       3     0.2453     0.0622     0.7774
    62       4     0.1446     0.9368     0.5332
    63       5     0.1619     0.8477     0.9592
    64       1     0.8342     0.1354     0.25  
    65       2     0.8009     0.0946     0.7343
    66       3     0.7547     0.9378     0.7774
    67       4     0.8554     0.0632     0.5332
    68       5     0.8381     0.1523     0.9592
    69       1     0.9158     0.8854     0.5   
    70       2     0.9491     0.8446     0.9843
    71       3     0.9953     0.6878     0.0274
    72       4     0.8946     0.8132     0.7832
    73       5     0.9119     0.9023     0.2092
    74       1     0.5842     0.6146     0.5   
    75       2     0.5509     0.6554     0.9843
    76       3     0.5047     0.8122     0.0274
    77       4     0.6054     0.6868     0.7832
    78       5     0.5881     0.5977     0.2092
    79       1     0.5842     0.1146     0.0   
    80       2     0.5509     0.1554     0.4843
    81       3     0.5047     0.3122     0.5274
    82       4     0.6054     0.1868     0.2832
    83       5     0.5881     0.0977     0.7092
    84       1     0.9158     0.3854     0.0   
    85       2     0.9491     0.3446     0.4843
    86       3     0.9953     0.1878     0.5274
    87       4     0.8946     0.3132     0.2832
    88       5     0.9119     0.4023     0.7092


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

MU (1/cm) =     378.182    Mass attenuation coefficient (cm**2/g) =     93.116

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

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

    1    Cu                  2.808        5
                                                 1.9714       4
                                                 1.8804       5
                                                 2.5418       5
                                                 1.9432       3
                                                 1.9551       4
    2    V                   2.496        4
                                                 1.6476       3
                                                 1.736        4
                                                 1.7096       5
                                                 1.7422       6
    3    O                   3.264        8
                                                 2.811        4
                                                 2.7513       5
                                                 2.7274       6
                                                 3.0715       4
                                                 3.1546       3
                                                 2.8075       4
                                                 2.9057       5
                                                 2.9219       6
    4    O                   3.264        8
                                                 2.811        3
                                                 2.8665       5
                                                 2.8011       6
                                                 2.7642       4
                                                 2.7452       5
                                                 2.8075       3
                                                 3.0715       3
                                                 2.7642       4
    5    O                   3.264        7
                                                 2.7513       3
                                                 2.8665       4
                                                 2.7774       6
                                                 3.0508       5
                                                 2.9057       3
                                                 2.7452       4
                                                 3.0508       5
    6    O                   3.264        8
                                                 2.7274       3
                                                 2.8011       4
                                                 2.7774       5
                                                 2.7274       3
                                                 2.8011       4
                                                 2.7774       5
                                                 2.9219       3
                                                 2.9219       3

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

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

    1   4   0   0  8.583  17.166   0.097   86.85    2      131.5      241.8
    2   1   1   1  8.937  17.874   0.101   79.94    8       89.0      407.8
    3   3   0   1  9.427  18.854   0.106   71.63    4        0.0        0.0
    4   3   1   1 10.824  21.649   0.122   53.81    8      110.8      424.8
    5   2   2   0 11.44   22.88    0.129   47.95    4       80.3       99.4
    6   4   2   0 13.694  27.388   0.154   32.84    4      668.7     4726.6
    7   5   1   1 13.879  27.759   0.156   31.92    8      217.3      969.6
    8   2   0   2 14.508  29.016   0.163   29.05    4      450.8     1899.8
    9   7   0   1 16.693  33.386   0.186   21.47    4        0.0        0.0
   10   6   2   0 16.836  33.672   0.188   21.08    4       22.3        3.4
   11   8   0   0 17.367  34.733   0.194   19.7     2      223.2      157.9
   12   0   3   1 17.486  34.972   0.195   19.41    4        0.0        0.0
   13   7   1   1 17.553  35.106   0.196   19.25    8      167.9      349.2
   14   0   2   2 17.554  35.107   0.196   19.25    4       53.8       18.0
   15   1   3   1 17.625  35.25    0.197   19.08    8       54.5       36.5
   16   2   2   2 18.101  36.202   0.202   18.0     8      331.6     1273.8
   17   3   3   1 18.702  37.404   0.208   16.75    8      171.8      318.1
   18   6   0   2 19.122  38.243   0.213   15.95    4      223.8      257.1
   19   4   2   2 19.664  39.328   0.218   14.99    8      149.1      214.5
   20   8   2   0 20.519  41.039   0.228   13.63    4      333.7      488.4
   21   5   3   1 20.712  41.425   0.23    13.35    8      115.6      114.8
   22   1   0   3 21.14   42.28    0.234   12.76    4        0.0        0.0
   23   0   4   0 21.564  43.128   0.239   12.2     2      543.1      579.1
   24   9   1   1 21.599  43.197   0.239   12.16    8      247.6      479.7
   25   0   1   3 21.734  43.468   0.24    11.99    4        0.0        0.0
   26   1   1   3 21.85   43.699   0.242   11.84    8      205.3      321.2
   27   2   4   0 22.027  44.054   0.243   11.63    4       45.5        7.8
   28   6   2   2 22.062  44.123   0.244   11.59    8      235.6      414.2
   29   3   1   3 22.758  45.516   0.251   10.8     8       50.8       17.9
   30   4   4   0 23.371  46.743   0.257   10.17    4      202.5      134.3
   31   7   3   1 23.461  46.921   0.258   10.09    8      137.9      123.5
   32   5   0   3 23.849  47.698   0.262    9.72    4        0.0        0.0
   33   5   1   3 24.496  48.993   0.269    9.14    8      230.8      313.6
   34  10   2   0 24.577  49.153   0.27     9.08    4       67.2       13.2
   35   8   2   2 25.108  50.216   0.275    8.64    8       73.6       30.2
   36  11   0   1 25.308  50.616   0.277    8.49    4        0.0        0.0
   37   6   4   0 25.49   50.98    0.279    8.35    4       94.0       23.7
   38  11   1   1 25.928  51.856   0.284    8.03    8      204.4      216.0
   39  10   0   2 26.306  52.612   0.288    7.77    4       69.6       12.1
   40   2   4   2 26.41   52.821   0.289    7.7     8      253.0      317.4
   41  12   0   0 26.598  53.196   0.291    7.58    2      322.2      126.6
   42   9   3   1 26.782  53.565   0.292    7.46    8      332.1      529.7
   43   7   1   3 26.945  53.89    0.294    7.36    8      231.2      253.2
   44   1   3   3 26.996  53.993   0.295    7.33    8      121.3       69.4
   45   4   4   2 27.594  55.187   0.301    6.97    8       86.7       33.8
   46   3   3   3 27.777  55.555   0.303    6.87    8      157.3      109.4
   47   8   4   0 28.26   56.521   0.307    6.61    4      325.5      225.2
   48   1   5   1 28.437  56.875   0.309    6.51    8      218.9      200.8
   49   0   0   4 28.574  57.147   0.31     6.44    2      639.7      424.2
   50  10   2   2 28.67   57.34    0.311    6.39    8      277.3      316.5
   51  12   2   0 28.945  57.891   0.314    6.26    4       56.3        6.4
   52   3   5   1 29.193  58.386   0.317    6.14    8       49.8        9.8
   53   5   3   3 29.298  58.596   0.318    6.09    8      161.1      101.7
   54   9   0   3 29.43   58.86    0.319    6.03    4        0.0        0.0
   55   6   4   2 29.494  58.988   0.32     6.0     8      338.9      443.3
   56   9   1   3 29.992  59.984   0.324    5.78    8      247.7      228.0
   57   4   0   4 30.068  60.136   0.325    5.74    4      141.5       37.0
   58  13   1   1 30.527  61.054   0.33     5.55    8      255.0      232.5
   59  11   3   1 30.574  61.148   0.33     5.53    8      308.8      339.7
   60   5   5   1 30.669  61.338   0.331    5.5     8      243.2      209.2
   61   2   2   4 31.184  62.367   0.336    5.3     8       99.2       33.6
   62   7   3   3 31.492  62.983   0.339    5.18    8      100.7       33.9
   63  10   4   0 31.583  63.166   0.34     5.15    4       88.4       13.0
   64   8   4   2 32.036  64.071   0.344    4.99    8      150.6       72.9
   65   4   2   4 32.254  64.507   0.346    4.92    8      476.1      718.0
   66  12   2   2 32.672  65.345   0.35     4.79    8       69.6       14.9
   67   7   5   1 32.809  65.617   0.352    4.74    8      238.3      173.3
   68  11   1   3 33.558  67.115   0.359    4.52    8      217.1      137.1
   69  14   2   0 33.624  67.247   0.359    4.5     4       66.6        6.4
   70   2   6   0 33.803  67.607   0.361    4.45    4      141.7       28.8
   71   6   2   4 33.997  67.994   0.363    4.4     8       59.6       10.1
   72   9   3   3 34.291  68.583   0.366    4.32    8      340.9      323.3
   73   8   0   4 34.318  68.636   0.366    4.31    4      281.6      110.1
   74  13   3   1 34.79   69.58    0.37     4.2     8      246.7      164.3
   75   4   6   0 34.831  69.662   0.371    4.19    4      327.3      144.3
   76  15   0   1 34.91   69.82    0.371    4.17    4        0.0        0.0
   77  14   0   2 35.064  70.128   0.373    4.13    4      188.4       47.2
   78  10   4   2 35.152  70.304   0.374    4.11    8       67.4       12.0
   79  12   4   0 35.399  70.798   0.376    4.05    4      195.9       50.0
   80  15   1   1 35.424  70.848   0.376    4.05    8      252.6      166.1
   81   9   5   1 35.556  71.111   0.377    4.02    8       83.9       18.2
   82   0   5   3 35.654  71.307   0.378    3.99    4        0.0        0.0
   83   1   5   3 35.738  71.475   0.379    3.98    8      156.7       62.9
   84   8   2   4 36.369  72.737   0.385    3.84    8      225.3      125.6
   85   3   5   3 36.408  72.816   0.385    3.83    8       45.8        5.2
   86   6   6   0 36.515  73.03    0.386    3.81    4      133.3       21.8
   87  16   0   0 36.653  73.307   0.388    3.79    2       88.0        4.7
   88   0   6   2 36.938  73.876   0.39     3.73    4      131.0       20.6
   89  14   2   2 37.097  74.194   0.392    3.7     8       62.7        9.4
   90   0   4   4 37.099  74.198   0.392    3.7     4      453.3      244.7
   91  13   0   3 37.105  74.209   0.392    3.7     4        0.0        0.0
   92   2   6   2 37.269  74.539   0.393    3.67    8      296.1      207.1
   93   1   1   5 37.303  74.606   0.393    3.66    8       95.9       21.7
   94   2   4   4 37.43   74.86    0.395    3.64    8       34.9        2.8
   95   3   0   5 37.463  74.926   0.395    3.64    4        0.0        0.0
   96  13   1   3 37.606  75.212   0.396    3.61    8      311.1      224.9
   97  11   3   3 37.649  75.298   0.396    3.6     8      263.9      161.5
   98   5   5   3 37.735  75.47    0.397    3.59    8      289.2      193.1
   99   3   1   5 37.963  75.925   0.399    3.55    8       72.1       11.9
  100   4   6   2 38.258  76.516   0.402    3.5     8      154.0       53.4
  101   4   4   4 38.417  76.835   0.403    3.48    8      109.3       26.7
  102  16   2   0 38.654  77.308   0.405    3.44    4       56.0        3.5
  103  12   4   2 38.806  77.613   0.407    3.42    8      135.5       40.4
  104   8   6   0 38.824  77.648   0.407    3.42    4      183.8       37.1
  105  11   5   1 38.869  77.739   0.407    3.41    8      133.0       38.8
  106   5   1   5 39.271  78.542   0.411    3.35    8       58.1        7.3
  107  10   2   4 39.333  78.666   0.411    3.34    8      101.5       22.2
  108  15   3   1 39.436  78.873   0.412    3.33    8      173.9       64.8
  109  14   4   0 39.695  79.39    0.415    3.29    4      229.7       55.9
  110   7   5   3 39.697  79.393   0.415    3.29    8      200.3       85.1
  111   6   6   2 39.888  79.776   0.416    3.27    8       52.9        5.9
  112   6   4   4 40.046  80.091   0.418    3.25    8      116.0       28.1
  113  17   1   1 40.69   81.379   0.423    3.17    8      232.9      110.7
  114   7   0   5 40.724  81.448   0.423    3.17    4        0.0        0.0
  115   0   7   1 40.861  81.721   0.425    3.15    4        0.0        0.0
  116  12   0   4 40.931  81.862   0.425    3.15    4      193.9       38.0
  117   1   7   1 40.941  81.882   0.425    3.14    8      141.6       40.6
  118   0   3   5 41.174  82.348   0.427    3.12    4        0.0        0.0
  119   7   1   5 41.213  82.425   0.428    3.12    8      129.0       33.3
  120   1   3   5 41.254  82.509   0.428    3.11    8       38.0        2.9
  121  13   3   3 41.55   83.099   0.431    3.08    8      193.7       74.4
  122   3   7   1 41.585  83.17    0.431    3.08    8      258.1      132.0
  123  10   6   0 41.736  83.472   0.432    3.06    4      162.8       26.1
  124   3   3   5 41.897  83.794   0.433    3.05    8      175.9       60.7
  125  16   2   2 41.977  83.954   0.434    3.04    8       72.8       10.4
  126   8   6   2 42.144  84.288   0.436    3.03    8       70.5        9.7
  127  15   1   3 42.15   84.3     0.436    3.02    8      197.8       76.2
  128   9   5   3 42.275  84.55    0.437    3.01    8      130.2       32.9
  129   8   4   4 42.3    84.599   0.437    3.01    8      220.6       94.3
  130  13   5   1 42.742  85.485   0.441    2.97    8      191.3       70.0
  131   5   7   1 42.867  85.734   0.442    2.96    8      173.3       57.3
  132  12   2   4 42.878  85.755   0.442    2.96    8       71.5        9.8
  133  14   4   2 43.0    86.001   0.443    2.95    8       79.2       11.9
  134   5   3   5 43.178  86.356   0.444    2.94    8       60.0        6.8
  135   9   1   5 43.776  87.551   0.449    2.9     8      139.3       36.2
  136  18   2   0 44.13   88.259   0.452    2.88    4      130.7       15.8
  137  16   4   0 44.511  89.022   0.455    2.85    4      150.2       20.7
  138  17   3   1 44.576  89.152   0.456    2.85    8      144.3       38.2
  139   7   7   1 44.783  89.567   0.457    2.84    8       75.6       10.5


  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   4   0   0   8.583  17.166  5.16125      241.8      5.1      5.2     5.6
    2   1   1   1   8.937  17.874  4.95847      407.8      8.6      8.7     5.6
    3   3   1   1  10.824  21.649  4.10158      424.8      9.0      9.0     5.6
    4   2   2   0  11.44   22.88   3.88355       99.4      2.1      2.1     5.6
    5   4   2   0  13.694  27.388  3.2537      4726.6    100.0    100.0     5.6
    6   5   1   1  13.879  27.759  3.2111       969.6     20.5     20.5     5.6
    7   2   0   2  14.508  29.016  3.07478     1899.8     40.2     40.1     5.6
    8   8   0   0  17.367  34.733  2.58062      157.9      3.3      3.3     5.7
    9   7   1   1  17.553  35.106  2.55412      367.1      7.8      7.7     5.7
   10   2   2   2  18.101  36.202  2.47923     1273.8     26.9     26.7     5.7
   11   3   3   1  18.702  37.404  2.40228      318.1      6.7      6.7     5.7
   12   6   0   2  19.122  38.243  2.35147      257.1      5.4      5.4     5.7
   13   4   2   2  19.664  39.328  2.28907      214.5      4.5      4.5     5.7
   14   8   2   0  20.519  41.039  2.19752      488.4     10.3     10.2     5.7
   15   5   3   1  20.712  41.425  2.17792      114.8      2.4      2.4     5.7
   16   0   4   0  21.564  43.128  2.09575      579.1     12.3     12.1     5.7
   17   9   1   1  21.599  43.197  2.09257      479.7     10.1     10.0     5.7
   18   1   1   3  21.85   43.699  2.06969      321.2      6.8      6.7     5.7
   19   6   2   2  22.062  44.123  2.05079      414.2      8.8      8.6     5.7
   20   4   4   0  23.371  46.743  1.94177      134.3      2.8      2.8     5.7
   21   7   3   1  23.461  46.921  1.93481      123.5      2.6      2.6     5.7
   22   5   1   3  24.496  48.993  1.85773      313.6      6.6      6.5     5.7
   23  11   1   1  25.928  51.856  1.76167      216.0      4.6      4.5     5.8
   24   2   4   2  26.41   52.821  1.73175      317.4      6.7      6.5     5.8
   25  12   0   0  26.598  53.196  1.72042      126.6      2.7      2.6     5.8
   26   9   3   1  26.782  53.565  1.70944      529.7     11.2     10.9     5.8
   27   7   1   3  26.945  53.89   1.69989      253.2      5.4      5.2     5.8
   28   1   3   3  26.996  53.993  1.6969        69.4      1.5      1.4     5.8
   29   3   3   3  27.777  55.555  1.65282      109.4      2.3      2.2     5.8
   30   8   4   0  28.26   56.521  1.62685      225.2      4.8      4.6     5.8
   31   1   5   1  28.437  56.875  1.61756      200.8      4.2      4.1     5.8
   32   0   0   4  28.574  57.147  1.6105       424.2      9.0      8.7     5.8
   33  10   2   2  28.67   57.34   1.60555      316.5      6.7      6.5     5.8
   34   5   3   3  29.298  58.596  1.57408      101.7      2.2      2.1     5.8
   35   6   4   2  29.494  58.988  1.56455      443.3      9.4      9.1     5.8
   36   9   1   3  29.992  59.984  1.54093      228.0      4.8      4.7     5.8
   37  13   1   1  30.527  61.054  1.51648      232.5      4.9      4.7     5.8
   38  11   3   1  30.574  61.148  1.51435      339.7      7.2      6.9     5.8
   39   5   5   1  30.669  61.338  1.51013      209.2      4.4      4.3     5.8
   40   8   4   2  32.036  64.071  1.45214       72.9      1.5      1.5     5.9
   41   4   2   4  32.254  64.507  1.44336      718.0     15.2     14.6     5.9
   42   7   5   1  32.809  65.617  1.42161      173.3      3.7      3.5     5.9
   43  11   1   3  33.558  67.115  1.39347      137.1      2.9      2.8     5.9
   44   9   3   3  34.291  68.583  1.36719      433.4      9.2      8.7     5.9
   45  13   3   1  34.79   69.58   1.35002      164.3      3.5      3.3     5.9
   46   4   6   0  34.831  69.662  1.34863      144.3      3.1      2.9     5.9
   47  15   1   1  35.424  70.848  1.32894      216.2      4.6      4.3     5.9
   48   1   5   3  35.738  71.475  1.3188        62.9      1.3      1.3     5.9
   49   8   2   4  36.369  72.737  1.299        125.6      2.7      2.5     6.0
   50   0   4   4  37.099  74.198  1.277        254.1      5.4      5.1     6.0
   51   2   6   2  37.269  74.539  1.27201      207.1      4.4      4.1     6.0
   52  13   1   3  37.606  75.212  1.26227      224.9      4.8      4.5     6.0
   53  11   3   3  37.649  75.298  1.26105      161.5      3.4      3.2     6.0
   54   5   5   3  37.735  75.47   1.25861      193.1      4.1      3.8     6.0
   55   4   6   2  38.258  76.516  1.24399       53.4      1.1      1.1     6.0
   56  12   4   2  38.806  77.613  1.22913       77.5      1.6      1.5     6.0
   57  15   3   1  39.436  78.873  1.21262       64.8      1.4      1.3     6.0
   58   7   5   3  39.697  79.393  1.20597      141.0      3.0      2.8     6.0
   59  17   1   1  40.69   81.379  1.18148      110.7      2.3      2.2     6.1
   60   1   7   1  40.941  81.882  1.17549       78.6      1.7      1.5     6.1
   61  13   3   3  41.55   83.099  1.16134       74.4      1.6      1.5     6.1
   62   3   7   1  41.585  83.17   1.16054      132.0      2.8      2.6     6.1
   63   3   3   5  41.897  83.794  1.15347       60.7      1.3      1.2     6.1
   64  15   1   3  42.15   84.3    1.14783       85.9      1.8      1.7     6.1
   65   8   4   4  42.3    84.599  1.14453      127.2      2.7      2.5     6.1
   66  13   5   1  42.742  85.485  1.13493       70.0      1.5      1.4     6.1
   67   5   7   1  42.867  85.734  1.13227       67.1      1.4      1.3     6.1

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)