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       ***
                  ***********************
ANILITE

1, s-chalcosine

Cu(7)S(4)


Orthorhombic  P nma  Z = 4

Pnma

25 .4 .1988

Ref.Str.:

         Koto K., Morimoto N. (1970)

         * Acta Cryst., 826, 915-924

                   Initial data from BDM-file 

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

             a =   7.89     alpha =   90.0 
             b =   7.84     beta  =   90.0 
             c =  11.01     gamma =   90.0 

    Unit cell volume (cub. angs.) =   681.05

    Molar volume ( cub.cm/mol.) =   102.56

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

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

   1 0.246   0.25    0.9873   0.25   S     = 1.00
   2 0.785   0.25    0.9841   0.41   S     = 1.00
   3 0.9988  0.998   0.2611   0.31   S     = 1.00
   4 0.4832  0.75    0.0942   0.94   Cu    = 1.00
   5 0.4258  0.25    0.3335   0.77   Cu    = 1.00
   6 0.479   0.75    0.3545   0.74   Cu    = 1.00
   7 0.2371  0.4303  0.1553   1.35   Cu    = 1.00
   8 0.177   0.4767  0.4186   1.52   Cu    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.246      0.25       0.9873
     2       2     0.785      0.25       0.9841
     3       3     0.9988     0.998      0.2611
     4       4     0.4832     0.75       0.0942
     5       5     0.4258     0.25       0.3335
     6       6     0.479      0.75       0.3545
     7       7     0.2371     0.4303     0.1553
     8       8     0.177      0.4767     0.4186
     9       1     0.254      0.75       0.4873
    10       2     0.715      0.75       0.4841
    11       3     0.5012     0.002      0.7611
    12       4     0.0168     0.25       0.5942
    13       5     0.0742     0.75       0.8335
    14       6     0.021      0.25       0.8545
    15       7     0.2629     0.5697     0.6553
    16       8     0.323      0.5233     0.9186
    17       3     0.5012     0.498      0.7611
    18       7     0.2629     0.9303     0.6553
    19       8     0.323      0.9767     0.9186
    20       3     0.9988     0.502      0.2611
    21       7     0.2371     0.0697     0.1553
    22       8     0.177      0.0233     0.4186
    23       1     0.746      0.25       0.5127
    24       2     0.285      0.25       0.5159
    25       3     0.4988     0.998      0.2389
    26       4     0.9832     0.75       0.4058
    27       5     0.9258     0.25       0.1665
    28       6     0.979      0.75       0.1455
    29       7     0.7371     0.4303     0.3447
    30       8     0.677      0.4767     0.0814
    31       1     0.754      0.75       0.0127
    32       2     0.215      0.75       0.0159
    33       3     0.0012     0.002      0.7389
    34       4     0.5168     0.25       0.9058
    35       5     0.5742     0.75       0.6665
    36       6     0.521      0.25       0.6455
    37       7     0.7629     0.5697     0.8447
    38       8     0.823      0.5233     0.5814
    39       3     0.0012     0.498      0.7389
    40       7     0.7629     0.9303     0.8447
    41       8     0.823      0.9767     0.5814
    42       3     0.4988     0.502      0.2389
    43       7     0.7371     0.0697     0.3447
    44       8     0.677      0.0233     0.0814


X-ray density (g/cm cub.)   =      5.59

MU (1/cm) =     340.82     Mass attenuation coefficient (cm**2/g) =     61.001

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

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

    1    S                   4.368       12
                                                 4.2529       2
                                                 3.6375       2
                                                 4.0982       3
                                                 3.7466       3
                                                 3.7466       3
                                                 4.0982       3
                                                 3.944        3
                                                 3.9402       2
                                                 3.9402       2
                                                 3.8718       3
                                                 3.8718       3
                                                 3.944        3
    2    S                   4.368       12
                                                 3.6375       1
                                                 4.2529       1
                                                 4.0062       3
                                                 3.85         3
                                                 3.85         3
                                                 4.0062       3
                                                 4.1076       3
                                                 3.9402       1
                                                 3.9402       1
                                                 3.7388       3
                                                 3.7388       3
                                                 4.1076       3
    3    S                   4.368       12
                                                 4.0982       1
                                                 4.0062       2
                                                 3.7466       1
                                                 3.85         2
                                                 3.9514       3
                                                 3.8886       3
                                                 3.944        1
                                                 4.1076       2
                                                 3.9526       3
                                                 3.9526       3
                                                 3.8718       1
                                                 3.7388       2
    4    Cu                  3.36         4
                                                 2.5167       3
                                                 2.3174       1
                                                 2.285        2
                                                 2.5167       3
    5    Cu                  3.36         4
                                                 3.2055       1
                                                 2.295        2
                                                 2.3065       3
                                                 2.3065       3
    6    Cu                  3.36         4
                                                 2.2999       1
                                                 2.3459       2
                                                 2.3291       3
                                                 2.3291       3
    7    Cu                  3.36         4
                                                 2.329        1
                                                 2.2821       3
                                                 2.9442       2
                                                 2.3295       3
    8    Cu                  3.36         4
                                                 2.3521       1
                                                 2.2412       3
                                                 2.2434       2
                                                 3.225        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   1   0   1  6.898  13.797   0.078  135.68    4       40.5      192.3
    2   0   1   1  6.928  13.855   0.078  134.52    4       24.8       71.4
    3   0   0   2  8.043  16.087   0.091   99.21    2        9.1        3.5
    4   1   1   1  8.927  17.854   0.101   80.13    8        2.8        1.1
    5   1   0   2  9.824  19.647   0.111   65.79    4        7.9        3.5
    6   2   0   0 11.26   22.519   0.127   49.57    2       56.0       67.1
    7   0   2   0 11.332  22.665   0.128   48.9     2       16.1        5.4
    8   1   1   2 11.355  22.709   0.128   48.7     8       65.6      361.0
    9   2   0   1 11.971  23.941   0.135   43.61    4        1.7        0.1
   10   2   1   0 12.626  25.251   0.142   38.99    4       16.7        9.3
   11   2   1   1 13.268  26.536   0.149   35.12    8      143.1     1240.6
   12   1   2   1 13.315  26.629   0.149   34.86    8      106.3      679.3
   13   1   0   3 13.384  26.768   0.15    34.48    4      139.3      577.3
   14   0   1   3 13.4    26.799   0.15    34.39    4      112.2      373.6
   15   2   0   2 13.899  27.798   0.156   31.82    4      201.9     1118.5
   16   0   2   2 13.959  27.918   0.157   31.53    4      114.5      356.4
   17   1   1   3 14.564  29.129   0.163   28.81    8       42.7       90.6
   18   2   1   2 15.042  30.084   0.168   26.88    8       27.3       34.4
   19   1   2   2 15.084  30.168   0.169   26.72    8       12.6        7.4
   20   2   2   0 16.082  32.164   0.18    23.28    4      270.3     1466.4
   21   0   0   4 16.251  32.502   0.182   22.76    2      227.7      509.0
   22   2   2   1 16.601  33.203   0.185   21.73    8      173.0     1121.2
   23   2   0   3 16.658  33.317   0.186   21.57    4      126.9      299.8
   24   1   0   4 17.241  34.482   0.192   20.02    4      213.9      789.8
   25   3   0   1 17.525  35.05    0.195   19.32    4       77.5      100.1
   26   0   3   1 17.634  35.268   0.197   19.06    4      227.6      851.5
   27   2   1   3 17.64   35.28    0.197   19.04    8      127.7      536.0
   28   1   2   3 17.676  35.352   0.197   18.96    8      142.6      664.6
   29   2   2   2 18.08   36.16    0.201   18.04    8        0.6        0.0
   30   1   1   4 18.195  36.389   0.203   17.79    8       18.1       10.0
   31   3   1   1 18.466  36.932   0.206   17.22    8       91.9      250.9
   32   1   3   1 18.559  37.118   0.207   17.03    8       56.1       92.6
   33   3   0   2 18.941  37.881   0.211   16.29    4      211.8      630.1
   34   3   1   2 19.824  39.648   0.22    14.72    8       21.7       11.9
   35   1   3   2 19.912  39.823   0.221   14.58    8       76.4      146.8
   36   2   0   4 19.952  39.904   0.221   14.51    4       14.0        2.4
   37   0   2   4 19.995  39.991   0.222   14.44    4       32.1       12.8
   38   2   2   3 20.337  40.675   0.226   13.91    8      155.0      576.1
   39   2   3   0 20.705  41.41    0.229   13.36    4      127.7      187.8
   40   2   1   4 20.799  41.598   0.23    13.23    8       29.1       19.3
   41   1   2   4 20.831  41.662   0.231   13.18    8      250.1     1421.7
   42   3   2   1 21.073  42.147   0.233   12.85    8      155.6      536.7
   43   3   0   3 21.12   42.24    0.234   12.78    4       36.6       14.8
   44   2   3   1 21.125  42.251   0.234   12.78    8       95.3      200.0
   45   0   3   3 21.213  42.427   0.235   12.66    4      247.1      666.4
   46   1   0   5 21.295  42.591   0.236   12.55    4      153.4      254.8
   47   0   1   5 21.306  42.612   0.236   12.53    4       98.4      104.6
   48   3   1   3 21.93   43.86    0.242   11.75    8      116.6      275.5
   49   1   3   3 22.011  44.022   0.243   11.65    8      189.3      720.2
   50   1   1   5 22.1    44.201   0.244   11.54    8       20.5        8.3
   51   3   2   2 22.299  44.597   0.246   11.31    8       11.2        2.5
   52   2   3   2 22.348  44.697   0.247   11.26    8        1.2        0.0
   53   4   0   0 22.986  45.972   0.253   10.56    2      381.3      662.1
   54   0   4   0 23.141  46.283   0.255   10.4     2      514.1     1185.9
   55   2   2   4 23.189  46.378   0.256   10.36    8      417.3     3111.0
   56   4   0   1 23.374  46.747   0.258   10.17    4      244.1      522.9
   57   2   0   5 23.617  47.233   0.26     9.94    4      126.4      136.9
   58   4   1   0 23.746  47.492   0.261    9.81    4       21.6        3.9
   59   3   0   4 23.897  47.793   0.263    9.67    4      237.7      471.5
   60   4   1   1 24.124  48.248   0.265    9.47    8       75.6       93.2
   61   3   2   3 24.231  48.462   0.266    9.37    8      139.5      314.5
   62   1   4   1 24.264  48.528   0.267    9.34    8       28.0       12.6
   63   2   3   3 24.278  48.556   0.267    9.33    8       19.6        6.2
   64   2   1   5 24.361  48.722   0.268    9.26    8      110.3      194.2
   65   1   2   5 24.389  48.778   0.268    9.24    8       82.7      108.9
   66   4   0   2 24.508  49.016   0.269    9.13    4       69.3       37.9
   67   3   1   4 24.635  49.269   0.271    9.03    8      119.5      222.5
   68   0   4   2 24.656  49.312   0.271    9.01    4       46.1       16.5
   69   1   3   4 24.708  49.417   0.271    8.97    8       64.7       64.8
   70   0   0   6 24.82   49.64    0.272    8.87    2       48.6        9.0
   71   3   3   1 24.921  49.842   0.274    8.79    8       20.9        6.6
   72   4   1   2 25.233  50.466   0.277    8.55    8       62.0       56.6
   73   1   4   2 25.368  50.737   0.278    8.44    8      156.0      354.4
   74   1   0   6 25.529  51.059   0.28     8.32    4       65.9       31.2
   75   4   2   0 25.923  51.846   0.284    8.04    4       49.4       16.9
   76   3   3   2 26.005  52.01    0.285    7.98    8        6.3        0.5
   77   2   4   0 26.029  52.059   0.285    7.96    4      156.9      169.0
   78   1   1   6 26.234  52.467   0.287    7.82    8       17.7        4.2
   79   4   2   1 26.278  52.556   0.287    7.79    8       22.7        6.9
   80   4   0   3 26.317  52.634   0.288    7.77    4      207.6      288.6
   81   2   4   1 26.383  52.767   0.288    7.72    8       35.9       17.2
   82   2   2   5 26.501  53.002   0.29     7.64    8       33.7       15.0
   83   3   2   4 26.758  53.517   0.292    7.48    8       11.2        1.6
   84   2   3   4 26.802  53.604   0.293    7.45    8       29.6       11.2
   85   4   1   3 27.007  54.013   0.295    7.32    8      103.5      135.2
   86   1   4   3 27.136  54.272   0.296    7.24    8      102.7      131.7
   87   3   0   5 27.144  54.288   0.296    7.24    4      104.9       68.7
   88   0   3   5 27.222  54.443   0.297    7.19    4       74.4       34.3
   89   4   2   2 27.323  54.646   0.298    7.13    8      204.7      515.3
   90   2   4   2 27.426  54.852   0.299    7.07    8      203.3      503.9
   91   2   0   6 27.578  55.157   0.301    6.98    4      140.4      118.7
   92   0   2   6 27.612  55.225   0.301    6.96    4      244.1      357.8
   93   3   3   3 27.744  55.488   0.302    6.89    8       90.3       96.8
   94   3   1   5 27.82   55.639   0.303    6.85    8       40.8       19.7
   95   1   3   5 27.887  55.775   0.304    6.81    8       77.6       70.7
   96   2   1   6 28.247  56.494   0.307    6.61    8       80.9       74.7
   97   1   2   6 28.272  56.544   0.307    6.6     8       54.8       34.1
   98   4   0   4 28.713  57.427   0.312    6.37    4       54.5       16.3
   99   0   4   4 28.846  57.692   0.313    6.31    4       59.0       18.9
  100   4   2   3 29.008  58.016   0.315    6.23    8       82.4       72.9
  101   2   4   3 29.107  58.214   0.316    6.18    8       74.2       58.7
  102   4   3   0 29.292  58.584   0.318    6.09    4      121.4       77.4
  103   4   1   4 29.365  58.73    0.318    6.06    8       25.9        7.0
  104   1   4   4 29.488  58.975   0.32     6.0     8       33.7       11.7
  105   5   0   1 29.546  59.092   0.32     5.97    4       72.2       26.9
  106   4   3   1 29.619  59.239   0.321    5.94    8      210.9      455.9
  107   3   4   1 29.676  59.353   0.321    5.92    8       64.7       42.7
  108   0   5   1 29.749  59.499   0.322    5.88    4       94.5       45.3
  109   3   2   5 29.785  59.57    0.322    5.87    8      180.9      331.3
  110   2   3   5 29.826  59.651   0.323    5.85    8       62.0       38.7
  111   1   0   7 29.958  59.917   0.324    5.79    4      252.0      317.1
  112   0   1   7 29.966  59.933   0.324    5.79    4      100.2       50.1
  113   3   3   4 30.064  60.129   0.325    5.75    8        7.8        0.6
  114   5   1   1 30.187  60.373   0.326    5.69    8       31.7        9.8
  115   2   2   6 30.194  60.389   0.326    5.69    8       36.7       13.2
  116   1   5   1 30.379  60.758   0.328    5.61    8       23.8        5.5
  117   5   0   2 30.517  61.034   0.33     5.56    4      137.2       90.3
  118   4   3   2 30.589  61.178   0.33     5.53    8       72.8       50.6
  119   1   1   7 30.593  61.187   0.33     5.53    8       67.3       43.2
  120   3   4   2 30.645  61.289   0.331    5.51    8       28.3        7.6
  121   3   0   6 30.787  61.574   0.332    5.45    4       71.1       23.7
  122   5   1   2 31.145  62.291   0.336    5.31    8       40.3       14.9
  123   4   2   4 31.269  62.539   0.337    5.27    8       59.9       32.5
  124   1   5   2 31.335  62.669   0.338    5.24    8       25.8        6.0
  125   2   4   4 31.364  62.727   0.338    5.23    8      115.3      120.0
  126   3   1   6 31.412  62.824   0.338    5.21    8       41.7       15.6
  127   1   3   6 31.475  62.95    0.339    5.19    8       23.9        5.1
  128   4   0   5 31.619  63.239   0.34     5.14    4       50.2       11.2
  129   2   0   7 31.818  63.636   0.342    5.07    4       64.0       17.9
  130   2   5   0 31.913  63.826   0.343    5.04    4       51.3       11.4
  131   5   2   1 32.062  64.124   0.345    4.99    8       61.6       32.6
  132   5   0   3 32.097  64.193   0.345    4.97    4        0.6        0.0
  133   4   3   3 32.166  64.333   0.346    4.95    8      115.8      114.5
  134   3   4   3 32.221  64.441   0.346    4.93    8       69.9       41.6
  135   2   5   1 32.225  64.449   0.346    4.93    8      170.6      247.5
  136   4   1   5 32.236  64.471   0.346    4.93    8       11.9        1.2
  137   0   5   3 32.29   64.58    0.347    4.91    4        0.4        0.0
  138   1   4   5 32.352  64.703   0.347    4.89    8      114.7      110.9
  139   2   1   7 32.432  64.864   0.348    4.86    8      100.5       84.8
  140   1   2   7 32.455  64.91    0.348    4.86    8       59.4       29.6
  141   5   1   3 32.708  65.416   0.351    4.77    8       13.5        1.5
  142   1   5   3 32.892  65.784   0.353    4.72    8       81.0       53.4
  143   3   3   5 32.899  65.798   0.353    4.72    8        4.2        0.1
  144   5   2   2 32.99   65.98    0.353    4.69    8      199.1      320.4
  145   2   5   2 33.15   66.3     0.355    4.64    8       46.1       17.0
  146   3   2   6 33.248  66.497   0.356    4.61    8       24.0        4.6
  147   2   3   6 33.286  66.573   0.356    4.6     8       42.5       14.3
  148   4   4   0 33.644  67.288   0.36     4.5     4      173.3      116.5
  149   4   4   1 33.947  67.894   0.362    4.41    8      149.1      169.3
  150   0   0   8 34.035  68.069   0.363    4.39    2       41.2        3.2
  151   4   2   5 34.048  68.096   0.363    4.39    8      117.2      103.9
  152   2   4   5 34.138  68.277   0.364    4.36    8      118.6      105.8
  153   2   2   7 34.239  68.479   0.365    4.34    8        2.6        0.0
  154   5   0   4 34.24   68.481   0.365    4.33    4       75.5       21.3
  155   4   3   4 34.308  68.616   0.366    4.32    8       49.3       18.1
  156   3   4   4 34.36   68.721   0.366    4.3     8       89.3       59.3
  157   5   2   3 34.508  69.015   0.368    4.27    8       61.6       27.9
  158   1   0   8 34.621  69.242   0.369    4.24    4      178.3      116.2
  159   2   5   3 34.665  69.329   0.369    4.23    8      142.0      146.9
  160   3   0   7 34.794  69.588   0.37     4.19    4       19.2        1.3
  161   5   1   4 34.832  69.665   0.371    4.19    8       68.8       34.2
  162   4   4   2 34.85   69.699   0.371    4.18    8        0.2        0.0
  163   0   3   7 34.861  69.722   0.371    4.18    4       25.9        2.4
  164   4   0   6 34.983  69.965   0.372    4.15    4       93.1       31.0
  165   1   5   4 35.011  70.022   0.372    4.14    8       15.1        1.6
  166   5   3   1 35.065  70.129   0.373    4.13    8      102.1       74.2
  167   0   4   6 35.102  70.203   0.373    4.12    4       71.6       18.2
  168   3   5   1 35.183  70.367   0.374    4.1     8       84.0       49.9
  169   1   1   8 35.21   70.42    0.374    4.1     8       66.5       31.2
  170   3   1   7 35.382  70.764   0.376    4.06    8       52.0       18.9
  171   1   3   7 35.441  70.883   0.376    4.04    8      143.9      144.5
  172   4   1   6 35.569  71.138   0.378    4.01    8       46.6       15.0
  173   1   4   6 35.68   71.36    0.379    3.99    8        9.2        0.6
  174   6   0   0 35.857  71.714   0.38     3.95    2       63.7        6.9
  175   5   3   2 35.954  71.909   0.381    3.93    8       56.8       21.8
  176   3   5   2 36.072  72.144   0.382    3.9     8       57.1       21.9
  177   0   6   0 36.122  72.243   0.383    3.89    2      230.1       88.9
  178   6   0   1 36.152  72.304   0.383    3.89    4        9.4        0.3
  179   3   3   6 36.203  72.406   0.383    3.88    8       15.1        1.5
  180   4   4   3 36.331  72.662   0.385    3.85    8      138.5      127.3
  181   2   0   8 36.354  72.708   0.385    3.85    4       60.1       12.0
  182   0   2   8 36.383  72.767   0.385    3.84    4       59.4       11.7
  183   6   1   0 36.438  72.875   0.386    3.83    4       68.8       15.6
  184   5   2   4 36.583  73.167   0.387    3.8     8       63.3       26.3
  185   6   1   1 36.731  73.461   0.388    3.77    8      147.4      141.3
  186   2   5   4 36.736  73.473   0.388    3.77    8       48.9       15.6
  187   5   0   5 36.908  73.817   0.39     3.74    4      112.8       41.0
  188   2   1   8 36.932  73.863   0.39     3.73    8       19.8        2.5
  189   1   2   8 36.954  73.907   0.39     3.73    8      196.2      247.5
  190   4   3   5 36.974  73.948   0.39     3.72    8      159.3      163.1
  191   1   6   1 36.985  73.971   0.391    3.72    8       62.3       24.9
  192   3   4   5 37.025  74.049   0.391    3.72    8       62.9       25.3
  193   6   0   2 37.031  74.062   0.391    3.71    4       33.4        3.6
  194   0   5   5 37.09   74.18    0.391    3.7     4       87.8       24.6
  195   3   2   7 37.122  74.244   0.392    3.7     8      168.3      180.6
  196   2   3   7 37.158  74.317   0.392    3.69    8      158.8      160.6
  197   0   6   2 37.292  74.584   0.393    3.67    4       21.2        1.4
  198   4   2   6 37.306  74.611   0.393    3.66    8       25.9        4.2
  199   2   4   6 37.393  74.785   0.394    3.65    8        4.6        0.1
  200   5   3   3 37.418  74.836   0.394    3.64    8      136.6      117.2
  201   5   1   5 37.483  74.965   0.395    3.63    8       17.4        1.9
  202   3   5   3 37.534  75.067   0.395    3.62    8      130.3      106.0
  203   6   1   2 37.604  75.209   0.396    3.61    8       16.9        1.8
  204   1   5   5 37.656  75.312   0.397    3.6     8       67.4       28.2
  205   1   6   2 37.857  75.714   0.398    3.57    8      125.1       96.2
  206   6   2   0 38.159  76.318   0.401    3.52    4      100.4       30.6
  207   4   4   4 38.367  76.734   0.403    3.48    8       53.3       17.0
  208   2   6   0 38.389  76.778   0.403    3.48    4       15.8        0.8
  209   6   2   1 38.447  76.894   0.404    3.47    8      119.4       85.4
  210   6   0   3 38.479  76.959   0.404    3.47    4       11.0        0.4
  211   2   2   8 38.645  77.29    0.405    3.44    8      117.2       81.6
  212   2   6   1 38.677  77.353   0.406    3.44    8       77.3       35.4
  213   4   0   7 38.783  77.565   0.407    3.42    4       19.8        1.2
  214   4   5   0 38.87   77.74    0.407    3.41    4       85.4       21.4
  215   6   1   3 39.046  78.091   0.409    3.38    8       50.0       14.6
  216   5   4   1 39.092  78.185   0.409    3.38    8       74.3       32.2
  217   4   5   1 39.157  78.313   0.41     3.37    8       35.1        7.1
  218   3   0   8 39.175  78.351   0.41     3.36    4      222.6      143.8
  219   5   2   5 39.188  78.376   0.41     3.36    8        0.3        0.0
  220   1   6   3 39.295  78.591   0.411    3.35    8      114.4       75.5
  221   6   2   2 39.308  78.616   0.411    3.35    8       15.3        1.4
  222   2   5   5 39.338  78.676   0.411    3.34    8      104.4       62.8
  223   4   1   7 39.348  78.696   0.412    3.34    8       22.6        2.9
  224   5   3   4 39.434  78.869   0.412    3.33    8      149.5      128.3
  225   1   4   7 39.455  78.909   0.412    3.33    8      193.6      215.0
  226   2   6   2 39.536  79.072   0.413    3.31    8       50.3       14.5
  227   3   5   4 39.548  79.096   0.413    3.31    8      146.7      122.9
  228   1   0   9 39.582  79.164   0.414    3.31    4      147.3       61.9
  229   0   1   9 39.589  79.178   0.414    3.31    4       40.1        4.6
  230   3   1   8 39.739  79.478   0.415    3.29    8      108.4       66.6
  231   1   3   8 39.796  79.591   0.415    3.28    8       94.8       50.9
  232   5   4   2 39.949  79.899   0.417    3.26    8       15.7        1.4
  233   3   3   7 39.96   79.921   0.417    3.26    8       93.6       49.3
  234   4   5   2 40.013  80.026   0.417    3.25    8       24.6        3.4
  235   5   0   6 40.076  80.152   0.418    3.25    4       27.5        2.1
  236   4   3   6 40.14   80.28    0.418    3.24    8       57.0       18.1
  237   1   1   9 40.144  80.288   0.418    3.24    8       10.2        0.6
  238   3   4   6 40.19   80.379   0.419    3.23    8        4.6        0.1
  239   6   0   4 40.48   80.96    0.421    3.2     4        5.0        0.1
  240   5   1   6 40.637  81.273   0.423    3.18    8       10.3        0.6
  241   6   2   3 40.732  81.464   0.424    3.17    8       93.0       47.3
  242   0   6   4 40.734  81.469   0.424    3.17    4      167.3       76.5
  243   1   5   6 40.806  81.612   0.424    3.16    8       12.1        0.8
  244   4   4   5 40.936  81.873   0.425    3.15    8       12.0        0.8
  245   2   6   3 40.958  81.916   0.425    3.14    8       66.9       24.3
  246   6   3   0 40.976  81.952   0.426    3.14    4       33.0        3.0
  247   4   2   7 41.031  82.062   0.426    3.13    8       78.4       33.2
  248   6   1   4 41.039  82.078   0.426    3.13    8       93.2       47.0
  249   2   4   7 41.116  82.231   0.427    3.13    8       57.1       17.6
  250   2   0   9 41.242  82.483   0.428    3.11    4       70.3       13.2
  251   6   3   1 41.259  82.518   0.428    3.11    8       47.7       12.2
  252   1   6   4 41.286  82.572   0.428    3.11    8       22.2        2.6
  253   5   4   3 41.368  82.736   0.429    3.1     8       54.1       15.7
  254   3   2   8 41.418  82.837   0.429    3.09    8        4.8        0.1
  255   4   5   3 41.431  82.863   0.43     3.09    8       82.5       36.3
  256   3   6   1 41.449  82.898   0.43     3.09    8       93.3       46.4
  257   2   3   8 41.454  82.907   0.43     3.09    8       44.8       10.7
  258   2   1   9 41.799  83.598   0.433    3.06    8       14.7        1.1
  259   1   2   9 41.82   83.64    0.433    3.06    8       69.8       25.7
  260   5   3   5 41.988  83.975   0.434    3.04    8       26.6        3.7
  261   3   5   5 42.1    84.2     0.435    3.03    8       47.5       11.8
  262   6   3   2 42.106  84.212   0.435    3.03    8        1.8        0.0
  263   3   6   2 42.296  84.591   0.437    3.01    8      151.4      119.1
  264   5   2   6 42.309  84.617   0.437    3.01    8       29.2        4.4
  265   2   5   6 42.456  84.912   0.438    3.0     8       98.7       50.4
  266   6   2   4 42.708  85.417   0.44     2.98    8      134.8       93.3
  267   2   6   4 42.933  85.865   0.442    2.96    8      169.0      145.8
  268   6   0   5 43.021  86.042   0.443    2.95    4       34.9        3.1
  269   4   0   8 43.036  86.073   0.443    2.95    4      142.7       51.9
  270   0   4   8 43.148  86.297   0.444    2.94    4       46.7        5.5
  271   5   4   4 43.34   86.68    0.446    2.93    8      130.9       86.5
  272   7   0   1 43.39   86.78    0.446    2.93    4      117.4       34.8
  273   4   5   4 43.403  86.806   0.446    2.92    8       52.8       14.1
  274   2   2   9 43.464  86.928   0.447    2.92    8       73.8       27.4
  275   6   3   3 43.512  87.025   0.447    2.92    8       74.4       27.8
  276   6   1   5 43.575  87.15    0.447    2.91    8      140.1       98.6
  277   4   1   8 43.59   87.181   0.448    2.91    8       63.8       20.4
  278   1   4   8 43.695  87.391   0.448    2.9     8        9.2        0.4
  279   3   6   3 43.701  87.403   0.448    2.9     8       61.0       18.6
  280   0   7   1 43.733  87.466   0.449    2.9     4       75.7       14.3
  281   5   0   7 43.746  87.491   0.449    2.9     4      204.4      104.5
  282   4   3   7 43.809  87.617   0.449    2.9     8       60.5       18.3
  283   1   6   5 43.82   87.64    0.449    2.9     8       76.1       28.9
  284   3   4   7 43.858  87.715   0.45     2.89    8       29.3        4.3
  285   0   5   7 43.921  87.841   0.45     2.89    4       74.8       13.9
  286   7   1   1 43.944  87.888   0.45     2.89    8       60.7       18.4
  287   3   0   9 43.983  87.965   0.451    2.89    4       97.8       23.8
  288   4   4   6 44.035  88.069   0.451    2.88    8       34.9        6.1
  289   0   3   9 44.046  88.091   0.451    2.88    4       65.6       10.7
  290   5   5   1 44.112  88.223   0.452    2.88    8       74.9       27.8
  291   3   3   8 44.193  88.386   0.452    2.87    8       17.8        1.6
  292   7   0   2 44.232  88.465   0.453    2.87    4      163.1       65.9
  293   1   7   1 44.279  88.559   0.453    2.87    8       50.1       12.4
  294   5   1   7 44.299  88.598   0.453    2.87    8       69.4       23.8
  295   0   0  10 44.396  88.793   0.454    2.86    2       99.2       12.1
  296   1   5   7 44.467  88.934   0.455    2.86    8      125.0       77.0
  297   3   1   9 44.536  89.072   0.455    2.85    8       63.4       19.8
  298   1   3   9 44.592  89.184   0.456    2.85    8       98.6       47.8
  299   7   1   2 44.785  89.571   0.457    2.84    8       60.5       17.9
  300   6   4   0 44.861  89.721   0.458    2.84    4      143.6       50.4
  301   1   0  10 44.943  89.885   0.459    2.83    4       67.7       11.2
  302   5   5   2 44.953  89.906   0.459    2.83    8       50.4       12.4


  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   1   0   1   6.898  13.797  6.41327      192.3      6.2      6.4     5.6
    2   0   1   1   6.928  13.855  6.38633       71.4      2.3      2.4     5.6
    3   2   0   0  11.26   22.519  3.945         67.1      2.2      2.2     5.6
    4   1   1   2  11.355  22.709  3.91238      366.4     11.8     12.0     5.6
    5   2   1   1  13.268  26.536  3.35628     1240.6     39.9     40.6     5.6
    6   1   2   1  13.315  26.629  3.34468      679.3     21.8     22.2     5.6
    7   1   0   3  13.384  26.768  3.32763      950.8     30.6     31.1     5.6
    8   2   0   2  13.899  27.798  3.20663     1118.5     36.0     36.6     5.6
    9   0   2   2  13.959  27.918  3.19316      356.4     11.5     11.7     5.6
   10   1   1   3  14.564  29.129  3.06313       90.6      2.9      3.0     5.6
   11   2   1   2  15.042  30.084  2.96797       34.4      1.1      1.1     5.6
   12   2   2   0  16.082  32.164  2.78065     1466.4     47.1     47.8     5.6
   13   0   0   4  16.251  32.502  2.7525       509.0     16.4     16.6     5.6
   14   2   2   1  16.601  33.203  2.696       1121.2     36.0     36.5     5.6
   15   2   0   3  16.658  33.317  2.68705      299.8      9.6      9.8     5.6
   16   1   0   4  17.241  34.482  2.59889      789.8     25.4     25.7     5.7
   17   3   0   1  17.525  35.05   2.55803      100.1      3.2      3.3     5.7
   18   0   3   1  17.634  35.268  2.54269     1387.5     44.6     45.1     5.7
   19   1   2   3  17.676  35.352  2.53685      664.6     21.4     21.6     5.7
   20   3   1   1  18.466  36.932  2.43186      250.9      8.1      8.1     5.7
   21   1   3   1  18.559  37.118  2.42012       92.6      3.0      3.0     5.7
   22   3   0   2  18.941  37.881  2.37309      630.1     20.3     20.4     5.7
   23   1   3   2  19.912  39.823  2.26174      146.8      4.7      4.8     5.7
   24   2   2   3  20.337  40.675  2.21634      576.1     18.5     18.6     5.7
   25   2   3   0  20.705  41.41   2.17866      187.8      6.0      6.1     5.7
   26   1   2   4  20.831  41.662  2.16609     1421.7     45.7     45.9     5.7
   27   3   2   1  21.073  42.147  2.14226      536.7     17.3     17.3     5.7
   28   2   3   1  21.125  42.251  2.13722      214.7      6.9      6.9     5.7
   29   0   3   3  21.213  42.427  2.12878      666.4     21.4     21.5     5.7
   30   1   0   5  21.295  42.591  2.12095      359.4     11.6     11.6     5.7
   31   3   1   3  21.93   43.86   2.06246      275.5      8.9      8.9     5.7
   32   1   3   3  22.011  44.022  2.05528      720.2     23.1     23.2     5.7
   33   4   0   0  22.986  45.972  1.9725       662.1     21.3     21.3     5.7
   34   0   4   0  23.141  46.283  1.96        1185.9     38.1     38.1     5.7
   35   2   2   4  23.189  46.378  1.95619     3111.0    100.0    100.0     5.7
   36   4   0   1  23.374  46.747  1.94159      522.9     16.8     16.8     5.7
   37   2   0   5  23.617  47.233  1.92275      136.9      4.4      4.4     5.7
   38   3   0   4  23.897  47.793  1.90152      471.5     15.2     15.1     5.7
   39   4   1   1  24.124  48.248  1.88465       93.2      3.0      3.0     5.7
   40   3   2   3  24.231  48.462  1.87681      314.5     10.1     10.1     5.7
   41   2   1   5  24.361  48.722  1.86741      303.0      9.7      9.7     5.7
   42   4   0   2  24.508  49.016  1.8569        37.9      1.2      1.2     5.7
   43   3   1   4  24.635  49.269  1.84795      239.0      7.7      7.7     5.7
   44   1   3   4  24.708  49.417  1.84278       64.8      2.1      2.1     5.7
   45   4   1   2  25.233  50.466  1.80691       56.6      1.8      1.8     5.8
   46   1   4   2  25.368  50.737  1.79788      354.4     11.4     11.3     5.8
   47   1   0   6  25.529  51.059  1.7873        31.2      1.0      1.0     5.8
   48   2   4   0  26.029  52.059  1.7553       169.0      5.4      5.4     5.8
   49   4   0   3  26.317  52.634  1.73745      288.6      9.3      9.2     5.8
   50   4   1   3  27.007  54.013  1.6963       135.2      4.3      4.3     5.8
   51   1   4   3  27.136  54.272  1.68882      200.4      6.4      6.4     5.8
   52   0   3   5  27.222  54.443  1.68392       34.3      1.1      1.1     5.8
   53   4   2   2  27.323  54.646  1.67814      515.3     16.6     16.4     5.8
   54   2   4   2  27.426  54.852  1.67234      503.9     16.2     16.0     5.8
   55   2   0   6  27.578  55.157  1.66381      118.7      3.8      3.8     5.8
   56   0   2   6  27.612  55.225  1.66192      357.8     11.5     11.4     5.8
   57   3   3   3  27.744  55.488  1.65466       96.8      3.1      3.1     5.8
   58   1   3   5  27.887  55.775  1.64683       70.7      2.3      2.2     5.8
   59   2   1   6  28.247  56.494  1.62757      108.9      3.5      3.5     5.8
   60   4   2   3  29.008  58.016  1.58842       72.9      2.3      2.3     5.8
   61   2   4   3  29.107  58.214  1.5835        58.7      1.9      1.9     5.8
   62   4   3   0  29.292  58.584  1.57438       77.4      2.5      2.4     5.8
   63   4   3   1  29.619  59.239  1.55852      455.9     14.7     14.4     5.8
   64   3   4   1  29.676  59.353  1.55581       42.7      1.4      1.3     5.8
   65   0   5   1  29.749  59.499  1.55234       45.3      1.5      1.4     5.8
   66   3   2   5  29.785  59.57   1.55064      331.3     10.6     10.5     5.8
   67   2   3   5  29.826  59.651  1.54873       38.7      1.2      1.2     5.8
   68   1   0   7  29.958  59.917  1.54251      367.2     11.8     11.6     5.8
   69   5   0   2  30.517  61.034  1.51691       90.3      2.9      2.8     5.8
   70   4   3   2  30.589  61.178  1.51369       93.8      3.0      3.0     5.8
   71   4   2   4  31.269  62.539  1.48399       32.5      1.0      1.0     5.8
   72   2   4   4  31.364  62.727  1.47997      126.0      4.0      4.0     5.8
   73   5   2   1  32.062  64.124  1.45108       32.6      1.0      1.0     5.9
   74   4   3   3  32.166  64.333  1.44686      114.5      3.7      3.6     5.9
   75   2   5   1  32.225  64.449  1.44453      290.3      9.3      9.1     5.9
   76   1   4   5  32.352  64.703  1.43947      110.9      3.6      3.5     5.9
   77   2   1   7  32.432  64.864  1.43629      114.3      3.7      3.6     5.9
   78   1   5   3  32.892  65.784  1.41842       53.6      1.7      1.7     5.9
   79   5   2   2  32.99   65.98   1.41468      320.4     10.3     10.0     5.9
   80   4   4   0  33.644  67.288  1.39033      116.5      3.7      3.6     5.9
   81   4   4   1  33.947  67.894  1.37937      169.3      5.4      5.3     5.9
   82   4   2   5  34.048  68.096  1.37577      107.1      3.4      3.3     5.9
   83   2   4   5  34.138  68.277  1.37257      105.8      3.4      3.3     5.9
   84   3   4   4  34.36   68.721  1.36478       59.3      1.9      1.8     5.9
   85   1   0   8  34.621  69.242  1.35578      116.2      3.7      3.6     5.9
   86   2   5   3  34.665  69.329  1.35428      146.9      4.7      4.6     5.9
   87   5   1   4  34.832  69.665  1.34858       36.6      1.2      1.1     5.9
   88   4   0   6  34.983  69.965  1.34352       32.6      1.0      1.0     5.9
   89   5   3   1  35.065  70.129  1.34078       74.2      2.4      2.3     5.9
   90   3   5   1  35.183  70.367  1.33684       81.1      2.6      2.5     5.9
   91   1   3   7  35.441  70.883  1.32837      144.5      4.6      4.5     5.9
   92   0   6   0  36.122  72.243  1.30667       88.9      2.9      2.8     5.9
   93   4   4   3  36.331  72.662  1.30016      139.3      4.5      4.3     6.0
   94   6   1   1  36.731  73.461  1.28798      156.9      5.0      4.8     6.0
   95   5   0   5  36.908  73.817  1.28265       43.5      1.4      1.3     6.0
   96   1   2   8  36.954  73.907  1.28131      410.6     13.2     12.7     6.0
   97   3   2   7  37.122  74.244  1.27632      180.6      5.8      5.6     6.0
   98   2   3   7  37.158  74.317  1.27526      160.6      5.2      4.9     6.0
   99   5   3   3  37.418  74.836  1.26769      117.2      3.8      3.6     6.0
  100   3   5   3  37.534  75.067  1.26435      106.0      3.4      3.3     6.0
  101   1   6   2  37.857  75.714  1.25515       96.2      3.1      3.0     6.0
  102   6   2   1  38.447  76.894  1.2388        85.4      2.7      2.6     6.0
  103   2   2   8  38.645  77.29   1.23344       81.6      2.6      2.5     6.0
  104   2   6   1  38.677  77.353  1.2326        35.4      1.1      1.1     6.0
  105   5   4   1  39.092  78.185  1.22156       32.2      1.0      1.0     6.0
  106   3   0   8  39.175  78.351  1.21939      151.0      4.9      4.6     6.0
  107   1   6   3  39.295  78.591  1.21626       76.9      2.5      2.3     6.0
  108   2   5   5  39.338  78.676  1.21516       65.7      2.1      2.0     6.0
  109   1   4   7  39.455  78.909  1.21215      343.2     11.0     10.5     6.0
  110   3   5   4  39.548  79.096  1.20975      137.4      4.4      4.2     6.0
  111   1   0   9  39.582  79.164  1.20889       66.5      2.1      2.0     6.0
  112   3   1   8  39.739  79.478  1.2049        66.6      2.1      2.0     6.0
  113   1   3   8  39.796  79.591  1.20346       50.9      1.6      1.6     6.0
  114   3   3   7  39.96   79.921  1.19933       50.7      1.6      1.5     6.0
  115   0   6   4  40.734  81.469  1.18041      123.8      4.0      3.8     6.1
  116   6   1   4  41.039  82.078  1.17318       80.2      2.6      2.4     6.1
  117   3   6   1  41.449  82.898  1.16364       93.5      3.0      2.8     6.1
  118   3   6   2  42.296  84.591  1.14462      123.5      4.0      3.7     6.1
  119   2   5   6  42.456  84.912  1.14111       50.4      1.6      1.5     6.1
  120   6   2   4  42.708  85.417  1.13566       93.3      3.0      2.8     6.1
  121   2   6   4  42.933  85.865  1.13087      145.8      4.7      4.4     6.1
  122   4   0   8  43.036  86.073  1.12868       55.0      1.8      1.6     6.1
  123   5   4   4  43.34   86.68   1.12233       86.5      2.8      2.6     6.1
  124   7   0   1  43.39   86.78   1.12128       48.9      1.6      1.5     6.1
  125   6   1   5  43.575  87.15   1.11748      119.0      3.8      3.6     6.2
  126   5   0   7  43.746  87.491  1.11399      118.9      3.8      3.6     6.2
  127   1   6   5  43.82   87.64   1.11249       47.2      1.5      1.4     6.2
  128   7   1   1  43.944  87.888  1.10999       32.3      1.0      1.0     6.2
  129   7   0   2  44.232  88.465  1.10423       65.9      2.1      2.0     6.2
  130   5   1   7  44.299  88.598  1.10291       36.2      1.2      1.1     6.2
  131   1   5   7  44.467  88.934  1.09962       77.0      2.5      2.3     6.2
  132   1   3   9  44.592  89.184  1.09718       47.8      1.5      1.4     6.2
  133   6   4   0  44.861  89.721  1.092         50.4      1.6      1.5     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)