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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FAVREAUITE

1, at 100'K, DN

PbBiCu(6)O(4)[SeO(3)](4)(OH).H(2)O


Tetragonal  * P4/n  Z = 2

*P4/n

3 .3 .16

Ref.Str.:

         Mills S.J., Kampf A.R., Christy A.G., Housley R.M.,

         Thorne B., Chen Y.S., Steele I.M. (2014)

         * Eur. J. Mineral., 26, 771-781

         L: $Pb0.95 Ca0.17 Bi0.9 Cu5.81 Se4 O18 H3$

         R: Locality - El Dragon mine, Potosi Department, Bolivia.

         N.A.D.

                   Initial data from BDM-file 

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

             a =   9.86     alpha =   90.0 
             b =   9.86     beta  =   90.0 
             c =   9.7      gamma =   90.0 

    Unit cell volume (cub. angs.) =   943.03

    Molar volume ( cub.cm/mol.) =   284.01

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

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

   1 0.75    0.25    0.0      0.0    Pb    = 0.95, Ca    = 0.17
   2 0.75    0.75    0.517    0.0    Bi    = 0.9 , Bi    = 0.0 
   3 0.5     0.5     0.5      0.0    Cu    = 0.97, Cu    = 0.0 
   4 0.7394  0.5166  0.2794   0.0    Cu    = 0.97, Cu    = 0.0 
   5 0.5662  0.5394  0.8277   0.0    Se    = 1.00
   6 0.6097  0.6215  0.3859   0.0    O     = 1.00
   7 0.3974  0.5656  0.8447   0.0    O     = 1.00
   8 0.601   0.5667  0.6605   0.0    O     = 1.00
   9 0.5787  0.3661  0.8419   0.0    O     = 1.00
  10 0.25    0.25    0.8979   0.0    H(2)O = 1.00
  11 0.6781  0.3367  0.4365   0.0    OH    = 0.2 , OH    = 0.0 
  12 0.75    0.25    0.5      0.0    OH    = 0.2 , OH    = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.75       0.25       0.0   
     2       2     0.75       0.75       0.517 
     3       3     0.5        0.5        0.5   
     4       4     0.7394     0.5166     0.2794
     5       5     0.5662     0.5394     0.8277
     6       6     0.6097     0.6215     0.3859
     7       7     0.3974     0.5656     0.8447
     8       8     0.601      0.5667     0.6605
     9       9     0.5787     0.3661     0.8419
    10      10     0.25       0.25       0.8979
    11      11     0.6781     0.3367     0.4365
    12      12     0.75       0.25       0.5   
    13       1     0.25       0.75       0.0   
    14       2     0.25       0.25       0.483 
    15       4     0.2606     0.4834     0.7206
    16       5     0.4338     0.4606     0.1723
    17       6     0.3903     0.3785     0.6141
    18       7     0.6026     0.4344     0.1553
    19       8     0.399      0.4333     0.3395
    20       9     0.4213     0.6339     0.1581
    21      10     0.75       0.75       0.1021
    22      11     0.3219     0.6633     0.5635
    23      12     0.25       0.75       0.5   
    24       3     0.0        0.5        0.5   
    25       3     0.0        0.0        0.5   
    26       3     0.5        0.0        0.5   
    27       4     0.9834     0.7394     0.2794
    28       4     0.7606     0.9834     0.2794
    29       4     0.5166     0.7606     0.2794
    30       5     0.9606     0.5662     0.8277
    31       5     0.9338     0.9606     0.8277
    32       5     0.5394     0.9338     0.8277
    33       6     0.8785     0.6097     0.3859
    34       6     0.8903     0.8785     0.3859
    35       6     0.6215     0.8903     0.3859
    36       7     0.9344     0.3974     0.8447
    37       7     0.1026     0.9344     0.8447
    38       7     0.5656     0.1026     0.8447
    39       8     0.9333     0.601      0.6605
    40       8     0.899      0.9333     0.6605
    41       8     0.5667     0.899      0.6605
    42       9     0.1339     0.5787     0.8419
    43       9     0.9213     0.1339     0.8419
    44       9     0.3661     0.9213     0.8419
    45      11     0.1633     0.6781     0.4365
    46      11     0.8219     0.1633     0.4365
    47      11     0.3367     0.8219     0.4365
    48       4     0.0166     0.2606     0.7206
    49       4     0.2394     0.0166     0.7206
    50       4     0.4834     0.2394     0.7206
    51       5     0.0394     0.4338     0.1723
    52       5     0.0662     0.0394     0.1723
    53       5     0.4606     0.0662     0.1723
    54       6     0.1215     0.3903     0.6141
    55       6     0.1097     0.1215     0.6141
    56       6     0.3785     0.1097     0.6141
    57       7     0.0656     0.6026     0.1553
    58       7     0.8974     0.0656     0.1553
    59       7     0.4344     0.8974     0.1553
    60       8     0.0667     0.399      0.3395
    61       8     0.101      0.0667     0.3395
    62       8     0.4333     0.101      0.3395
    63       9     0.8661     0.4213     0.1581
    64       9     0.0787     0.8661     0.1581
    65       9     0.6339     0.0787     0.1581
    66      11     0.8367     0.3219     0.5635
    67      11     0.1781     0.8367     0.5635
    68      11     0.6633     0.1781     0.5635


X-ray density (g/cm cub.)   =      4.82

MU (1/cm) =     505.746    Mass attenuation coefficient (cm**2/g) =    105.028

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

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

    1   Pb   ,Ca             3.312        8
                                                 2.5525       9
                                                 2.7726       7
                                                 2.7726       7
                                                 2.7726       7
                                                 2.5525       9
                                                 2.7726       7
                                                 2.5525       9
                                                 2.5525       9
    2   Bi   ,Bi             3.24         8
                                                 2.2664       6
                                                 2.7133       8
                                                 2.2664       6
                                                 2.2664       6
                                                 2.2664       6
                                                 2.7133       8
                                                 2.7133       8
                                                 2.7133       8
    3   Cu   ,Cu             2.976        6
                                                 1.9571       6
                                                 1.9616       8
                                                 2.4608      11
                                                 1.9571       6
                                                 1.9616       8
                                                 2.4608      11
    4   Cu   ,Cu             2.976        6
                                                 1.9426       6
                                                 2.4149      11
                                                 1.9814       7
                                                 2.8754      10
                                                 1.9469       6
                                                 1.9563       9
    5    Se                  2.628        3
                                                 1.6926       7
                                                 1.6795       8
                                                 1.7192       9
    6    O                   3.432       10
                                                 2.7192       8
                                                 2.9294      11
                                                 2.9003       7
                                                 2.8217       8
                                                 2.8893       9
                                                 3.3313      10
                                                 3.3452      11
                                                 2.6529       6
                                                 2.6529       6
                                                 3.375       11
    7    O                   3.432        6
                                                 2.6875       8
                                                 2.6581       9
                                                 2.9003       6
                                                 3.1226       9
                                                 2.987       11
                                                 2.6015       9
    8    O                   3.432        8
                                                 2.7192       6
                                                 2.6875       7
                                                 2.6564       9
                                                 3.2314      11
                                                 2.8217       6
                                                 3.0603      11
                                                 3.2939       8
                                                 3.2939       8
    9    O                   3.432        6
                                                 2.6581       7
                                                 2.6564       8
                                                 2.8893       6
                                                 3.1226       7
                                                 2.6015       7
                                                 3.38        11
   10    H(2)O               3.6         12
                                                 3.473        7
                                                 3.4799       9
                                                 3.3313       6
                                                 3.473        7
                                                 3.473        7
                                                 3.473        7
                                                 3.4799       9
                                                 3.4799       9
                                                 3.4799       9
                                                 3.3313       6
                                                 3.3313       6
                                                 3.3313       6
   11   OH   ,OH             3.48        11
                                                 2.9294       6
                                                 3.2314       8
                                                 1.2699      12
                                                 3.3452       6
                                                 2.987        7
                                                 3.0603       8
                                                 3.375        6
                                                 2.2211      11
                                                 3.38         9
                                                 1.9961      11
                                                 1.9961      11
   12   OH   ,OH             3.48         4
                                                 1.2699      11
                                                 1.2699      11
                                                 1.2699      11
                                                 1.2699      11

  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   0   1  4.555   9.109   0.052  314.18    2       19.5       26.7
    2   1   1   0  6.343  12.686   0.072  160.89    4       42.2      128.7
    3   1   0   1  6.396  12.792   0.072  158.21    8       44.7      283.8
    4   1   1   1  7.82   15.64    0.088  105.09    8      295.7     8266.8
    5   2   0   0  8.989  17.978   0.101   78.99    4       62.4      138.5
    6   0   0   2  9.138  18.277   0.103   76.36    2        4.3        0.3
    7   2   0   1 10.094  20.188   0.114   62.19    8       23.2       30.2
    8   1   0   2 10.195  20.389   0.115   60.93    8       61.8      209.1
    9   1   2   1 11.063  22.126   0.125   51.42    8       66.7      205.7
   10   2   1   1 11.063  22.126   0.125   51.42    8       19.7       17.9
   11   1   1   2 11.155  22.311   0.126   50.54    8       40.5       74.5
   12   2   2   0 12.766  25.531   0.143   38.1     4      346.4     2056.5
   13   2   0   2 12.873  25.746   0.145   37.43    8      298.1     2992.2
   14   2   2   1 13.58   27.159   0.152   33.43    8       16.5        8.1
   15   1   2   2 13.656  27.312   0.153   33.04    8       67.8      136.4
   16   2   1   2 13.656  27.312   0.153   33.04    8      115.7      397.7
   17   0   0   3 13.782  27.564   0.155   32.4     2      233.8      398.4
   18   1   3   0 14.303  28.605   0.16    29.94    4        8.3        0.9
   19   3   1   0 14.303  28.605   0.16    29.94    4      149.3      300.2
   20   3   0   1 14.327  28.654   0.161   29.83    8      239.4     1538.3
   21   1   0   3 14.52   29.039   0.163   29.0     8       79.7      165.7
   22   1   3   1 15.04   30.08    0.168   26.89    8      197.3      941.3
   23   3   1   1 15.04   30.08    0.168   26.89    8      212.4     1091.8
   24   1   1   3 15.225  30.449   0.17    26.2     8      206.8     1007.6
   25   2   2   2 15.79   31.581   0.177   24.22    8      439.7     4211.4
   26   3   0   2 16.446  32.892   0.184   22.18    8      165.0      543.2
   27   2   0   3 16.553  33.105   0.185   21.87    8      272.3     1458.4
   28   2   3   1 17.017  34.034   0.19    20.6     8      264.8     1298.9
   29   3   2   1 17.017  34.034   0.19    20.6     8      213.9      847.3
   30   1   3   2 17.079  34.158   0.191   20.43    8       24.1       10.7
   31   3   1   2 17.079  34.158   0.191   20.43    8       70.7       91.9
   32   1   2   3 17.182  34.365   0.192   20.17    8       27.2       13.4
   33   2   1   3 17.182  34.365   0.192   20.17    8       32.4       19.0
   34   4   0   0 18.209  36.418   0.203   17.76    4      445.6     1586.3
   35   0   0   4 18.52   37.041   0.206   17.11    2      238.3      218.5
   36   4   0   1 18.809  37.619   0.209   16.54    8       63.0       59.1
   37   2   3   2 18.866  37.733   0.21    16.43    8        9.9        1.5
   38   3   2   2 18.866  37.733   0.21    16.43    8        2.5        0.1
   39   2   2   3 18.961  37.922   0.211   16.25    8      289.1     1221.4
   40   1   0   4 19.093  38.187   0.212   16.0     8      149.5      321.9
   41   3   3   0 19.356  38.713   0.215   15.52    4       80.5       45.3
   42   1   4   1 19.375  38.75    0.215   15.49    8       82.8       95.6
   43   4   1   1 19.375  38.75    0.215   15.49    8       40.8       23.2
   44   3   0   3 19.523  39.046   0.217   15.23    8      116.6      186.3
   45   1   1   4 19.652  39.304   0.218   15.01    8       32.1       13.9
   46   3   3   1 19.927  39.854   0.221   14.55    8      233.5      713.9
   47   1   3   3 20.072  40.144   0.223   14.32    8      277.4      991.7
   48   3   1   3 20.072  40.144   0.223   14.32    8      255.4      840.3
   49   2   4   0 20.449  40.898   0.227   13.74    4      207.3      265.6
   50   4   2   0 20.449  40.898   0.227   13.74    4      128.8      102.6
   51   4   0   2 20.52   41.04    0.228   13.63    8      167.5      344.2
   52   2   0   4 20.731  41.463   0.23    13.32    8      228.3      624.7
   53   2   4   1 20.995  41.989   0.233   12.95    8      105.7      130.1
   54   4   2   1 20.995  41.989   0.233   12.95    8       85.0       84.2
   55   1   4   2 21.047  42.094   0.233   12.88    8       11.1        1.4
   56   4   1   2 21.047  42.094   0.233   12.88    8       16.2        3.0
   57   1   2   4 21.254  42.508   0.235   12.6     8        0.4        0.0
   58   2   1   4 21.254  42.508   0.235   12.6     8       52.6       31.3
   59   3   3   2 21.563  43.127   0.239   12.2     8       22.4        5.5
   60   2   3   3 21.648  43.297   0.239   12.09    8       68.7       51.4
   61   3   2   3 21.648  43.297   0.239   12.09    8      101.5      112.0
   62   2   4   2 22.568  45.136   0.249   11.01    8      125.1      155.1
   63   4   2   2 22.568  45.136   0.249   11.01    8      178.8      316.7
   64   2   2   4 22.764  45.528   0.251   10.8     8      125.6      153.2
   65   4   0   3 23.138  46.275   0.255   10.41    8       28.0        7.4
   66   3   0   4 23.25   46.5     0.256   10.29    8       25.4        6.0
   67   0   0   5 23.394  46.788   0.258   10.15    2       44.0        4.4
   68   1   5   0 23.475  46.949   0.259   10.07    4       25.4        2.9
   69   5   1   0 23.475  46.949   0.259   10.07    4      171.9      133.9
   70   3   4   1 23.491  46.981   0.259   10.06    8       12.5        1.4
   71   4   3   1 23.491  46.981   0.259   10.06    8      116.8      123.4
   72   5   0   1 23.491  46.981   0.259   10.06    8      101.7       93.6
   73   1   4   3 23.618  47.235   0.26     9.93    8      142.8      182.3
   74   4   1   3 23.618  47.235   0.26     9.93    8       87.9       69.0
   75   1   3   4 23.728  47.457   0.261    9.83    8       16.7        2.5
   76   3   1   4 23.728  47.457   0.261    9.83    8       20.0        3.5
   77   1   0   5 23.87   47.74    0.263    9.7     8       45.8       18.3
   78   1   5   1 23.965  47.93    0.264    9.61    8      245.8      522.3
   79   5   1   1 23.965  47.93    0.264    9.61    8      166.9      240.8
   80   3   3   3 24.09   48.181   0.265    9.5     8      270.0      622.8
   81   1   1   5 24.339  48.678   0.268    9.28    8      215.0      386.0
   82   3   4   2 24.94   49.879   0.274    8.78    8        3.4        0.1
   83   4   3   2 24.94   49.879   0.274    8.78    8       24.9        4.9
   84   5   0   2 24.94   49.879   0.274    8.78    8      164.1      212.6
   85   2   4   3 25.016  50.031   0.274    8.72    8      100.5       79.2
   86   4   2   3 25.016  50.031   0.274    8.72    8      123.3      119.2
   87   2   3   4 25.122  50.243   0.276    8.63    8       99.2       76.4
   88   3   2   4 25.122  50.243   0.276    8.63    8       31.1        7.5
   89   2   0   5 25.258  50.515   0.277    8.53    8        1.3        0.0
   90   2   5   1 25.349  50.698   0.278    8.46    8      124.5      118.0
   91   5   2   1 25.349  50.698   0.278    8.46    8       54.5       22.6
   92   1   5   2 25.394  50.788   0.278    8.42    8       58.0       25.5
   93   5   1   2 25.394  50.788   0.278    8.42    8      113.5       97.7
   94   1   2   5 25.708  51.415   0.282    8.19    8       97.6       70.2
   95   2   1   5 25.708  51.415   0.282    8.19    8      162.1      193.6
   96   4   4   0 26.227  52.453   0.287    7.83    4      500.2      880.9
   97   4   0   4 26.461  52.921   0.289    7.67    8      454.2     1423.8
   98   4   4   1 26.68   53.359   0.291    7.53    8      116.2       91.5
   99   2   5   2 26.723  53.446   0.292    7.5     8      192.3      249.6
  100   5   2   2 26.723  53.446   0.292    7.5     8      114.7       88.8
  101   1   4   4 26.896  53.793   0.294    7.39    8      130.3      112.8
  102   4   1   4 26.896  53.793   0.294    7.39    8      124.0      102.2
  103   2   2   5 27.026  54.052   0.295    7.31    8      126.2      104.7
  104   3   5   0 27.099  54.197   0.296    7.27    4      111.7       40.8
  105   5   3   0 27.099  54.197   0.296    7.27    4      120.1       47.2
  106   3   4   3 27.228  54.455   0.297    7.19    8       36.3        8.5
  107   4   3   3 27.228  54.455   0.297    7.19    8       74.9       36.3
  108   5   0   3 27.228  54.455   0.297    7.19    8      128.6      107.0
  109   3   3   4 27.327  54.655   0.298    7.13    8      111.6       79.8
  110   3   0   5 27.456  54.911   0.299    7.05    8      156.6      155.6
  111   3   5   1 27.542  55.083   0.3      7.0     8      250.9      396.7
  112   5   3   1 27.542  55.083   0.3      7.0     8      296.9      555.3
  113   1   5   3 27.655  55.31    0.301    6.94    8      149.0      138.6
  114   5   1   3 27.655  55.31    0.301    6.94    8      310.8      602.9
  115   1   3   5 27.881  55.761   0.304    6.81    8      230.4      325.3
  116   3   1   5 27.881  55.761   0.304    6.81    8      225.4      311.3
  117   6   0   0 27.952  55.904   0.304    6.77    4      283.8      245.3
  118   4   4   2 28.008  56.016   0.305    6.74    8      167.3      169.8
  119   2   4   4 28.176  56.352   0.307    6.65    8      100.5       60.4
  120   4   2   4 28.176  56.352   0.307    6.65    8      109.7       72.0
  121   6   0   1 28.386  56.772   0.309    6.54    8      125.4       92.6
  122   0   0   6 28.455  56.909   0.309    6.5     2      444.4      288.9
  123   1   6   1 28.802  57.604   0.313    6.33    8        9.9        0.6
  124   6   1   1 28.802  57.604   0.313    6.33    8      143.5      117.2
  125   3   5   2 28.843  57.687   0.313    6.31    8       66.7       25.2
  126   5   3   2 28.843  57.687   0.313    6.31    8       43.6       10.8
  127   1   0   6 28.87   57.74    0.313    6.29    8       21.8        2.7
  128   2   5   3 28.912  57.824   0.314    6.27    8        8.6        0.4
  129   5   2   3 28.912  57.824   0.314    6.27    8        1.7        0.0
  130   2   3   5 29.131  58.263   0.316    6.17    8        3.1        0.1
  131   3   2   5 29.131  58.263   0.316    6.17    8       54.8       16.6
  132   1   1   6 29.282  58.563   0.317    6.1     8       38.2        8.0
  133   2   6   0 29.609  59.219   0.321    5.95    4       32.8        2.9
  134   6   2   0 29.609  59.219   0.321    5.95    4      137.6       50.6
  135   6   0   2 29.664  59.327   0.321    5.92    8       63.8       21.7
  136   2   6   1 30.028  60.056   0.325    5.76    8       70.1       25.5
  137   6   2   1 30.028  60.056   0.325    5.76    8       52.0       14.0
  138   1   6   2 30.068  60.137   0.325    5.74    8       61.6       19.6
  139   6   1   2 30.068  60.137   0.325    5.74    8       51.4       13.7
  140   2   0   6 30.094  60.189   0.325    5.73    8       60.3       18.7
  141   4   4   3 30.135  60.271   0.326    5.72    8       16.5        1.4
  142   3   4   4 30.229  60.458   0.327    5.68    8       51.8       13.7
  143   4   3   4 30.229  60.458   0.327    5.68    8       29.1        4.3
  144   5   0   4 30.229  60.458   0.327    5.68    8      287.8      422.9
  145   4   0   5 30.349  60.699   0.328    5.63    8      187.9      178.7
  146   4   5   1 30.43   60.86    0.329    5.59    8        0.9        0.0
  147   5   4   1 30.43   60.86    0.329    5.59    8      214.9      232.4
  148   1   2   6 30.496  60.992   0.329    5.57    8      110.3       60.9
  149   2   1   6 30.496  60.992   0.329    5.57    8      148.6      110.5
  150   1   5   4 30.629  61.259   0.331    5.51    8       53.1       14.0
  151   5   1   4 30.629  61.259   0.331    5.51    8       52.8       13.8
  152   1   4   5 30.749  61.497   0.332    5.46    8       25.1        3.1
  153   4   1   5 30.749  61.497   0.332    5.46    8       16.9        1.4
  154   3   5   3 30.935  61.869   0.334    5.39    8      129.2       80.9
  155   5   3   3 30.935  61.869   0.334    5.39    8       25.6        3.2
  156   3   3   5 31.145  62.29    0.336    5.31    8       90.4       39.1
  157   2   6   2 31.264  62.528   0.337    5.27    8      470.7     1050.0
  158   6   2   2 31.264  62.528   0.337    5.27    8      416.9      823.7
  159   4   5   2 31.657  63.314   0.341    5.13    8       76.4       26.9
  160   5   4   2 31.657  63.314   0.341    5.13    8        3.9        0.1
  161   2   2   6 31.682  63.364   0.341    5.12    8      430.6      853.5
  162   6   0   3 31.722  63.444   0.341    5.1     8       29.2        3.9
  163   2   5   4 31.813  63.626   0.342    5.07    8      125.9       72.3
  164   5   2   4 31.813  63.626   0.342    5.07    8       61.7       17.4
  165   2   4   5 31.93   63.859   0.343    5.03    8       76.7       26.6
  166   4   2   5 31.93   63.859   0.343    5.03    8       81.8       30.3
  167   3   6   1 32.008  64.016   0.344    5.0     8       76.0       26.0
  168   6   3   1 32.008  64.016   0.344    5.0     8       26.0        3.0
  169   3   0   6 32.072  64.144   0.345    4.98    8       19.0        1.6
  170   1   6   3 32.111  64.223   0.345    4.97    8       10.1        0.5
  171   6   1   3 32.111  64.223   0.345    4.97    8       50.3       11.3
  172   1   3   6 32.459  64.918   0.348    4.85    8       22.6        2.2
  173   3   1   6 32.459  64.918   0.348    4.85    8       76.0       25.2
  174   4   4   4 32.972  65.945   0.353    4.69    8      331.2      463.1
  175   3   6   2 33.202  66.404   0.355    4.62    8       90.6       34.2
  176   6   3   2 33.202  66.404   0.355    4.62    8       40.2        6.7
  177   2   6   3 33.266  66.531   0.356    4.61    8       61.9       15.9
  178   6   2   3 33.266  66.531   0.356    4.61    8      108.3       48.6
  179   1   7   0 33.532  67.064   0.359    4.53    4       46.1        4.3
  180   5   5   0 33.532  67.064   0.359    4.53    4      223.1      101.3
  181   7   1   0 33.532  67.064   0.359    4.53    4      180.0       66.0
  182   7   0   1 33.545  67.089   0.359    4.52    8      121.3       59.9
  183   2   3   6 33.607  67.214   0.359    4.51    8       89.2       32.2
  184   3   2   6 33.607  67.214   0.359    4.51    8      132.6       71.3
  185   4   5   3 33.646  67.291   0.36     4.5     8       70.2       19.9
  186   5   4   3 33.646  67.291   0.36     4.5     8      110.4       49.3
  187   3   5   4 33.734  67.468   0.36     4.47    8       13.0        0.7
  188   5   3   4 33.734  67.468   0.36     4.47    8       67.4       18.3
  189   0   0   7 33.771  67.542   0.361    4.46    2      166.8       27.9
  190   3   4   5 33.847  67.694   0.362    4.44    8        3.5        0.0
  191   4   3   5 33.847  67.694   0.362    4.44    8       55.7       12.4
  192   5   0   5 33.847  67.694   0.362    4.44    8      179.7      128.9
  193   1   7   1 33.923  67.847   0.362    4.42    8      195.6      152.1
  194   5   5   1 33.923  67.847   0.362    4.42    8      132.9       70.2
  195   7   1   1 33.923  67.847   0.362    4.42    8      254.7      257.8
  196   1   0   7 34.148  68.296   0.364    4.36    8      168.3      111.1
  197   1   5   5 34.224  68.448   0.365    4.34    8      260.8      265.5
  198   5   1   5 34.224  68.448   0.365    4.34    8      147.6       85.0
  199   4   6   0 34.287  68.575   0.366    4.32    4      157.6       48.3
  200   6   4   0 34.287  68.575   0.366    4.32    4      113.1       24.9
  201   6   0   4 34.487  68.974   0.368    4.27    8       52.6       10.6
  202   1   1   7 34.524  69.047   0.368    4.26    8      178.7      122.4
  203   4   6   1 34.674  69.349   0.369    4.22    8      119.8       54.6
  204   6   4   1 34.674  69.349   0.369    4.22    8       82.0       25.5
  205   7   0   2 34.712  69.423   0.37     4.21    8      104.1       41.1
  206   4   0   6 34.736  69.472   0.37     4.21    8      194.4      143.1
  207   1   6   4 34.861  69.721   0.371    4.18    8        4.0        0.1
  208   6   1   4 34.861  69.721   0.371    4.18    8        3.5        0.0
  209   2   7   1 35.047  70.094   0.373    4.13    8      192.6      137.9
  210   7   2   1 35.047  70.094   0.373    4.13    8      177.2      116.8
  211   1   7   2 35.084  70.169   0.373    4.12    8       12.8        0.6
  212   5   5   2 35.084  70.169   0.373    4.12    8      155.9       90.1
  213   7   1   2 35.084  70.169   0.373    4.12    8      128.3       61.1
  214   1   4   6 35.108  70.217   0.373    4.12    8       48.8        8.8
  215   4   1   6 35.108  70.217   0.373    4.12    8       18.6        1.3
  216   3   6   3 35.146  70.292   0.374    4.11    8       63.5       14.9
  217   6   3   3 35.146  70.292   0.374    4.11    8        3.9        0.1
  218   2   0   7 35.269  70.538   0.375    4.08    8       67.3       16.6
  219   2   5   5 35.344  70.687   0.375    4.06    8      202.6      150.1
  220   5   2   5 35.344  70.687   0.375    4.06    8      130.2       62.0
  221   3   3   6 35.479  70.958   0.377    4.03    8       69.0       17.3
  222   1   2   7 35.639  71.278   0.378    4.0     8       38.7        5.4
  223   2   1   7 35.639  71.278   0.378    4.0     8       14.9        0.8
  224   4   6   2 35.824  71.649   0.38     3.96    8      104.3       38.7
  225   6   4   2 35.824  71.649   0.38     3.96    8      118.5       50.0
  226   2   6   4 35.971  71.943   0.381    3.93    8      212.2      159.1
  227   6   2   4 35.971  71.943   0.381    3.93    8      175.3      108.5
  228   2   7   2 36.192  72.384   0.383    3.88    8       60.6       12.8
  229   7   2   2 36.192  72.384   0.383    3.88    8       47.1        7.7
  230   2   4   6 36.216  72.431   0.384    3.87    8      121.4       51.4
  231   4   2   6 36.216  72.431   0.384    3.87    8       75.3       19.8
  232   4   5   4 36.338  72.677   0.385    3.85    8      165.8       95.2
  233   5   4   4 36.338  72.677   0.385    3.85    8       83.3       24.0
  234   4   4   5 36.448  72.896   0.386    3.83    8      143.3       70.7
  235   3   7   0 36.51   73.019   0.386    3.81    4       64.4        7.1
  236   7   3   0 36.51   73.019   0.386    3.81    4       76.3       10.0
  237   7   0   3 36.619  73.238   0.387    3.79    8       26.6        2.4
  238   2   2   7 36.74   73.479   0.388    3.77    8      150.9       77.2
  239   3   7   1 36.887  73.773   0.39     3.74    8      125.8       53.3
  240   7   3   1 36.887  73.773   0.39     3.74    8       86.3       25.1
  241   1   7   3 36.983  73.967   0.39     3.72    8      215.1      155.0
  242   5   5   3 36.983  73.967   0.39     3.72    8      295.0      291.5
  243   7   1   3 36.983  73.967   0.39     3.72    8       97.5       31.9
  244   3   0   7 37.104  74.207   0.392    3.7     8       80.7       21.7
  245   3   5   5 37.177  74.354   0.392    3.69    8      213.4      151.0
  246   5   3   5 37.177  74.354   0.392    3.69    8      304.3      307.2
  247   1   3   7 37.466  74.933   0.395    3.64    8      139.5       63.6
  248   3   1   7 37.466  74.933   0.395    3.64    8      180.1      106.1
  249   4   6   3 37.709  75.417   0.397    3.59    8       13.7        0.6
  250   6   4   3 37.709  75.417   0.397    3.59    8       89.3       25.8
  251   3   6   4 37.793  75.585   0.398    3.58    8       52.9        9.0
  252   6   3   4 37.793  75.585   0.398    3.58    8       16.2        0.8
  253   6   0   5 37.901  75.801   0.399    3.56    8      117.5       44.2
  254   5   6   1 37.973  75.947   0.399    3.55    8      157.0       78.7
  255   6   5   1 37.973  75.947   0.399    3.55    8       40.6        5.3
  256   3   7   2 38.009  76.019   0.4      3.54    8       50.0        8.0
  257   7   3   2 38.009  76.019   0.4      3.54    8       48.6        7.5
  258   3   4   6 38.033  76.065   0.4      3.54    8       36.5        4.3
  259   4   3   6 38.033  76.065   0.4      3.54    8       47.8        7.3
  260   5   0   6 38.033  76.065   0.4      3.54    8       72.8       16.9
  261   2   7   3 38.069  76.139   0.4      3.53    8       68.5       14.9
  262   7   2   3 38.069  76.139   0.4      3.53    8       76.9       18.8
  263   1   6   5 38.261  76.522   0.402    3.5     8       97.9       30.2
  264   6   1   5 38.261  76.522   0.402    3.5     8       49.4        7.7
  265   1   5   6 38.392  76.785   0.403    3.48    8       83.8       22.0
  266   5   1   6 38.392  76.785   0.403    3.48    8       75.9       18.0
  267   2   3   7 38.548  77.095   0.405    3.46    8      175.5       95.7
  268   3   2   7 38.548  77.095   0.405    3.46    8      112.2       39.1
  269   8   0   0 38.68   77.361   0.406    3.44    4      273.1      115.3
  270   8   0   1 39.05   78.1     0.409    3.38    8      139.4       59.1
  271   5   6   2 39.086  78.171   0.409    3.38    8       58.8       10.5
  272   6   5   2 39.086  78.171   0.409    3.38    8       30.6        2.9
  273   7   0   4 39.228  78.456   0.411    3.36    8       57.9       10.1
  274   2   6   5 39.335  78.67    0.411    3.34    8       11.8        0.4
  275   6   2   5 39.335  78.67    0.411    3.34    8       24.7        1.8
  276   1   8   1 39.407  78.814   0.412    3.33    8       42.4        5.4
  277   4   7   1 39.407  78.814   0.412    3.33    8       51.5        8.0
  278   7   4   1 39.407  78.814   0.412    3.33    8       65.8       13.0
  279   8   1   1 39.407  78.814   0.412    3.33    8       97.3       28.4
  280   0   0   8 39.441  78.882   0.412    3.33    2      140.9       14.9
  281   2   5   6 39.465  78.931   0.413    3.32    8      107.7       34.7
  282   5   2   6 39.465  78.931   0.413    3.32    8       88.7       23.5
  283   1   7   4 39.585  79.169   0.414    3.31    8       51.7        7.9
  284   5   5   4 39.585  79.169   0.414    3.31    8       33.6        3.4
  285   7   1   4 39.585  79.169   0.414    3.31    8       43.8        5.7
  286   4   0   7 39.619  79.239   0.414    3.3     8       84.8       21.4
  287   4   5   5 39.691  79.382   0.415    3.29    8       46.9        6.5
  288   5   4   5 39.691  79.382   0.415    3.29    8       44.8        6.0
  289   1   0   8 39.797  79.594   0.415    3.28    8      129.1       49.2
  290   3   7   3 39.858  79.715   0.416    3.27    8      298.0      261.4
  291   7   3   3 39.858  79.715   0.416    3.27    8      364.0      390.2
  292   1   4   7 39.975  79.95    0.417    3.26    8       75.0       16.5
  293   4   1   7 39.975  79.95    0.417    3.26    8       85.1       21.2
  294   2   8   0 40.106  80.213   0.418    3.24    4      252.2       92.7
  295   8   2   0 40.106  80.213   0.418    3.24    4      123.0       22.1
  296   1   1   8 40.152  80.304   0.419    3.24    8       34.3        3.4
  297   8   0   2 40.154  80.307   0.419    3.24    8      220.7      141.8
  298   4   6   4 40.295  80.59    0.42     3.22    8       89.6       23.2
  299   6   4   4 40.295  80.59    0.42     3.22    8      152.1       67.0
  300   3   3   7 40.33   80.659   0.42     3.21    8      222.2      142.8
  301   2   8   1 40.473  80.945   0.421    3.2     8      128.5       47.5
  302   8   2   1 40.473  80.945   0.421    3.2     8      113.3       36.9
  303   1   8   2 40.508  81.016   0.422    3.19    8       69.8       14.0
  304   4   7   2 40.508  81.016   0.422    3.19    8      104.2       31.2
  305   7   4   2 40.508  81.016   0.422    3.19    8       23.2        1.5
  306   8   1   2 40.508  81.016   0.422    3.19    8       59.0       10.0
  307   4   4   6 40.531  81.061   0.422    3.19    8      173.9       86.8
  308   2   7   4 40.649  81.298   0.423    3.18    8       87.2       21.7
  309   7   2   4 40.649  81.298   0.423    3.18    8        0.4        0.0
  310   2   0   8 40.86   81.72    0.425    3.15    8      170.9       82.8
  311   5   6   3 40.92   81.841   0.425    3.15    8       16.0        0.7
  312   6   5   3 40.92   81.841   0.425    3.15    8        1.7        0.0
  313   2   4   7 41.037  82.074   0.426    3.13    8      101.9       29.3
  314   4   2   7 41.037  82.074   0.426    3.13    8       80.8       18.4
  315   3   6   5 41.108  82.217   0.427    3.13    8      148.8       62.2
  316   6   3   5 41.108  82.217   0.427    3.13    8       91.6       23.6
  317   1   2   8 41.213  82.426   0.428    3.12    8       10.8        0.3
  318   2   1   8 41.213  82.426   0.428    3.12    8       17.7        0.9
  319   3   5   6 41.237  82.475   0.428    3.11    8      102.9       29.6
  320   5   3   6 41.237  82.475   0.428    3.11    8      206.7      119.6
  321   6   6   0 41.52   83.04    0.43     3.08    4      172.2       41.2
  322   2   8   2 41.567  83.134   0.431    3.08    8       41.2        4.7
  323   8   2   2 41.567  83.134   0.431    3.08    8      120.7       40.4
  324   6   6   1 41.884  83.768   0.433    3.05    8       52.0        7.4
  325   6   0   6 41.942  83.883   0.434    3.04    8      183.0       91.7
  326   8   0   3 41.978  83.955   0.434    3.04    8      105.5       30.4
  327   5   7   0 42.224  84.448   0.436    3.02    4       33.5        1.5
  328   7   5   0 42.224  84.448   0.436    3.02    4      180.2       44.1
  329   3   8   1 42.235  84.471   0.436    3.02    8       37.2        3.7
  330   8   3   1 42.235  84.471   0.436    3.02    8       42.4        4.9
  331   2   2   8 42.269  84.538   0.437    3.01    8      145.1       57.1
  332   1   6   6 42.293  84.586   0.437    3.01    8       74.2       14.9
  333   6   1   6 42.293  84.586   0.437    3.01    8      101.5       27.9
  334   1   8   3 42.329  84.658   0.437    3.01    8       80.6       17.6
  335   4   7   3 42.329  84.658   0.437    3.01    8       51.8        7.3
  336   7   4   3 42.329  84.658   0.437    3.01    8       45.0        5.5
  337   8   1   3 42.329  84.658   0.437    3.01    8       40.1        4.4
  338   3   7   4 42.411  84.821   0.438    3.0     8       81.9       18.1
  339   7   3   4 42.411  84.821   0.438    3.0     8       88.3       21.1
  340   7   0   5 42.516  85.032   0.439    2.99    8      119.2       38.2
  341   5   7   1 42.587  85.173   0.439    2.99    8      207.7      115.9
  342   7   5   1 42.587  85.173   0.439    2.99    8      212.2      121.0
  343   3   0   8 42.62   85.24    0.44     2.98    8      163.2       71.5
  344   3   4   7 42.796  85.592   0.441    2.97    8      101.9       27.7
  345   4   3   7 42.796  85.592   0.441    2.97    8       49.6        6.6
  346   5   0   7 42.796  85.592   0.441    2.97    8      231.3      143.0
  347   1   7   5 42.867  85.733   0.442    2.96    8      133.0       47.2
  348   5   5   5 42.867  85.733   0.442    2.96    8      138.4       51.1
  349   7   1   5 42.867  85.733   0.442    2.96    8      173.2       80.0
  350   1   3   8 42.971  85.942   0.442    2.96    8       37.6        3.8
  351   3   1   8 42.971  85.942   0.442    2.96    8        1.7        0.0
  352   6   6   2 42.972  85.945   0.442    2.96    8      340.3      307.9
  353   1   5   7 43.146  86.293   0.444    2.94    8      110.8       32.5
  354   5   1   7 43.146  86.293   0.444    2.94    8      111.7       33.0
  355   3   8   2 43.323  86.645   0.445    2.93    8       18.0        0.9
  356   8   3   2 43.323  86.645   0.445    2.93    8       21.6        1.2
  357   2   6   6 43.345  86.691   0.446    2.93    8      176.8       82.4
  358   6   2   6 43.345  86.691   0.446    2.93    8      261.0      179.4
  359   2   8   3 43.381  86.762   0.446    2.93    8       31.1        2.6
  360   8   2   3 43.381  86.762   0.446    2.93    8       14.5        0.6
  361   5   6   4 43.463  86.925   0.447    2.92    8      131.1       45.2
  362   6   5   4 43.463  86.925   0.447    2.92    8       24.6        1.6
  363   4   6   5 43.567  87.135   0.447    2.91    8      121.9       39.0
  364   6   4   5 43.567  87.135   0.447    2.91    8       55.8        8.2
  365   5   7   2 43.673  87.346   0.448    2.91    8       14.0        0.5
  366   7   5   2 43.673  87.346   0.448    2.91    8      100.3       26.3
  367   4   5   6 43.695  87.391   0.448    2.9     8       21.1        1.2
  368   5   4   6 43.695  87.391   0.448    2.9     8       45.7        5.4
  369   2   7   5 43.917  87.835   0.45     2.89    8       24.0        1.5
  370   7   2   5 43.917  87.835   0.45     2.89    8       79.0       16.2
  371   2   3   8 44.021  88.043   0.451    2.88    8       65.3       11.1
  372   3   2   8 44.021  88.043   0.451    2.88    8       70.4       12.9
  373   2   5   7 44.197  88.393   0.453    2.87    8       82.3       17.5
  374   5   2   7 44.197  88.393   0.453    2.87    8       11.1        0.3
  375   4   8   0 44.326  88.652   0.454    2.86    4      234.7       70.9
  376   8   4   0 44.326  88.652   0.454    2.86    4      387.2      193.1
  377   8   0   4 44.512  89.025   0.455    2.85    8      331.8      282.6
  378   4   8   1 44.688  89.375   0.456    2.84    8       98.9       25.0
  379   8   4   1 44.688  89.375   0.456    2.84    8       50.7        6.6
  380   6   6   3 44.781  89.561   0.457    2.84    8       91.0       21.2
  381   1   8   4 44.862  89.724   0.458    2.84    8      137.4       48.1
  382   4   7   4 44.862  89.724   0.458    2.84    8       11.0        0.3
  383   7   4   4 44.862  89.724   0.458    2.84    8      107.4       29.4
  384   8   1   4 44.862  89.724   0.458    2.84    8       23.6        1.4


  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   1   0   6.343  12.686  6.97207      128.7      1.6      1.6     5.6
    2   1   0   1   6.396  12.792  6.91481      283.8      3.4      3.4     5.6
    3   1   1   1   7.82   15.64   5.66138     8266.8    100.0    100.0     5.6
    4   2   0   0   8.989  17.978  4.93         138.5      1.7      1.7     5.6
    5   1   0   2  10.195  20.389  4.352        209.1      2.5      2.5     5.6
    6   1   2   1  11.063  22.126  4.01422      223.6      2.7      2.7     5.6
    7   2   2   0  12.766  25.531  3.48604     2056.5     24.9     24.7     5.6
    8   2   0   2  12.873  25.746  3.45741     2992.2     36.2     35.9     5.6
    9   2   1   2  13.656  27.312  3.26264      534.1      6.5      6.4     5.6
   10   0   0   3  13.782  27.564  3.23333      398.4      4.8      4.8     5.6
   11   3   0   1  14.327  28.654  3.11283     1838.5     22.2     22.0     5.6
   12   1   0   3  14.52   29.039  3.07236      165.7      2.0      2.0     5.6
   13   3   1   1  15.04   30.08   2.96842     2033.2     24.6     24.3     5.6
   14   1   1   3  15.225  30.449  2.93326     1007.6     12.2     12.1     5.6
   15   2   2   2  15.79   31.581  2.83069     4211.4     50.9     50.3     5.6
   16   3   0   2  16.446  32.892  2.72078      543.2      6.6      6.5     5.6
   17   2   0   3  16.553  33.105  2.70372     1458.4     17.6     17.4     5.6
   18   2   3   1  17.017  34.034  2.63207     2146.2     26.0     25.6     5.7
   19   3   1   2  17.079  34.158  2.62276      102.6      1.2      1.2     5.7
   20   4   0   0  18.209  36.418  2.465       1586.3     19.2     18.9     5.7
   21   0   0   4  18.52   37.041  2.425        218.5      2.6      2.6     5.7
   22   2   2   3  18.961  37.922  2.37062     1221.4     14.8     14.5     5.7
   23   1   0   4  19.093  38.187  2.35483      321.9      3.9      3.8     5.7
   24   1   4   1  19.375  38.75   2.32188      164.1      2.0      1.9     5.7
   25   3   0   3  19.523  39.046  2.30494      186.3      2.3      2.2     5.7
   26   3   3   1  19.927  39.854  2.26006      713.9      8.6      8.5     5.7
   27   1   3   3  20.072  40.144  2.24443     1832.0     22.2     21.7     5.7
   28   2   4   0  20.449  40.898  2.20476      368.1      4.5      4.4     5.7
   29   4   0   2  20.52   41.04   2.19747      344.2      4.2      4.1     5.7
   30   2   0   4  20.731  41.463  2.176        624.7      7.6      7.4     5.7
   31   2   4   1  20.995  41.989  2.14993      214.3      2.6      2.5     5.7
   32   3   2   3  21.648  43.297  2.088        163.4      2.0      1.9     5.7
   33   4   2   2  22.568  45.136  2.00711      471.7      5.7      5.6     5.7
   34   2   2   4  22.764  45.528  1.99071      153.2      1.9      1.8     5.7
   35   5   0   1  23.491  46.981  1.93247      355.3      4.3      4.2     5.7
   36   1   4   3  23.618  47.235  1.92267      251.3      3.0      3.0     5.7
   37   1   5   1  23.965  47.93   1.89639      763.1      9.2      9.0     5.7
   38   3   3   3  24.09   48.181  1.88713      622.8      7.5      7.3     5.7
   39   1   1   5  24.339  48.678  1.869        386.0      4.7      4.5     5.7
   40   5   0   2  24.94   49.879  1.82677      217.5      2.6      2.6     5.7
   41   4   2   3  25.016  50.031  1.82158      198.5      2.4      2.3     5.7
   42   2   3   4  25.122  50.243  1.81438       84.0      1.0      1.0     5.8
   43   2   5   1  25.349  50.698  1.79918      140.5      1.7      1.6     5.8
   44   5   1   2  25.394  50.788  1.7962       123.2      1.5      1.4     5.8
   45   2   1   5  25.708  51.415  1.77574      263.7      3.2      3.1     5.8
   46   4   4   0  26.227  52.453  1.74302      880.9     10.7     10.3     5.8
   47   4   0   4  26.461  52.921  1.7287      1423.8     17.2     16.6     5.8
   48   4   4   1  26.68   53.359  1.71554       91.5      1.1      1.1     5.8
   49   2   5   2  26.723  53.446  1.71296      338.4      4.1      4.0     5.8
   50   1   4   4  26.896  53.793  1.70273      215.0      2.6      2.5     5.8
   51   2   2   5  27.026  54.052  1.69518      104.7      1.3      1.2     5.8
   52   5   3   0  27.099  54.197  1.69098       87.9      1.1      1.0     5.8
   53   5   0   3  27.228  54.455  1.68358      151.8      1.8      1.8     5.8
   54   3   0   5  27.456  54.911  1.67067      155.6      1.9      1.8     5.8
   55   5   3   1  27.542  55.083  1.66585      952.1     11.5     11.1     5.8
   56   5   1   3  27.655  55.31   1.65956      741.4      9.0      8.6     5.8
   57   1   3   5  27.881  55.761  1.64719      636.6      7.7      7.4     5.8
   58   6   0   0  27.952  55.904  1.64333      245.3      3.0      2.9     5.8
   59   4   4   2  28.008  56.016  1.64031      169.8      2.1      2.0     5.8
   60   4   2   4  28.176  56.352  1.63132      132.4      1.6      1.5     5.8
   61   6   0   1  28.386  56.772  1.62025       92.6      1.1      1.1     5.8
   62   0   0   6  28.455  56.909  1.61667      288.9      3.5      3.4     5.8
   63   6   1   1  28.802  57.604  1.5988       117.2      1.4      1.4     5.8
   64   5   0   4  30.229  60.458  1.52998      440.9      5.3      5.1     5.8
   65   4   0   5  30.349  60.699  1.52449      178.7      2.2      2.1     5.8
   66   5   4   1  30.43   60.86   1.52083      232.4      2.8      2.7     5.8
   67   2   1   6  30.496  60.992  1.51787      171.4      2.1      2.0     5.8
   68   3   5   3  30.935  61.869  1.49843       84.1      1.0      1.0     5.8
   69   2   6   2  31.264  62.528  1.48421     1873.7     22.7     21.6     5.8
   70   2   2   6  31.682  63.364  1.46663      880.5     10.7     10.1     5.9
   71   2   5   4  31.813  63.626  1.46123       89.6      1.1      1.0     5.9
   72   4   4   4  32.972  65.945  1.41534      463.1      5.6      5.3     5.9
   73   7   0   1  33.545  67.089  1.39395      231.6      2.8      2.7     5.9
   74   3   2   6  33.607  67.214  1.39167      103.5      1.3      1.2     5.9
   75   5   0   5  33.847  67.694  1.38296      141.3      1.7      1.6     5.9
   76   7   1   1  33.923  67.847  1.38023      480.2      5.8      5.5     5.9
   77   1   0   7  34.148  68.296  1.37223      111.1      1.3      1.3     5.9
   78   1   5   5  34.224  68.448  1.36956      350.5      4.2      4.0     5.9
   79   1   1   7  34.524  69.047  1.35913      122.4      1.5      1.4     5.9
   80   4   0   6  34.736  69.472  1.35186      184.2      2.2      2.1     5.9
   81   2   7   1  35.047  70.094  1.34136      254.6      3.1      2.9     5.9
   82   5   5   2  35.084  70.169  1.34013      161.3      2.0      1.8     5.9
   83   2   5   5  35.344  70.687  1.33156      212.1      2.6      2.4     5.9
   84   6   4   2  35.824  71.649  1.31604       88.7      1.1      1.0     5.9
   85   2   6   4  35.971  71.943  1.31138      267.6      3.2      3.0     5.9
   86   4   2   6  36.216  72.431  1.30373       91.7      1.1      1.0     5.9
   87   4   5   4  36.338  72.677  1.29993      119.2      1.4      1.4     6.0
   88   5   5   3  36.983  73.967  1.28042      478.4      5.8      5.4     6.0
   89   5   3   5  37.177  74.354  1.27471      458.3      5.5      5.2     6.0
   90   3   1   7  37.466  74.933  1.26629      169.7      2.1      1.9     6.0
   91   5   6   1  37.973  75.947  1.25189       84.0      1.0      0.9     6.0
   92   2   3   7  38.548  77.095  1.23608      134.9      1.6      1.5     6.0
   93   8   0   0  38.68   77.361  1.2325       115.3      1.4      1.3     6.0
   94   7   3   3  39.858  79.715  1.20191      651.6      7.9      7.3     6.0
   95   2   8   0  40.106  80.213  1.1957       114.8      1.4      1.3     6.0
   96   8   0   2  40.154  80.307  1.19453      145.2      1.8      1.6     6.0
   97   6   4   4  40.295  80.59   1.19105       90.2      1.1      1.0     6.1
   98   3   3   7  40.33   80.659  1.1902       142.8      1.7      1.6     6.1
   99   2   8   1  40.473  80.945  1.18672       84.4      1.0      0.9     6.1
  100   4   4   6  40.531  81.061  1.18531      143.5      1.7      1.6     6.1
  101   2   0   8  40.86   81.72   1.17741       82.8      1.0      0.9     6.1
  102   3   6   5  41.108  82.217  1.17156       85.8      1.0      1.0     6.1
  103   5   3   6  41.237  82.475  1.16854      149.3      1.8      1.7     6.1
  104   6   0   6  41.942  83.883  1.15247       91.7      1.1      1.0     6.1
  105   2   2   8  42.269  84.538  1.14521       99.9      1.2      1.1     6.1
  106   7   5   1  42.587  85.173  1.13828      236.9      2.9      2.6     6.1
  107   5   0   7  42.796  85.592  1.13378      177.3      2.1      2.0     6.1
  108   7   1   5  42.867  85.733  1.13228      178.2      2.2      2.0     6.1
  109   6   6   2  42.972  85.945  1.13003      311.6      3.8      3.4     6.1
  110   6   2   6  43.345  86.691  1.12221      263.0      3.2      2.9     6.1
  111   8   4   0  44.326  88.652  1.10238      264.1      3.2      2.9     6.2
  112   8   0   4  44.512  89.025  1.09873      282.6      3.4      3.1     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)