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       ***
                  ***********************
MOYDITE_Y

1

(Y,TR)[B(OH)(4)][CO(3)]


Orthorhombic  P bca  Z = 8

R =0.051

19 .4 .1990

Ref.Str.:

         J.D. Grice, T.S. Ercit (1986)

         * Canad. Mineral., 24, 665-773, 675-678

Reserv:

         Some O - O dist. are short (2.16, 2.2)

                   Initial data from BDM-file 

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

             a =   9.089    alpha =   90.0 
             b =  12.244    beta  =   90.0 
             c =   8.926    gamma =   90.0 

    Unit cell volume (cub. angs.) =   993.34

    Molar volume ( cub.cm/mol.) =    74.79

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

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

   1 0.0146  0.4991  0.2272   0.0    Y     = 1.00
   2 0.0032  0.249   0.2415   0.0    B     = 1.00
   3 0.2622  0.5454  0.0268   0.0    C     = 1.00
   4 0.7208  0.4688  0.8308   0.0    O     = 1.00
   5 0.8733  0.455   0.0164   0.0    O     = 1.00
   6 0.368   0.5565  0.9383   0.0    O     = 1.00
   7 0.1019  0.3172  0.1534   0.0    O     = 1.00
   8 0.9056  0.3256  0.3258   0.0    O     = 1.00
   9 0.0879  0.1796  0.3505   0.0    O     = 1.00
  10 0.9156  0.17    0.1538   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0146     0.4991     0.2272
     2       2     0.0032     0.249      0.2415
     3       3     0.2622     0.5454     0.0268
     4       4     0.7208     0.4688     0.8308
     5       5     0.8733     0.455      0.0164
     6       6     0.368      0.5565     0.9383
     7       7     0.1019     0.3172     0.1534
     8       8     0.9056     0.3256     0.3258
     9       9     0.0879     0.1796     0.3505
    10      10     0.9156     0.17       0.1538
    11       1     0.4854     0.5009     0.7272
    12       2     0.4968     0.751      0.7415
    13       3     0.2378     0.4546     0.5268
    14       4     0.7792     0.5312     0.3308
    15       5     0.6267     0.545      0.5164
    16       6     0.132      0.4435     0.4383
    17       7     0.3981     0.6828     0.6534
    18       8     0.5944     0.6744     0.8258
    19       9     0.4121     0.8204     0.8505
    20      10     0.5844     0.83       0.6538
    21       1     0.4854     0.9991     0.2272
    22       2     0.4968     0.749      0.2415
    23       3     0.2378     0.0454     0.0268
    24       4     0.7792     0.9688     0.8308
    25       5     0.6267     0.955      0.0164
    26       6     0.132      0.0565     0.9383
    27       7     0.3981     0.8172     0.1534
    28       8     0.5944     0.8256     0.3258
    29       9     0.4121     0.6796     0.3505
    30      10     0.5844     0.67       0.1538
    31       1     0.0146     0.0009     0.7272
    32       2     0.0032     0.251      0.7415
    33       3     0.2622     0.9546     0.5268
    34       4     0.7208     0.0312     0.3308
    35       5     0.8733     0.045      0.5164
    36       6     0.368      0.9435     0.4383
    37       7     0.1019     0.1828     0.6534
    38       8     0.9056     0.1744     0.8258
    39       9     0.0879     0.3204     0.8505
    40      10     0.9156     0.33       0.6538
    41       1     0.5146     0.4991     0.2728
    42       2     0.5032     0.249      0.2585
    43       3     0.7622     0.5454     0.4732
    44       4     0.2208     0.4688     0.6692
    45       5     0.3733     0.455      0.4836
    46       6     0.868      0.5565     0.5617
    47       7     0.6019     0.3172     0.3466
    48       8     0.4056     0.3256     0.1742
    49       9     0.5879     0.1796     0.1495
    50      10     0.4156     0.17       0.3462
    51       1     0.9854     0.5009     0.7728
    52       2     0.9968     0.751      0.7585
    53       3     0.7378     0.4546     0.9732
    54       4     0.2792     0.5312     0.1692
    55       5     0.1267     0.545      0.9836
    56       6     0.632      0.4435     0.0617
    57       7     0.8981     0.6828     0.8466
    58       8     0.0944     0.6744     0.6742
    59       9     0.9121     0.8204     0.6495
    60      10     0.0844     0.83       0.8462
    61       1     0.9854     0.9991     0.2728
    62       2     0.9968     0.749      0.2585
    63       3     0.7378     0.0454     0.4732
    64       4     0.2792     0.9688     0.6692
    65       5     0.1267     0.955      0.4836
    66       6     0.632      0.0565     0.5617
    67       7     0.8981     0.8172     0.3466
    68       8     0.0944     0.8256     0.1742
    69       9     0.9121     0.6796     0.1495
    70      10     0.0844     0.67       0.3462
    71       1     0.5146     0.0009     0.7728
    72       2     0.5032     0.251      0.7585
    73       3     0.7622     0.9546     0.9732
    74       4     0.2208     0.0312     0.1692
    75       5     0.3733     0.045      0.9836
    76       6     0.868      0.9435     0.0617
    77       7     0.6019     0.1828     0.8466
    78       8     0.4056     0.1744     0.6742
    79       9     0.5879     0.3204     0.6495
    80      10     0.4156     0.33       0.8462


X-ray density (g/cm cub.)   =      2.99

MU (1/cm) =     177.574    Mass attenuation coefficient (cm**2/g) =     59.371

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

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

    1    Y                   2.796        9
                                                 2.3412       5
                                                 2.4544       7
                                                 2.5038       8
                                                 2.3637       4
                                                 2.2699       6
                                                 2.4912       4
                                                 2.4661       5
                                                 2.4966       9
                                                 2.4309      10
    2    B                   1.872        4
                                                 1.4562       7
                                                 1.4942       8
                                                 1.5038       9
                                                 1.4773      10
    3    C                   1.872        3
                                                 1.2519       6
                                                 1.2922       4
                                                 1.2905       5
    4    O                   3.264        9
                                                 2.1666       5
                                                 3.0786       5
                                                 2.7675       8
                                                 2.9187      10
                                                 2.9517       6
                                                 2.235        6
                                                 3.0793       7
                                                 2.7165       9
                                                 3.2561      10
    5    O                   3.264        9
                                                 2.1666       4
                                                 2.9426       7
                                                 3.1974       8
                                                 3.0786       4
                                                 2.9518       9
                                                 2.5699       5
                                                 2.2346       6
                                                 3.1824       7
                                                 3.0163       9
    6    O                   3.264        8
                                                 2.9888       7
                                                 2.7068       8
                                                 3.0822      10
                                                 2.9517       4
                                                 2.235        4
                                                 2.2346       5
                                                 2.9808       6
                                                 2.9247      10
    7    O                   3.264        9
                                                 2.9426       5
                                                 2.3584       8
                                                 2.4392       9
                                                 2.473       10
                                                 2.9888       6
                                                 2.707        9
                                                 2.7685       8
                                                 3.0793       4
                                                 3.1824       5
    8    O                   3.264        8
                                                 3.1974       5
                                                 2.3584       7
                                                 2.4474       9
                                                 2.4485      10
                                                 2.7675       4
                                                 2.7068       6
                                                 2.9296      10
                                                 2.7685       7
    9    O                   3.264        8
                                                 2.4392       7
                                                 2.4474       8
                                                 2.3556      10
                                                 2.9518       5
                                                 2.707        7
                                                 2.981       10
                                                 3.0163       5
                                                 2.7165       4
   10    O                   3.264        9
                                                 2.473        7
                                                 2.4485       8
                                                 2.3556       9
                                                 3.0822       6
                                                 2.9187       4
                                                 2.9296       8
                                                 2.981        9
                                                 3.2561       4
                                                 2.9247       6

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

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

    1   0   2   0  7.228  14.456   0.082  123.38    2      296.0     2191.6
    2   1   1   1  7.836  15.672   0.088  104.65    8       36.7      114.1
    3   0   2   1  8.776  17.552   0.099   82.98    4        1.8        0.1
    4   2   0   0  9.759  19.517   0.11    66.7     2      295.1     1177.7
    5   0   0   2  9.939  19.877   0.112   64.22    2      281.5     1031.2
    6   1   2   1 10.051  20.103   0.113   62.74    8       24.4       30.4
    7   2   1   0 10.416  20.832   0.117   58.28    4       16.1        6.1
    8   1   0   2 11.086  22.171   0.125   51.2     4       31.5       20.5
    9   2   1   1 11.557  23.113   0.13    46.95    8       43.6       72.4
   10   1   1   2 11.672  23.344   0.131   45.98    8        1.8        0.1
   11   2   2   0 12.186  24.373   0.137   42.01    4       99.9      170.0
   12   0   2   2 12.333  24.665   0.139   40.97    4       99.0      162.8
   13   1   3   1 12.954  25.907   0.146   36.94    8       36.8       40.6
   14   2   2   1 13.182  26.365   0.148   35.6     8       11.7        4.0
   15   1   2   2 13.284  26.569   0.149   35.03    8       26.3       19.6
   16   2   0   2 13.999  27.998   0.157   31.34    4      311.2     1230.4
   17   2   1   2 14.475  28.949   0.162   29.19    8        7.0        1.1
   18   0   4   0 14.575  29.15    0.163   28.76    2      305.1      542.7
   19   2   3   0 14.695  29.39    0.165   28.26    4        3.9        0.2
   20   0   4   1 15.428  30.856   0.173   25.46    4       11.9        1.5
   21   2   3   1 15.542  31.084   0.174   25.06    8       40.0       32.6
   22   1   3   2 15.63   31.26    0.175   24.76    8       10.6        2.3
   23   2   2   2 15.823  31.646   0.177   24.11    8      200.1      782.8
   24   3   1   1 16.008  32.015   0.179   23.52    8       50.1       47.8
   25   1   4   1 16.213  32.425   0.181   22.88    8      161.7      484.7
   26   1   1   3 16.235  32.47    0.181   22.81    8       72.5       97.1
   27   0   2   3 16.729  33.458   0.187   21.37    4        8.8        0.7
   28   3   2   1 17.248  34.496   0.192   20.0     8       67.7       74.3
   29   1   2   3 17.461  34.923   0.195   19.47    8       99.7      156.9
   30   2   4   0 17.662  35.324   0.197   18.99    4      197.2      299.3
   31   0   4   2 17.767  35.534   0.198   18.75    4      216.4      355.9
   32   2   3   2 17.868  35.735   0.199   18.52    8        3.5        0.2
   33   3   0   2 17.896  35.792   0.199   18.45    4       58.5       25.6
   34   3   1   2 18.28   36.561   0.204   17.61    8        1.1        0.0
   35   2   4   1 18.387  36.774   0.205   17.39    8       41.9       24.7
   36   2   1   3 18.407  36.815   0.205   17.34    8        9.7        1.3
   37   1   4   2 18.463  36.926   0.206   17.23    8       34.1       16.3
   38   3   3   1 19.159  38.318   0.213   15.88    8       46.2       27.5
   39   1   3   3 19.354  38.707   0.215   15.53    8       84.9       90.7
   40   3   2   2 19.394  38.787   0.216   15.46    8       35.0       15.3
   41   2   2   3 19.514  39.029   0.217   15.25    8        7.0        0.6
   42   1   5   1 19.695  39.389   0.219   14.94    8       51.6       32.2
   43   4   0   0 19.816  39.631   0.22    14.74    2       97.9       28.6
   44   4   1   0 20.169  40.337   0.224   14.17    4       13.6        1.1
   45   0   0   4 20.193  40.386   0.224   14.13    2      145.4       60.6
   46   2   4   2 20.43   40.859   0.227   13.77    8      227.9      580.0
   47   4   1   1 20.819  41.638   0.231   13.2     8      103.3      114.2
   48   1   0   4 20.82   41.64    0.231   13.2     4       86.0       39.6
   49   2   5   0 20.935  41.871   0.232   13.04    4       31.8        5.4
   50   3   3   2 21.138  42.277   0.234   12.76    8        5.0        0.3
   51   1   1   4 21.159  42.318   0.234   12.73    8        5.5        0.3
   52   0   4   3 21.164  42.328   0.234   12.72    4       50.4       13.1
   53   4   2   0 21.198  42.396   0.235   12.68    4      245.8      310.5
   54   2   3   3 21.251  42.502   0.235   12.61    8       40.8       17.0
   55   0   2   4 21.555  43.111   0.238   12.21    4      270.6      362.4
   56   2   5   1 21.567  43.134   0.239   12.2     8       28.4        8.0
   57   3   4   1 21.591  43.183   0.239   12.16    8       96.1       91.0
   58   3   1   3 21.609  43.218   0.239   12.14    8      119.9      141.5
   59   1   5   2 21.633  43.267   0.239   12.11    8        6.0        0.4
   60   1   4   3 21.768  43.536   0.241   11.94    8       53.1       27.3
   61   4   2   1 21.823  43.647   0.241   11.88    8       33.6       10.9
   62   1   2   4 22.151  44.302   0.245   11.48    8       54.6       27.8
   63   0   6   0 22.177  44.353   0.245   11.45    2      338.5      266.0
   64   4   0   2 22.359  44.717   0.247   11.25    4      238.4      259.1
   65   3   2   3 22.585  45.17    0.249   10.99    8      139.3      173.0
   66   2   0   4 22.616  45.232   0.25    10.96    4      159.2      112.6
   67   4   1   2 22.679  45.358   0.25    10.89    8        6.5        0.4
   68   0   6   1 22.781  45.561   0.251   10.78    4        2.5        0.0
   69   4   3   0 22.83   45.659   0.252   10.73    4       32.4        4.6
   70   2   1   4 22.934  45.867   0.253   10.62    8       27.4        6.5
   71   1   6   1 23.351  46.703   0.257   10.19    8       70.9       41.5
   72   2   5   2 23.379  46.758   0.258   10.17    8       26.2        5.7
   73   3   4   2 23.402  46.804   0.258   10.14    8        1.5        0.0
   74   4   3   1 23.42   46.84    0.258   10.13    8      101.4       84.4
   75   2   4   3 23.506  47.012   0.259   10.04    8        9.2        0.7
   76   4   2   2 23.62   47.24    0.26     9.93    8      253.1      515.8
   77   1   3   4 23.731  47.461   0.261    9.83    8       16.6        2.2
   78   2   2   4 23.867  47.734   0.263    9.7     8      188.4      279.3
   79   3   3   3 24.142  48.285   0.265    9.45    8      119.2      108.9
   80   3   5   1 24.429  48.857   0.268    9.2     8       21.4        3.4
   81   2   6   0 24.442  48.884   0.269    9.19    4      244.0      221.7
   82   0   6   2 24.523  49.045   0.269    9.12    4      274.8      279.2
   83   1   5   3 24.589  49.179   0.27     9.07    8       90.5       60.2
   84   4   4   0 24.973  49.945   0.274    8.75    4      250.9      223.3
   85   2   6   1 25.004  50.007   0.274    8.73    8       36.5        9.4
   86   1   6   2 25.063  50.126   0.275    8.68    8       26.0        4.8
   87   4   3   2 25.128  50.257   0.276    8.63    8        1.0        0.0
   88   0   4   4 25.288  50.577   0.277    8.51    4      232.1      185.7
   89   2   3   4 25.364  50.728   0.278    8.45    8       14.2        1.4
   90   3   0   4 25.386  50.772   0.278    8.43    4       60.0       12.3
   91   4   4   1 25.526  51.051   0.28     8.33    8       15.6        1.7
   92   4   1   3 25.541  51.082   0.28     8.31    8       70.1       33.1
   93   3   1   4 25.677  51.355   0.281    8.21    8        5.0        0.2
   94   1   4   4 25.817  51.634   0.283    8.11    8       34.7        7.9
   95   5   1   1 25.912  51.824   0.284    8.05    8        0.0        0.0
   96   3   5   2 26.087  52.175   0.285    7.92    8        3.1        0.1
   97   2   5   3 26.183  52.367   0.286    7.86    8       36.7        8.6
   98   3   4   3 26.204  52.409   0.287    7.84    8       91.6       53.3
   99   1   1   5 26.372  52.745   0.288    7.73    8      152.8      146.4
  100   4   2   3 26.405  52.81    0.289    7.71    8       26.2        4.3
  101   3   2   4 26.538  53.076   0.29     7.62    8       33.5        6.9
  102   2   6   2 26.636  53.273   0.291    7.56    8      193.1      228.5
  103   0   2   5 26.709  53.417   0.292    7.51    4       43.2        5.7
  104   5   2   1 26.768  53.535   0.292    7.47    8       31.7        6.1
  105   4   4   2 27.136  54.272   0.296    7.24    8      232.9      318.6
  106   1   7   1 27.173  54.347   0.296    7.22    8       25.3        3.8
  107   1   2   5 27.218  54.435   0.297    7.19    8        6.1        0.2
  108   5   0   2 27.229  54.457   0.297    7.19    4       51.2        7.6
  109   0   6   3 27.24   54.48    0.297    7.18    4       19.4        1.1
  110   2   4   4 27.359  54.719   0.298    7.11    8      201.5      234.1
  111   5   1   2 27.506  55.013   0.3      7.02    8        8.0        0.4
  112   4   5   0 27.545  55.091   0.3      7.0     4       11.1        0.4
  113   3   6   1 27.595  55.189   0.301    6.97    8       19.7        2.2
  114   1   6   3 27.742  55.484   0.302    6.89    8       43.9       10.7
  115   4   3   3 27.803  55.606   0.303    6.85    8       75.2       31.4
  116   2   1   5 27.893  55.787   0.304    6.8     8       45.1       11.2
  117   3   3   4 27.932  55.863   0.304    6.78    8       22.5        2.8
  118   4   5   1 28.062  56.125   0.305    6.71    8       80.0       34.8
  119   5   3   1 28.153  56.307   0.306    6.66    8        9.0        0.4
  120   2   7   0 28.156  56.311   0.306    6.66    4        8.6        0.2
  121   5   2   2 28.329  56.657   0.308    6.57    8       78.2       32.5
  122   1   5   4 28.336  56.671   0.308    6.57    8       26.4        3.7
  123   1   3   5 28.589  57.177   0.311    6.43    8      167.1      145.8
  124   2   7   1 28.665  57.331   0.311    6.4     8       27.2        3.8
  125   3   5   3 28.7    57.399   0.312    6.38    8       90.3       42.2
  126   2   2   5 28.708  57.417   0.312    6.37    8        8.3        0.4
  127   1   7   2 28.719  57.439   0.312    6.37    8        1.4        0.0
  128   4   0   4 28.934  57.869   0.314    6.26    4      205.4      107.1
  129   3   6   2 29.126  58.252   0.316    6.17    8        6.5        0.2
  130   4   1   4 29.201  58.403   0.317    6.13    8        4.1        0.1
  131   2   6   3 29.215  58.43    0.317    6.13    8        2.0        0.0
  132   4   5   2 29.578  59.156   0.32     5.96    8       11.0        0.6
  133   5   3   2 29.666  59.332   0.321    5.92    8       19.6        1.9
  134   4   4   3 29.686  59.371   0.321    5.91    8       53.5       13.7
  135   2   5   4 29.79   59.579   0.322    5.87    8       25.8        3.2
  136   3   4   4 29.809  59.618   0.323    5.86    8       25.2        3.0
  137   0   4   5 29.967  59.934   0.324    5.79    4       44.6        4.7
  138   4   2   4 29.993  59.987   0.324    5.78    8       88.9       37.0
  139   5   4   1 30.022  60.044   0.325    5.76    8        7.2        0.2
  140   2   3   5 30.035  60.069   0.325    5.76    8       45.1        9.5
  141   5   1   3 30.036  60.071   0.325    5.76    8       72.6       24.6
  142   2   7   2 30.162  60.323   0.326    5.7     8       11.6        0.6
  143   0   8   0 30.218  60.435   0.327    5.68    2       54.3        3.4
  144   3   1   5 30.315  60.63    0.328    5.64    8      113.4       58.8
  145   1   4   5 30.44   60.88    0.329    5.59    8       46.2        9.7
  146   4   6   0 30.487  60.974   0.329    5.57    4      124.7       35.1
  147   6   0   0 30.563  61.127   0.33     5.54    2       54.7        3.4
  148   0   8   1 30.706  61.412   0.331    5.48    4       19.4        0.8
  149   0   6   4 30.764  61.528   0.332    5.46    4       70.4       11.0
  150   5   2   3 30.815  61.629   0.333    5.44    8        6.2        0.2
  151   6   1   0 30.822  61.643   0.333    5.44    4        2.2        0.0
  152   4   6   1 30.973  61.945   0.334    5.38    8       36.3        5.7
  153   3   7   1 31.049  62.098   0.335    5.35    8       20.2        1.8
  154   3   2   5 31.09   62.179   0.335    5.33    8       28.1        3.4
  155   1   8   1 31.172  62.345   0.336    5.3     8       32.6        4.6
  156   0   0   6 31.183  62.367   0.336    5.3     2        3.4        0.0
  157   1   7   3 31.186  62.372   0.336    5.3     8       63.5       17.3
  158   1   6   4 31.23   62.46    0.337    5.28    8       15.4        1.0
  159   4   3   4 31.286  62.573   0.337    5.26    8        8.4        0.3
  160   6   1   1 31.304  62.609   0.337    5.25    8       71.3       21.7
  161   5   4   2 31.479  62.957   0.339    5.19    8       48.8       10.0
  162   3   6   3 31.573  63.146   0.34     5.16    8       73.2       22.4
  163   6   2   0 31.589  63.179   0.34     5.15    4      199.4       83.0
  164   1   0   6 31.646  63.292   0.341    5.13    4       16.2        0.5
  165   2   4   5 31.835  63.67    0.342    5.06    8       12.6        0.7
  166   1   1   6 31.899  63.798   0.343    5.04    8        8.7        0.3
  167   4   5   3 32.004  64.009   0.344    5.0     8       60.2       14.7
  168   6   2   1 32.065  64.131   0.345    4.98    8       14.6        0.9
  169   2   8   0 32.077  64.154   0.345    4.98    4      183.8       68.2
  170   5   3   3 32.088  64.177   0.345    4.98    8       66.0       17.6
  171   3   5   4 32.122  64.245   0.345    4.96    8       18.1        1.3
  172   0   8   2 32.145  64.289   0.345    4.96    4      213.2       91.3
  173   0   2   6 32.198  64.396   0.346    4.94    4      135.6       36.8
  174   5   5   1 32.326  64.653   0.347    4.9     8        2.9        0.0
  175   3   3   5 32.357  64.715   0.347    4.89    8      113.2       50.8
  176   4   6   2 32.405  64.809   0.348    4.87    8      124.7       61.4
  177   6   0   2 32.479  64.957   0.349    4.85    4      133.5       35.0
  178   3   7   2 32.479  64.958   0.349    4.85    8        9.7        0.4
  179   2   8   1 32.549  65.099   0.349    4.82    8       28.9        3.3
  180   2   7   3 32.563  65.125   0.349    4.82    8       46.8        8.6
  181   1   8   2 32.6    65.199   0.35     4.81    8       13.9        0.8
  182   2   6   4 32.606  65.211   0.35     4.81    8      125.3       61.1
  183   1   2   6 32.653  65.305   0.35     4.79    8        0.4        0.0
  184   1   5   5 32.728  65.456   0.351    4.77    8      115.3       51.4
  185   6   1   2 32.728  65.457   0.351    4.77    8        1.0        0.0
  186   6   3   0 32.846  65.693   0.352    4.73    4       21.9        0.9
  187   2   0   6 33.012  66.024   0.354    4.68    4      132.6       33.3
  188   4   4   4 33.048  66.096   0.354    4.67    8      142.0       76.3
  189   5   0   4 33.13   66.261   0.355    4.65    4        8.8        0.1
  190   2   1   6 33.26   66.519   0.356    4.61    8       12.9        0.6
  191   6   3   1 33.313  66.626   0.356    4.59    8       79.3       23.4
  192   5   1   4 33.378  66.755   0.357    4.57    8        8.8        0.3
  193   6   2   2 33.472  66.944   0.358    4.55    8      167.9      103.8
  194   4   1   5 33.526  67.052   0.359    4.53    8       35.5        4.6
  195   5   5   2 33.727  67.454   0.36     4.47    8       27.9        2.8
  196   4   7   0 33.762  67.524   0.361    4.46    4       26.7        1.3
  197   5   4   3 33.827  67.655   0.361    4.45    8       48.6        8.5
  198   1   3   6 33.889  67.777   0.362    4.43    8        3.0        0.0
  199   2   8   2 33.945  67.891   0.362    4.41    8      168.1      101.1
  200   2   2   6 33.997  67.995   0.363    4.4     8      162.0       93.6
  201   2   5   5 34.071  68.142   0.364    4.38    8       19.3        1.3
  202   3   4   5 34.089  68.178   0.364    4.37    8       11.3        0.4
  203   5   2   4 34.114  68.228   0.364    4.37    8       33.0        3.9
  204   4   7   1 34.222  68.444   0.365    4.34    8       74.3       19.4
  205   4   2   5 34.261  68.522   0.365    4.33    8       18.2        1.2
  206   1   7   4 34.466  68.932   0.367    4.28    8        3.1        0.0
  207   0   8   3 34.47   68.939   0.367    4.28    4        8.8        0.1
  208   6   4   0 34.566  69.132   0.368    4.25    4      189.4       61.9
  209   6   3   2 34.693  69.387   0.369    4.22    8        0.7        0.0
  210   4   6   3 34.721  69.442   0.37     4.21    8       39.8        5.4
  211   3   8   1 34.78   69.56    0.37     4.2     8       33.5        3.8
  212   3   7   3 34.793  69.585   0.37     4.19    8       82.2       23.0
  213   3   6   4 34.834  69.668   0.371    4.18    8       14.9        0.8
  214   1   8   3 34.909  69.819   0.371    4.17    8       29.2        2.9
  215   0   6   5 34.98   69.959   0.372    4.15    4       41.2        2.9
  216   6   4   1 35.021  70.042   0.373    4.14    8       12.9        0.6
  217   5   6   1 35.03   70.06    0.373    4.14    8       18.8        1.2
  218   6   1   3 35.034  70.068   0.373    4.14    8      108.2       39.2
  219   0   4   6 35.148  70.296   0.374    4.11    4      132.4       29.2
  220   2   3   6 35.21   70.42    0.374    4.1     8       31.9        3.4
  221   3   0   6 35.228  70.456   0.374    4.09    4       24.5        1.0
  222   4   5   4 35.245  70.49    0.375    4.09    8        4.3        0.1
  223   5   3   4 35.325  70.65    0.375    4.07    8        1.8        0.0
  224   1   9   1 35.378  70.757   0.376    4.06    8       33.9        3.8
  225   1   6   5 35.416  70.833   0.376    4.05    8       30.3        3.0
  226   3   1   6 35.468  70.936   0.377    4.04    8       10.4        0.4
  227   4   3   5 35.47   70.939   0.377    4.04    8       41.7        5.7
  228   1   4   6 35.584  71.168   0.378    4.01    8        9.2        0.3
  229   4   7   2 35.586  71.172   0.378    4.01    8        8.7        0.2
  230   6   2   3 35.754  71.509   0.379    3.97    8       17.1        0.9
  231   2   7   4 35.778  71.556   0.38     3.97    8       37.0        4.4
  232   5   5   3 36.002  72.004   0.382    3.92    8       53.4        9.1
  233   3   8   2 36.135  72.269   0.383    3.89    8       30.1        2.9
  234   3   2   6 36.185  72.37    0.383    3.88    8        5.0        0.1
  235   2   8   3 36.214  72.428   0.383    3.87    8        8.3        0.2
  236   2   9   0 36.23   72.459   0.384    3.87    4       23.6        0.9
  237   3   5   5 36.257  72.514   0.384    3.87    8      122.5       47.0
  238   6   4   2 36.372  72.744   0.385    3.84    8      175.6       96.1
  239   5   6   2 36.381  72.762   0.385    3.84    8        2.1        0.0
  240   2   9   1 36.676  73.352   0.388    3.78    8       30.2        2.8
  241   2   6   5 36.714  73.427   0.388    3.77    8        3.3        0.0
  242   6   5   0 36.721  73.442   0.388    3.77    4       34.0        1.8
  243   1   9   2 36.724  73.447   0.388    3.77    8       12.9        0.5
  244   2   4   6 36.879  73.757   0.39     3.74    8      161.3       79.0
  245   6   3   3 36.942  73.884   0.39     3.73    8       90.5       24.8
  246   5   4   4 36.991  73.983   0.391    3.72    8       47.1        6.7
  247   7   1   1 37.069  74.138   0.391    3.71    8       41.5        5.2
  248   4   4   5 37.133  74.266   0.392    3.7     8       36.8        4.1
  249   6   5   1 37.165  74.33    0.392    3.69    8       83.4       20.8
  250   4   8   0 37.359  74.718   0.394    3.65    4      270.1      108.1
  251   3   3   6 37.367  74.735   0.394    3.65    8        1.5        0.0
  252   5   1   5 37.447  74.893   0.395    3.64    8       82.6       20.1
  253   0   8   4 37.61   75.22    0.396    3.61    4      198.5       57.7
  254   1   5   6 37.715  75.43    0.397    3.59    8       17.0        0.8
  255   7   2   1 37.774  75.548   0.398    3.58    8        7.7        0.2
  256   4   8   1 37.8    75.601   0.398    3.58    8       15.1        0.7
  257   4   7   3 37.813  75.626   0.398    3.58    8       55.6        8.9
  258   1   1   7 37.823  75.646   0.398    3.57    8      123.5       44.2
  259   4   6   4 37.853  75.706   0.398    3.57    8      166.3       80.0
  260   6   0   4 37.922  75.844   0.399    3.56    4      198.6       56.8
  261   3   7   4 37.922  75.845   0.399    3.56    8       13.4        0.5
  262   2   9   2 38.003  76.007   0.4      3.54    8       16.0        0.7
  263   1   8   4 38.035  76.07    0.4      3.54    8       13.6        0.5
  264   0   2   7 38.1    76.2     0.401    3.53    4       10.6        0.2
  265   5   7   1 38.112  76.224   0.401    3.53    8       30.3        2.6
  266   5   2   5 38.149  76.298   0.401    3.52    8        0.9        0.0
  267   6   1   4 38.155  76.311   0.401    3.52    8       18.1        0.9
  268   7   0   2 38.158  76.317   0.401    3.52    4       20.3        0.6
  269   4   0   6 38.234  76.469   0.402    3.51    4      158.2       35.6
  270   3   8   3 38.349  76.698   0.403    3.49    8       72.0       14.7
  271   7   1   2 38.391  76.783   0.403    3.48    8        3.6        0.0
  272   4   1   6 38.467  76.935   0.404    3.47    8        9.6        0.3
  273   1   7   5 38.486  76.972   0.404    3.47    8      103.8       30.3
  274   6   5   2 38.487  76.973   0.404    3.47    8        0.7        0.0
  275   1   2   7 38.523  77.046   0.404    3.46    8       26.9        2.0
  276   6   4   3 38.582  77.163   0.405    3.45    8        2.6        0.0
  277   5   6   3 38.59   77.181   0.405    3.45    8       17.9        0.9
  278   3   9   1 38.802  77.604   0.407    3.42    8       18.8        1.0
  279   3   6   5 38.839  77.678   0.407    3.41    8       18.2        0.9
  280   6   2   4 38.854  77.707   0.407    3.41    8       77.2       16.5
  281   1   9   3 38.926  77.852   0.408    3.4     8       92.9       23.8
  282   7   3   1 38.939  77.878   0.408    3.4     8       33.4        3.1
  283   2   5   6 38.984  77.968   0.408    3.39    8       18.3        0.9
  284   0  10   0 38.984  77.969   0.408    3.39    2      107.2        7.9
  285   3   4   6 39.001  78.002   0.409    3.39    8       16.5        0.7
  286   7   2   2 39.088  78.177   0.409    3.38    8       37.7        3.9
  287   2   1   7 39.091  78.181   0.409    3.38    8       37.0        3.7
  288   5   5   4 39.094  78.189   0.409    3.38    8        5.3        0.1
  289   4   8   2 39.115  78.229   0.41     3.37    8      173.4       82.2
  290   4   2   6 39.164  78.328   0.41     3.37    8       43.7        5.2
  291   4   5   5 39.234  78.467   0.411    3.36    8       43.2        5.1
  292   6   6   0 39.293  78.585   0.411    3.35    4       53.8        3.9
  293   2   8   4 39.3    78.601   0.411    3.35    8      189.8       97.8
  294   5   3   5 39.311  78.621   0.411    3.35    8       66.4       12.0
  295   0  10   1 39.42   78.84    0.412    3.33    4       14.8        0.3
  296   5   7   2 39.423  78.846   0.412    3.33    8       19.9        1.1
  297   1   3   7 39.682  79.363   0.414    3.3     8      149.4       59.6
  298   6   6   1 39.727  79.454   0.415    3.29    8       14.8        0.6
  299   2   7   5 39.747  79.495   0.415    3.29    8       12.5        0.4
  300   2   2   7 39.784  79.568   0.415    3.28    8       16.0        0.7
  301   1  10   1 39.839  79.678   0.416    3.28    8       39.7        4.2
  302   0   6   6 39.848  79.697   0.416    3.27    4       14.1        0.3
  303   6   3   4 40.009  80.019   0.417    3.25    8       10.6        0.3
  304   3   9   2 40.107  80.213   0.418    3.24    8        6.5        0.1
  305   2   9   3 40.184  80.367   0.419    3.23    8       49.8        6.5
  306   7   3   2 40.242  80.484   0.419    3.22    8       25.9        1.8
  307   1   6   6 40.266  80.532   0.42     3.22    8       29.0        2.2
  308   4   3   6 40.317  80.634   0.42     3.22    8       10.6        0.3
  309   7   4   1 40.554  81.107   0.422    3.19    8       73.9       14.1
  310   7   1   3 40.566  81.131   0.422    3.19    8       71.2       13.1
  311   2  10   0 40.658  81.316   0.423    3.18    4      187.0       45.0
  312   6   5   3 40.659  81.319   0.423    3.18    8       81.7       17.2
  313   0  10   2 40.719  81.439   0.423    3.17    4      203.9       53.4
  314   4   7   4 40.86   81.721   0.425    3.15    8        0.3        0.0
  315   0   4   7 40.874  81.747   0.425    3.15    4       22.2        0.6
  316   5   4   5 40.922  81.843   0.425    3.15    8        9.8        0.2
  317   2   3   7 40.933  81.866   0.425    3.15    8       22.6        1.3
  318   6   6   2 41.024  82.048   0.426    3.14    8       98.5       24.7
  319   3   5   6 41.073  82.146   0.426    3.13    8        5.0        0.1
  320   2  10   1 41.089  82.178   0.427    3.13    8       31.3        2.5
  321   1  10   2 41.135  82.27    0.427    3.12    8       12.2        0.4
  322   3   1   7 41.179  82.357   0.427    3.12    8      166.7       70.3
  323   7   2   3 41.253  82.506   0.428    3.11    8       65.9       11.0
  324   4   8   3 41.279  82.558   0.428    3.11    8       19.0        0.9
  325   1   4   7 41.289  82.578   0.428    3.11    8       42.4        4.5
  326   4   9   0 41.294  82.588   0.428    3.11    4       24.0        0.7
  327   3   8   4 41.386  82.772   0.429    3.1     8        5.6        0.1
  328   2   6   6 41.514  83.027   0.43     3.08    8       78.1       15.2
  329   0   8   5 41.524  83.047   0.43     3.08    4       42.2        2.2
  330   5   8   1 41.571  83.143   0.431    3.08    8        9.1        0.2
  331   5   7   3 41.584  83.167   0.431    3.08    8       73.8       13.6
  332   6   4   4 41.614  83.228   0.431    3.07    8      122.6       37.5
  333   5   6   4 41.623  83.245   0.431    3.07    8       50.1        6.2
  334   4   9   1 41.724  83.448   0.432    3.06    8       61.8        9.5
  335   4   6   5 41.76   83.52    0.432    3.06    8       16.3        0.7
  336   3   7   5 41.828  83.656   0.433    3.05    8      121.9       36.8
  337   7   4   2 41.845  83.69    0.433    3.05    8       26.2        1.7
  338   3   2   7 41.864  83.728   0.433    3.05    8       58.1        8.3
  339   4   4   6 41.919  83.839   0.434    3.05    8       95.5       22.5
  340   1   8   5 41.938  83.876   0.434    3.04    8       21.8        1.2
  341   1   9   4 41.953  83.905   0.434    3.04    8        9.5        0.2
  342   5   0   6 41.995  83.99    0.434    3.04    4      106.6       14.0
  343   6   1   5 42.055  84.111   0.435    3.03    8       73.2       13.2
  344   5   1   6 42.223  84.446   0.436    3.02    8       18.9        0.9
  345   3   9   3 42.26   84.519   0.437    3.01    8       65.1       10.4
  346   6   7   0 42.274  84.548   0.437    3.01    4       26.5        0.9
  347   2  10   2 42.378  84.755   0.438    3.0     8      139.9       47.7
  348   7   3   3 42.394  84.788   0.438    3.0     8       54.7        7.3
  349   2   4   7 42.531  85.062   0.439    2.99    8       18.9        0.9
  350   7   5   1 42.609  85.219   0.439    2.99    8       32.4        2.5
  351   8   0   0 42.687  85.373   0.44     2.98    2      190.9       22.0
  352   6   7   1 42.702  85.405   0.44     2.98    8       95.0       21.8
  353   6   2   5 42.739  85.477   0.441    2.97    8        3.7        0.0
  354   5   8   2 42.858  85.715   0.442    2.97    8       16.3        0.6
  355   0  10   3 42.867  85.733   0.442    2.96    4        5.0        0.0
  356   5   2   6 42.906  85.812   0.442    2.96    8       79.7       15.2
  357   8   1   0 42.914  85.828   0.442    2.96    4        2.5        0.0
  358   5   5   5 42.975  85.949   0.442    2.96    8      103.9       25.9
  359   3   3   7 43.003  86.005   0.443    2.95    8      143.6       49.4
  360   4   9   2 43.009  86.019   0.443    2.95    8        3.8        0.0
  361   3  10   1 43.158  86.315   0.444    2.94    8       31.1        2.3
  362   6   6   3 43.169  86.338   0.444    2.94    8        9.0        0.2
  363   2   8   5 43.177  86.354   0.444    2.94    8        4.0        0.0
  364   2   9   4 43.192  86.384   0.444    2.94    8        5.8        0.1
  365   1   7   6 43.235  86.469   0.445    2.94    8        6.3        0.1
  366   1  10   3 43.279  86.558   0.445    2.93    8       57.3        7.8
  367   1   5   7 43.339  86.679   0.445    2.93    8      130.2       40.2
  368   8   1   1 43.342  86.683   0.446    2.93    8      137.5       44.9
  369   7   0   4 43.342  86.685   0.446    2.93    4       27.6        0.9
  370   7   1   4 43.57   87.139   0.447    2.91    8       10.2        0.2
  371   3   6   6 43.579  87.159   0.447    2.91    8       61.2        8.8
  372   8   2   0 43.596  87.191   0.448    2.91    4      162.9       31.3
  373   0   0   8 43.659  87.319   0.448    2.91    2       61.4        2.2
  374   6   5   4 43.662  87.325   0.448    2.91    8       16.0        0.6
  375   6   3   5 43.874  87.749   0.45     2.89    8       70.7       11.7
  376   7   5   2 43.892  87.784   0.45     2.89    8       24.1        1.4
  377   4   5   6 43.966  87.932   0.451    2.89    8        3.2        0.0
  378   7   4   3 43.985  87.969   0.451    2.89    8       39.8        3.7
  379   6   7   2 43.985  87.969   0.451    2.89    8        4.6        0.0
  380   8   2   1 44.023  88.045   0.451    2.88    8       21.9        1.1
  381   5   3   6 44.041  88.083   0.451    2.88    8        1.8        0.0
  382   4   1   7 44.07   88.141   0.451    2.88    8       19.5        0.9
  383   1   0   8 44.071  88.142   0.451    2.88    4        3.4        0.0
  384   7   2   4 44.25   88.501   0.453    2.87    8       53.9        6.7
  385   4   8   4 44.276  88.552   0.453    2.87    8      119.4       33.1
  386   1   1   8 44.298  88.596   0.453    2.87    8        3.8        0.0
  387   8   0   2 44.396  88.792   0.454    2.86    4       86.5        8.7
  388   3  10   2 44.439  88.878   0.454    2.86    8       42.8        4.3
  389   2   7   6 44.47   88.94    0.455    2.86    8       17.7        0.7
  390   2  10   3 44.515  89.029   0.455    2.85    8        1.0        0.0
  391   0   2   8 44.567  89.134   0.456    2.85    4       46.9        2.5
  392   2   5   7 44.575  89.15    0.456    2.85    8       29.6        2.0
  393   5   7   4 44.578  89.157   0.456    2.85    8       16.1        0.6
  394   3   4   7 44.591  89.183   0.456    2.85    8       47.3        5.2
  395   8   1   2 44.623  89.245   0.456    2.85    8        6.4        0.1
  396   1  11   1 44.629  89.257   0.456    2.85    8       27.1        1.7
  397   4   7   5 44.715  89.43    0.457    2.84    8       41.4        4.0
  398   8   3   0 44.73   89.46    0.457    2.84    4        6.6        0.0
  399   4   2   7 44.751  89.502   0.457    2.84    8       37.1        3.2
  400   1   2   8 44.978  89.957   0.459    2.83    8        2.9        0.0
  401   5   8   3 44.993  89.986   0.459    2.83    8        3.9        0.0


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

  No   H   K   L   Theta 2*Theta    d           I int   I int.n.  I p.h.n.   H(Si)
                    ( degree )   (angstrem)     *100                         *100

    1   0   2   0   7.228  14.456  6.122       2191.6    100.0    100.0     5.6
    2   1   1   1   7.836  15.672  5.64992      114.1      5.2      5.2     5.6
    3   2   0   0   9.759  19.517  4.5445      1177.7     53.7     53.6     5.6
    4   0   0   2   9.939  19.877  4.463       1031.2     47.1     46.9     5.6
    5   1   2   1  10.051  20.103  4.41347       30.4      1.4      1.4     5.6
    6   2   1   1  11.557  23.113  3.84496       72.4      3.3      3.3     5.6
    7   2   2   0  12.186  24.373  3.649        170.0      7.8      7.7     5.6
    8   0   2   2  12.333  24.665  3.60641      162.8      7.4      7.4     5.6
    9   1   3   1  12.954  25.907  3.43624       40.6      1.9      1.8     5.6
   10   2   0   2  13.999  27.998  3.18424     1230.4     56.1     55.6     5.6
   11   0   4   0  14.575  29.15   3.061        542.7     24.8     24.5     5.6
   12   2   3   1  15.542  31.084  2.87473       32.6      1.5      1.5     5.6
   13   2   2   2  15.823  31.646  2.82496      782.8     35.7     35.3     5.6
   14   3   1   1  16.008  32.015  2.79326       47.8      2.2      2.2     5.6
   15   1   4   1  16.213  32.425  2.75886      581.8     26.5     26.2     5.6
   16   3   2   1  17.248  34.496  2.59781       74.3      3.4      3.3     5.7
   17   1   2   3  17.461  34.923  2.56708      156.9      7.2      7.1     5.7
   18   2   4   0  17.662  35.324  2.5388       299.3     13.7     13.4     5.7
   19   0   4   2  17.767  35.534  2.52432      355.9     16.2     16.0     5.7
   20   3   0   2  17.896  35.792  2.50666       25.6      1.2      1.1     5.7
   21   2   4   1  18.387  36.774  2.44194       26.1      1.2      1.2     5.7
   22   3   3   1  19.159  38.318  2.34706       27.5      1.3      1.2     5.7
   23   1   3   3  19.354  38.707  2.32432       90.7      4.1      4.1     5.7
   24   1   5   1  19.695  39.389  2.28565       32.2      1.5      1.4     5.7
   25   4   0   0  19.816  39.631  2.27225       28.6      1.3      1.3     5.7
   26   0   0   4  20.193  40.386  2.2315        61.6      2.8      2.8     5.7
   27   2   4   2  20.43   40.859  2.20674      580.0     26.5     25.9     5.7
   28   4   1   1  20.819  41.638  2.16725      153.8      7.0      6.9     5.7
   29   4   2   0  21.198  42.396  2.13025      310.5     14.2     13.8     5.7
   30   0   2   4  21.555  43.111  2.09656      370.3     16.9     16.5     5.7
   31   3   1   3  21.609  43.218  2.09162      232.5     10.6     10.4     5.7
   32   1   4   3  21.768  43.536  2.07706       27.3      1.2      1.2     5.7
   33   0   6   0  22.177  44.353  2.04067      293.8     13.4     13.1     5.7
   34   4   0   2  22.359  44.717  2.02491      259.1     11.8     11.5     5.7
   35   3   2   3  22.585  45.17   2.00567      173.0      7.9      7.7     5.7
   36   2   0   4  22.616  45.232  2.00305      112.6      5.1      5.0     5.7
   37   1   6   1  23.351  46.703  1.94334       47.2      2.2      2.1     5.7
   38   4   3   1  23.42   46.84   1.93795       84.4      3.8      3.7     5.7
   39   4   2   2  23.62   47.24   1.92248      515.8     23.5     22.9     5.7
   40   2   2   4  23.867  47.734  1.90374      279.3     12.7     12.4     5.7
   41   3   3   3  24.142  48.285  1.88331      108.9      5.0      4.8     5.7
   42   2   6   0  24.442  48.884  1.8616       225.1     10.3     10.0     5.7
   43   0   6   2  24.523  49.045  1.85587      279.2     12.7     12.4     5.7
   44   1   5   3  24.589  49.179  1.85113       60.2      2.7      2.7     5.7
   45   4   4   0  24.973  49.945  1.8245       223.3     10.2      9.9     5.7
   46   0   4   4  25.288  50.577  1.8032       185.7      8.5      8.2     5.8
   47   4   1   3  25.541  51.082  1.78653       34.8      1.6      1.5     5.8
   48   3   4   3  26.204  52.409  1.74439       61.9      2.8      2.7     5.8
   49   1   1   5  26.372  52.745  1.73407      146.4      6.7      6.5     5.8
   50   2   6   2  26.636  53.273  1.71812      228.5     10.4     10.1     5.8
   51   4   4   2  27.136  54.272  1.68883      318.6     14.5     14.0     5.8
   52   2   4   4  27.359  54.719  1.67608      234.1     10.7     10.3     5.8
   53   4   3   3  27.803  55.606  1.65142       31.4      1.4      1.4     5.8
   54   4   5   1  28.062  56.125  1.63738       34.8      1.6      1.5     5.8
   55   5   2   2  28.329  56.657  1.62325       36.2      1.7      1.6     5.8
   56   1   3   5  28.589  57.177  1.60972      145.8      6.7      6.4     5.8
   57   3   5   3  28.7    57.399  1.60402       42.5      1.9      1.9     5.8
   58   4   0   4  28.934  57.869  1.59212      107.1      4.9      4.7     5.8
   59   4   2   4  29.993  59.987  1.54087       41.7      1.9      1.8     5.8
   60   5   1   3  30.036  60.071  1.5389        34.1      1.6      1.5     5.8
   61   3   1   5  30.315  60.63   1.52606       58.8      2.7      2.6     5.8
   62   4   6   0  30.487  60.974  1.51826       35.1      1.6      1.5     5.8
   63   6   2   0  31.589  63.179  1.47049      105.4      4.8      4.6     5.9
   64   2   8   0  32.077  64.154  1.45045       85.8      3.9      3.7     5.9
   65   0   8   2  32.145  64.289  1.44774       92.6      4.2      4.0     5.9
   66   0   2   6  32.198  64.396  1.4456        36.8      1.7      1.6     5.9
   67   3   3   5  32.357  64.715  1.43924       50.8      2.3      2.2     5.9
   68   4   6   2  32.405  64.809  1.43737       61.4      2.8      2.7     5.9
   69   6   0   2  32.479  64.957  1.43446       35.4      1.6      1.5     5.9
   70   2   6   4  32.606  65.211  1.42948       61.1      2.8      2.6     5.9
   71   1   5   5  32.728  65.456  1.42473       51.4      2.3      2.2     5.9
   72   2   0   6  33.012  66.024  1.41384       33.3      1.5      1.4     5.9
   73   4   4   4  33.048  66.096  1.41248       76.3      3.5      3.3     5.9
   74   6   3   1  33.313  66.626  1.40253       23.4      1.1      1.0     5.9
   75   6   2   2  33.472  66.944  1.39663      103.8      4.7      4.5     5.9
   76   2   8   2  33.945  67.891  1.37943      101.1      4.6      4.4     5.9
   77   2   2   6  33.997  67.995  1.37758       93.6      4.3      4.0     5.9
   78   6   4   0  34.566  69.132  1.35768       61.9      2.8      2.7     5.9
   79   3   7   3  34.793  69.585  1.34993       26.8      1.2      1.2     5.9
   80   6   1   3  35.034  70.068  1.34181       40.4      1.8      1.7     5.9
   81   0   4   6  35.148  70.296  1.33801       29.2      1.3      1.3     5.9
   82   3   5   5  36.257  72.514  1.30246       47.0      2.1      2.0     5.9
   83   6   4   2  36.372  72.744  1.2989        96.1      4.4      4.1     6.0
   84   2   4   6  36.879  73.757  1.28354       79.0      3.6      3.4     6.0
   85   6   3   3  36.942  73.884  1.28165       24.8      1.1      1.1     6.0
   86   4   8   0  37.359  74.718  1.2694       108.1      4.9      4.6     6.0
   87   0   8   4  37.61   75.22   1.26216       57.7      2.6      2.5     6.0
   88   4   6   4  37.853  75.706  1.25527      133.2      6.1      5.7     6.0
   89   6   0   4  37.922  75.844  1.25333       57.4      2.6      2.4     6.0
   90   4   0   6  38.234  76.469  1.24464       35.6      1.6      1.5     6.0
   91   1   7   5  38.486  76.972  1.23774       30.3      1.4      1.3     6.0
   92   1   9   3  38.926  77.852  1.22594       26.9      1.2      1.1     6.0
   93   4   8   2  39.115  78.229  1.22097       89.9      4.1      3.8     6.0
   94   5   3   5  39.311  78.621  1.21586      113.6      5.2      4.8     6.0
   95   1   3   7  39.682  79.363  1.20635       59.6      2.7      2.5     6.0
   96   7   4   1  40.554  81.107  1.18476       27.2      1.2      1.1     6.1
   97   2  10   0  40.658  81.316  1.18224       62.2      2.8      2.6     6.1
   98   0  10   2  40.719  81.439  1.18077       53.4      2.4      2.2     6.1
   99   6   6   2  41.024  82.048  1.17353       24.7      1.1      1.0     6.1
  100   3   1   7  41.179  82.357  1.16991       70.3      3.2      2.9     6.1
  101   6   4   4  41.614  83.228  1.15987       43.7      2.0      1.8     6.1
  102   3   7   5  41.828  83.656  1.15503       38.5      1.8      1.6     6.1
  103   4   4   6  41.919  83.839  1.15297       23.7      1.1      1.0     6.1
  104   2  10   2  42.378  84.755  1.14283       54.9      2.5      2.3     6.1
  105   8   0   0  42.687  85.373  1.13612       43.8      2.0      1.8     6.1
  106   3   3   7  43.003  86.005  1.12939       75.3      3.4      3.1     6.1
  107   8   1   1  43.342  86.683  1.12229       86.1      3.9      3.6     6.1
  108   8   2   0  43.596  87.191  1.11705       40.2      1.8      1.7     6.2
  109   4   8   4  44.276  88.552  1.10337       39.9      1.8      1.6     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)