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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FERROSILITE

7, t-hypersthene, at 980'C, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-enstatite

FeSiO(3)


Orthorhombic  P bca  Z = 16

Pbca

12 .3 .1991

Ref.Str.:

         Sueno S., Cameron M., Prewitt C.T. (1976)

         * Amer. Mineral., 61, 38-53

                   Initial data from BDM-file 

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

             a =  18.614    alpha =   90.0 
             b =   9.172    beta  =   90.0 
             c =   5.3199   gamma =   90.0 

    Unit cell volume (cub. angs.) =   908.25

    Molar volume ( cub.cm/mol.) =    34.19

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

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

   1 0.3747  0.6505  0.8992   2.27   Fe    = 1.00
   2 0.3764  0.4886  0.3964   3.19   Fe    = 1.00
   3 0.2729  0.3374  0.0695   1.64   Si    = 1.00
   4 0.4755  0.3353  0.7725   1.7    Si    = 1.00
   5 0.1862  0.3394  0.0669   2.26   O     = 1.00
   6 0.312   0.491   0.0669   2.67   O     = 1.00
   7 0.3006  0.2491  0.8225   2.87   O     = 1.00
   8 0.5623  0.3401  0.7727   2.49   O     = 1.00
   9 0.4348  0.4847  0.7117   3.13   O     = 1.00
  10 0.4493  0.2229  0.5455   3.29   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3747     0.6505     0.8992
     2       2     0.3764     0.4886     0.3964
     3       3     0.2729     0.3374     0.0695
     4       4     0.4755     0.3353     0.7725
     5       5     0.1862     0.3394     0.0669
     6       6     0.312      0.491      0.0669
     7       7     0.3006     0.2491     0.8225
     8       8     0.5623     0.3401     0.7727
     9       9     0.4348     0.4847     0.7117
    10      10     0.4493     0.2229     0.5455
    11       1     0.1253     0.3495     0.3992
    12       2     0.1236     0.5114     0.8964
    13       3     0.2271     0.6626     0.5695
    14       4     0.0245     0.6647     0.2725
    15       5     0.3138     0.6606     0.5669
    16       6     0.188      0.509      0.5669
    17       7     0.1994     0.7509     0.3225
    18       8     0.9377     0.6599     0.2727
    19       9     0.0652     0.5153     0.2117
    20      10     0.0507     0.7771     0.0455
    21       1     0.1253     0.1505     0.8992
    22       2     0.1236     0.9886     0.3964
    23       3     0.2271     0.8374     0.0695
    24       4     0.0245     0.8353     0.7725
    25       5     0.3138     0.8394     0.0669
    26       6     0.188      0.991      0.0669
    27       7     0.1994     0.7491     0.8225
    28       8     0.9377     0.8401     0.7727
    29       9     0.0652     0.9847     0.7117
    30      10     0.0507     0.7229     0.5455
    31       1     0.3747     0.8495     0.3992
    32       2     0.3764     0.0114     0.8964
    33       3     0.2729     0.1626     0.5695
    34       4     0.4755     0.1647     0.2725
    35       5     0.1862     0.1606     0.5669
    36       6     0.312      0.009      0.5669
    37       7     0.3006     0.2509     0.3225
    38       8     0.5623     0.1599     0.2727
    39       9     0.4348     0.0153     0.2117
    40      10     0.4493     0.2771     0.0455
    41       1     0.8747     0.6505     0.6008
    42       2     0.8764     0.4886     0.1036
    43       3     0.7729     0.3374     0.4305
    44       4     0.9755     0.3353     0.7275
    45       5     0.6862     0.3394     0.4331
    46       6     0.812      0.491      0.4331
    47       7     0.8006     0.2491     0.6775
    48       8     0.0623     0.3401     0.7273
    49       9     0.9348     0.4847     0.7883
    50      10     0.9493     0.2229     0.9545
    51       1     0.6253     0.3495     0.1008
    52       2     0.6236     0.5114     0.6036
    53       3     0.7271     0.6626     0.9305
    54       4     0.5245     0.6647     0.2275
    55       5     0.8138     0.6606     0.9331
    56       6     0.688      0.509      0.9331
    57       7     0.6994     0.7509     0.1775
    58       8     0.4377     0.6599     0.2273
    59       9     0.5652     0.5153     0.2883
    60      10     0.5507     0.7771     0.4545
    61       1     0.6253     0.1505     0.6008
    62       2     0.6236     0.9886     0.1036
    63       3     0.7271     0.8374     0.4305
    64       4     0.5245     0.8353     0.7275
    65       5     0.8138     0.8394     0.4331
    66       6     0.688      0.991      0.4331
    67       7     0.6994     0.7491     0.6775
    68       8     0.4377     0.8401     0.7273
    69       9     0.5652     0.9847     0.7883
    70      10     0.5507     0.7229     0.9545
    71       1     0.8747     0.8495     0.1008
    72       2     0.8764     0.0114     0.6036
    73       3     0.7729     0.1626     0.9305
    74       4     0.9755     0.1647     0.2275
    75       5     0.6862     0.1606     0.9331
    76       6     0.812      0.009      0.9331
    77       7     0.8006     0.2509     0.1775
    78       8     0.0623     0.1599     0.2273
    79       9     0.9348     0.0153     0.2883
    80      10     0.9493     0.2771     0.4545


X-ray density (g/cm cub.)   =      3.86

MU (1/cm) =     187.842    Mass attenuation coefficient (cm**2/g) =     48.689

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

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

    1    Fe                  2.592        6
                                                 2.0732       6
                                                 2.1352       9
                                                 2.1021       5
                                                 2.2545       5
                                                 2.1046       8
                                                 2.2882       8
    2    Fe                  2.592        4
                                                 2.1237       6
                                                 1.9991       9
                                                 2.1609       5
                                                 2.14         8
    3    Si                  2.1          4
                                                 1.614        5
                                                 1.5858       6
                                                 1.6274       7
                                                 1.6452       7
    4    Si                  2.1          4
                                                 1.6163       8
                                                 1.5988       9
                                                 1.661       10
                                                 1.6224      10
    5    O                   3.264       11
                                                 2.7234       6
                                                 2.6289       7
                                                 3.0816       6
                                                 3.0816       6
                                                 2.8756       9
                                                 3.1957       6
                                                 3.1249       5
                                                 3.1249       5
                                                 2.6537       7
                                                 2.9297       8
                                                 2.9593       8
    6    O                   3.264        9
                                                 2.7234       5
                                                 2.5803       7
                                                 2.9663       9
                                                 3.0816       5
                                                 3.0816       5
                                                 3.1957       5
                                                 2.5969       7
                                                 3.2239      10
                                                 2.933        8
    7    O                   3.264        8
                                                 2.6289       5
                                                 2.5803       6
                                                 3.1449      10
                                                 2.6537       5
                                                 2.5969       6
                                                 2.66         7
                                                 2.66         7
                                                 3.0224      10
    8    O                   3.264       11
                                                 2.738        9
                                                 2.6534      10
                                                 3.1316       8
                                                 3.1316       8
                                                 2.62        10
                                                 2.9297       5
                                                 2.933        6
                                                 3.1794       9
                                                 3.0374       9
                                                 3.2612       9
                                                 2.9593       5
    9    O                   3.264        8
                                                 2.9663       6
                                                 2.738        8
                                                 2.573       10
                                                 2.8756       5
                                                 2.6176      10
                                                 3.1794       8
                                                 3.0374       8
                                                 3.2612       8
   10    O                   3.264        9
                                                 3.1449       7
                                                 2.6534       8
                                                 2.573        9
                                                 3.2239       6
                                                 3.0224       7
                                                 2.62         8
                                                 2.6176       9
                                                 2.706       10
                                                 2.706       10

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

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

    1   2   0   0  5.515  11.03    0.054  213.56    2        1.0        0.0
    2   2   1   0  7.87   15.739   0.077  103.74    4       87.4      384.1
    3   4   0   0 11.082  22.164   0.107   51.24    2      180.2      403.2
    4   0   2   0 11.247  22.494   0.109   49.68    2       11.7        1.6
    5   1   1   1 11.55   23.1     0.112   47.0     8       19.2       16.9
    6   4   1   0 12.447  24.894   0.12    40.18    4        5.7        0.6
    7   2   1   1 12.523  25.046   0.121   39.67    8       27.3       28.6
    8   2   2   0 12.558  25.117   0.122   39.44    4        2.1        0.1
    9   3   1   1 14.004  28.009   0.135   31.32    8        5.8        1.0
   10   0   2   1 14.922  29.845   0.144   27.35    4       39.2       20.4
   11   1   2   1 15.186  30.372   0.146   26.34    8        8.6        1.9
   12   4   1   1 15.864  31.728   0.153   23.98    8       57.5       77.0
   13   4   2   0 15.893  31.785   0.153   23.88    4      200.3      464.6
   14   2   2   1 15.954  31.907   0.154   23.69    8      145.3      485.2
   15   6   0   0 16.757  33.515   0.161   21.3     2       11.7        0.7
   16   3   2   1 17.164  34.329   0.165   20.21    8      164.1      527.6
   17   6   1   0 17.72   35.44    0.17    18.85    4      256.8      602.8
   18   2   3   0 17.935  35.871   0.172   18.36    4       54.8       26.7
   19   5   1   1 18.002  36.003   0.173   18.21    8       87.1      134.0
   20   4   2   1 18.744  37.487   0.18    16.67    8      128.5      266.9
   21   0   0   2 19.65   39.3     0.188   15.01    2       48.6        8.6
   22   1   0   2 19.858  39.715   0.19    14.67    4      100.5       71.8
   23   1   3   1 19.928  39.856   0.191   14.55    8      184.8      481.9
   24   6   1   1 20.348  40.695   0.194   13.89    8       53.5       38.5
   25   6   2   0 20.371  40.741   0.195   13.86    4       11.8        0.9
   26   2   0   2 20.471  40.942   0.195   13.71    4      155.9      161.6
   27   4   3   0 20.491  40.981   0.196   13.68    4        9.4        0.6
   28   2   3   1 20.54   41.079   0.196   13.6     8      145.2      278.1
   29   5   2   1 20.621  41.243   0.197   13.48    8      132.5      229.6
   30   1   1   2 20.696  41.392   0.198   13.38    8       56.3       41.1
   31   2   1   2 21.289  42.578   0.203   12.56    8       29.5       10.6
   32   3   0   2 21.461  42.922   0.205   12.33    4      213.2      271.8
   33   3   3   1 21.527  43.054   0.205   12.25    8       88.7       93.5
   34   3   1   2 22.25   44.499   0.212   11.37    8       51.2       28.9
   35   8   0   0 22.608  45.216   0.215   10.97    2      113.4       34.2
   36   6   2   1 22.741  45.483   0.216   10.82    8       13.1        1.8
   37   4   0   2 22.788  45.577   0.217   10.77    4       90.7       43.0
   38   4   3   1 22.851  45.702   0.217   10.71    8       48.8       24.7
   39   7   1   1 22.861  45.721   0.217   10.7     8       54.0       30.2
   40   0   2   2 22.876  45.752   0.217   10.68    4       24.7        3.2
   41   0   4   0 22.96   45.919   0.218   10.59    2       26.1        1.8
   42   1   2   2 23.06   46.12    0.219   10.49    8       40.7       16.9
   43   8   1   0 23.366  46.732   0.222   10.18    4        4.1        0.1
   44   4   1   2 23.542  47.083   0.223   10.01    8       43.6       18.4
   45   2   2   2 23.606  47.212   0.224    9.95    8       11.2        1.2
   46   2   4   0 23.687  47.375   0.225    9.87    4        4.4        0.1
   47   6   3   0 24.252  48.505   0.23     9.35    4       38.1        6.6
   48   5   0   2 24.411  48.823   0.231    9.22    4      222.3      220.9
   49   5   3   1 24.471  48.942   0.232    9.17    8      164.6      240.8
   50   3   2   2 24.495  48.989   0.232    9.15    8       60.4       32.4
   51   7   2   1 25.064  50.127   0.237    8.68    8       97.0       79.2
   52   5   1   2 25.128  50.255   0.237    8.63    8       91.9       70.6
   53   0   4   1 25.136  50.273   0.237    8.62    4        6.4        0.2
   54   1   4   1 25.308  50.616   0.239    8.49    8       45.9       17.3
   55   8   1   1 25.516  51.033   0.241    8.33    8       45.8       16.9
   56   8   2   0 25.536  51.071   0.241    8.32    4       75.8       23.2
   57   4   2   2 25.7    51.401   0.242    8.2     8       10.7        0.9
   58   4   4   0 25.777  51.554   0.243    8.14    4       58.4       13.5
   59   2   4   1 25.818  51.636   0.243    8.11    8       84.8       56.6
   60   6   0   2 26.292  52.585   0.248    7.78    4        4.4        0.1
   61   6   3   1 26.349  52.698   0.248    7.75    8      141.9      151.3
   62   1   3   2 26.635  53.27    0.251    7.56    8        5.1        0.2
   63   3   4   1 26.652  53.304   0.251    7.55    8       53.8       21.2
   64   6   1   2 26.972  53.944   0.254    7.34    8       24.3        4.2
   65   2   3   2 27.127  54.254   0.255    7.25    8        8.5        0.5
   66   5   2   2 27.193  54.387   0.255    7.21    8       27.1        5.1
   67   8   2   1 27.562  55.123   0.259    6.99    8       89.5       54.3
   68   4   4   1 27.79   55.581   0.261    6.86    8       47.6       15.1
   69   3   3   2 27.934  55.868   0.262    6.78    8       38.6        9.8
   70   9   1   1 28.304  56.608   0.265    6.58    8        3.9        0.1
   71   7   0   2 28.4    56.801   0.266    6.53    4      170.5       92.1
   72   7   3   1 28.454  56.908   0.266    6.5     8       84.2       44.7
   73  10   0   0 28.72   57.44    0.269    6.37    2        5.7        0.1
   74   8   3   0 28.887  57.775   0.27     6.29    4        3.2        0.0
   75   6   2   2 28.946  57.893   0.271    6.26    8       57.9       20.3
   76   6   4   0 29.017  58.034   0.271    6.22    4        2.3        0.0
   77   4   3   2 29.039  58.078   0.271    6.21    8       43.9       11.6
   78   7   1   2 29.047  58.094   0.271    6.21    8       40.8       10.0
   79   5   4   1 29.21   58.421   0.273    6.13    8       71.8       30.7
   80  10   1   0 29.362  58.724   0.274    6.06    4       45.7        6.1
   81   2   5   0 29.801  59.601   0.278    5.86    4      205.5      120.0
   82   9   2   1 30.221  60.442   0.281    5.68    8       71.1       27.8
   83   5   3   2 30.421  60.843   0.283    5.6     8       16.7        1.5
   84   8   0   2 30.713  61.427   0.286    5.48    4       67.4       12.1
   85   8   3   1 30.765  61.529   0.286    5.46    8       75.5       30.1
   86   6   4   1 30.889  61.779   0.287    5.41    8       29.9        4.7
   87   7   2   2 30.935  61.87    0.287    5.39    8       83.6       36.5
   88   0   4   2 30.999  61.997   0.288    5.37    4        9.7        0.2
   89   1   1   3 31.063  62.127   0.288    5.34    8       16.0        1.3
   90   1   4   2 31.148  62.296   0.289    5.31    8       39.0        7.8
   91   1   5   1 31.199  62.398   0.29     5.29    8       28.7        4.2
   92  10   1   1 31.222  62.444   0.29     5.28    8       14.7        1.1
   93  10   2   0 31.239  62.477   0.29     5.28    4       15.3        0.6
   94   8   1   2 31.33   62.661   0.291    5.24    8       54.2       14.9
   95   2   1   3 31.511  63.021   0.292    5.18    8       64.6       20.9
   96   2   4   2 31.595  63.189   0.293    5.15    8       69.2       23.9
   97   4   5   0 31.609  63.218   0.293    5.14    4        5.3        0.1
   98   2   5   1 31.645  63.29    0.293    5.13    8       50.4       12.6
   99   6   3   2 32.063  64.125   0.297    4.98    8        1.5        0.0
  100   3   1   3 32.248  64.496   0.298    4.92    8       23.5        2.6
  101   3   4   2 32.331  64.662   0.299    4.9     8       41.1        8.0
  102   3   5   1 32.381  64.762   0.299    4.88    8       41.3        8.1
  103   0   2   3 32.738  65.476   0.302    4.77    4      260.4      156.6
  104   7   4   1 32.808  65.617   0.303    4.74    8       27.1        3.4
  105   1   2   3 32.883  65.767   0.303    4.72    8       51.1       12.0
  106  10   2   1 33.037  66.074   0.305    4.67    8       19.4        1.7
  107   8   2   2 33.142  66.284   0.306    4.64    8       21.8        2.1
  108   8   4   0 33.208  66.415   0.306    4.62    4       64.5        9.3
  109   9   0   2 33.218  66.436   0.306    4.62    4      159.4       56.9
  110   4   1   3 33.266  66.532   0.307    4.61    8        1.0        0.0
  111   9   3   1 33.267  66.534   0.307    4.61    8      165.1      121.7
  112   2   2   3 33.317  66.634   0.307    4.59    8        0.7        0.0
  113   4   4   2 33.348  66.695   0.307    4.58    8        8.7        0.3
  114   4   5   1 33.396  66.793   0.308    4.57    8       32.0        4.5
  115   9   1   2 33.81   67.62    0.311    4.45    8       78.4       26.5
  116   7   3   2 33.946  67.891   0.312    4.41    8        5.5        0.1
  117   3   2   3 34.034  68.068   0.313    4.39    8       18.3        1.4
  118  10   3   0 34.235  68.47    0.314    4.34    4        6.9        0.1
  119  11   1   1 34.277  68.553   0.315    4.33    8        8.7        0.3
  120   6   5   0 34.504  69.008   0.317    4.27    4      134.2       37.3
  121   5   1   3 34.552  69.104   0.317    4.25    8       17.2        1.2
  122   5   4   2 34.632  69.264   0.318    4.23    8        2.5        0.0
  123   5   5   1 34.68   69.36    0.318    4.22    8       79.3       25.7
  124   8   4   1 34.953  69.906   0.32     4.16    8       13.8        0.8
  125   4   2   3 35.026  70.051   0.321    4.14    8       28.9        3.4
  126  12   0   0 35.214  70.429   0.322    4.09    2      245.0       59.6
  127   9   2   2 35.557  71.114   0.325    4.02    8       65.7       16.8
  128  12   1   0 35.791  71.581   0.327    3.96    4        0.9        0.0
  129   1   3   3 35.809  71.618   0.327    3.96    8       84.8       27.6
  130   0   6   0 35.812  71.624   0.327    3.96    2      320.9       98.8
  131  10   0   2 35.909  71.819   0.328    3.94    4       12.1        0.3
  132  10   3   1 35.957  71.913   0.328    3.93    8      157.8       94.9
  133  11   2   1 36.013  72.026   0.329    3.92    8       45.6        7.9
  134   8   3   2 36.058  72.116   0.329    3.91    8       20.2        1.5
  135   6   1   3 36.095  72.189   0.329    3.9     8       23.8        2.1
  136   6   4   2 36.173  72.346   0.33     3.88    8       25.6        2.5
  137   6   5   1 36.22   72.441   0.33     3.87    8       59.4       13.2
  138   2   3   3 36.226  72.453   0.33     3.87    8      192.5      139.2
  139   5   2   3 36.283  72.565   0.331    3.86    8       17.1        1.1
  140   2   6   0 36.368  72.735   0.331    3.84    4        6.6        0.1
  141   1   5   2 36.46   72.92    0.332    3.82    8       60.5       13.6
  142  10   1   2 36.481  72.962   0.332    3.82    8       38.8        5.6
  143   2   5   2 36.874  73.748   0.335    3.74    8       33.6        4.1
  144   3   3   3 36.918  73.835   0.336    3.74    8       26.4        2.5
  145   9   4   1 37.315  74.63    0.339    3.66    8       11.0        0.4
  146  12   1   1 37.482  74.964   0.34     3.63    8       19.2        1.3
  147  12   2   0 37.498  74.995   0.34     3.63    4       11.1        0.2
  148   0   6   1 37.503  75.006   0.34     3.63    4        9.3        0.2
  149   3   5   2 37.561  75.122   0.341    3.62    8      113.6       45.3
  150   1   6   1 37.64   75.28    0.341    3.6     8        9.8        0.3
  151   6   2   3 37.796  75.593   0.343    3.58    8        4.4        0.1
  152   4   3   3 37.877  75.755   0.343    3.56    8       11.6        0.5
  153   7   1   3 37.884  75.768   0.343    3.56    8       13.7        0.7
  154   7   4   2 37.962  75.923   0.344    3.55    8       29.0        2.9
  155   7   5   1 38.008  76.016   0.344    3.54    8       64.7       14.4
  156   4   6   0 38.016  76.033   0.344    3.54    4       80.6       11.1
  157   2   6   1 38.049  76.099   0.345    3.54    8        6.5        0.1
  158  10   2   2 38.176  76.353   0.346    3.52    8       41.8        6.0
  159  10   4   0 38.238  76.476   0.346    3.51    4       21.8        0.8
  160   8   5   0 38.383  76.766   0.347    3.48    4        4.5        0.0
  161   9   3   2 38.393  76.786   0.347    3.48    8       19.6        1.3
  162   4   5   2 38.515  77.03    0.348    3.46    8       18.9        1.2
  163   3   6   1 38.729  77.458   0.35     3.43    8       26.4        2.3
  164  11   0   2 38.791  77.582   0.35     3.42    4      156.7       40.7
  165  11   3   1 38.837  77.674   0.351    3.41    8      182.9      110.8
  166   5   3   3 39.1    78.199   0.353    3.38    8       33.0        3.6
  167  12   2   1 39.163  78.325   0.353    3.37    8       50.6        8.4
  168  11   1   2 39.348  78.695   0.354    3.34    8      102.6       34.1
  169   7   2   3 39.559  79.118   0.356    3.31    8       31.5        3.2
  170   0   4   3 39.616  79.233   0.356    3.3     4      134.8       29.1
  171   4   6   1 39.674  79.349   0.357    3.3     8       12.8        0.5
  172   5   5   2 39.731  79.463   0.357    3.29    8       63.7       12.9
  173   1   4   3 39.751  79.502   0.357    3.29    8       20.6        1.4
  174  10   4   1 39.893  79.787   0.359    3.27    8        1.8        0.0
  175   8   1   3 39.915  79.83    0.359    3.27    8        8.9        0.3
  176   8   4   2 39.991  79.982   0.359    3.26    8        1.9        0.0
  177   8   5   1 40.037  80.074   0.36     3.25    8       27.2        2.3
  178   2   4   3 40.154  80.308   0.36     3.24    8        3.7        0.0
  179  12   3   0 40.286  80.573   0.361    3.22    4        3.1        0.0
  180   6   3   3 40.579  81.158   0.364    3.19    8      180.8      100.9
  181   6   6   0 40.715  81.431   0.365    3.17    4        6.1        0.1
  182   3   4   3 40.824  81.648   0.365    3.16    8        4.8        0.1
  183  13   1   1 40.861  81.723   0.366    3.15    8       29.1        2.6
  184   5   6   1 40.882  81.763   0.366    3.15    8        4.6        0.1
  185  10   3   2 40.952  81.903   0.366    3.14    8        1.0        0.0
  186  11   2   2 41.006  82.012   0.367    3.14    8       17.8        1.0
  187   6   5   2 41.205  82.41    0.368    3.12    8       29.5        2.6
  188   8   2   3 41.568  83.136   0.371    3.08    8       76.7       17.6
  189   4   4   3 41.758  83.516   0.372    3.06    8       34.4        3.5
  190  12   0   2 41.876  83.752   0.373    3.05    4       41.9        2.6
  191  12   3   1 41.921  83.843   0.373    3.05    8      117.6       40.9
  192   9   1   3 42.186  84.373   0.375    3.02    8        6.3        0.1
  193   9   4   2 42.262  84.523   0.376    3.01    8       11.3        0.4
  194   0   0   4 42.263  84.527   0.376    3.01    2       78.0        4.5
  195  14   0   0 42.279  84.558   0.376    3.01    2       11.9        0.1
  196   9   5   1 42.307  84.614   0.376    3.01    8       36.7        3.9
  197   7   3   3 42.312  84.625   0.376    3.01    8       38.1        4.2
  198   6   6   1 42.347  84.695   0.377    3.01    8        5.6        0.1
  199   1   0   4 42.396  84.792   0.377    3.0     4       33.9        1.7
  200  12   1   2 42.424  84.848   0.377    3.0     8       99.9       29.0
  201   0   6   2 42.444  84.888   0.377    3.0     4       21.1        0.6
  202  13   2   1 42.507  85.014   0.378    2.99    8       51.9        7.8
  203   1   6   2 42.577  85.153   0.378    2.99    8       18.5        1.0
  204  11   4   1 42.696  85.392   0.379    2.98    8       10.0        0.3
  205   2   0   4 42.795  85.589   0.38     2.97    4       72.7        7.6
  206  14   1   0 42.826  85.652   0.38     2.97    4      118.7       20.3
  207   7   5   2 42.934  85.869   0.381    2.96    8       45.7        6.0
  208   1   1   4 42.943  85.886   0.381    2.96    8       70.9       14.4
  209   5   4   3 42.954  85.907   0.381    2.96    8        3.3        0.0
  210   2   6   2 42.975  85.95    0.381    2.96    8      119.9       41.2
  211  10   5   0 43.204  86.407   0.383    2.94    4       11.6        0.2
  212   2   1   4 43.341  86.681   0.384    2.93    8       52.5        7.8
  213   3   0   4 43.457  86.915   0.384    2.92    4      121.2       20.8
  214   2   7   0 43.581  87.162   0.385    2.91    4        9.8        0.1
  215   3   6   2 43.638  87.275   0.386    2.91    8      137.2       53.1
  216  11   3   2 43.743  87.486   0.387    2.9     8        1.4        0.0
  217   9   2   3 43.825  87.65    0.387    2.9     8        0.6        0.0
  218   3   1   4 44.003  88.006   0.388    2.88    8       11.4        0.4
  219  12   2   2 44.062  88.124   0.389    2.88    8       16.4        0.8
  220   7   6   1 44.071  88.142   0.389    2.88    8        5.0        0.1
  221  12   4   0 44.122  88.244   0.389    2.88    4       11.7        0.2
  222   8   3   3 44.301  88.602   0.39     2.87    8        5.8        0.1
  223   4   0   4 44.384  88.769   0.391    2.86    4      149.2       30.9
  224   6   4   3 44.411  88.821   0.391    2.86    8        1.0        0.0
  225   8   6   0 44.436  88.872   0.391    2.86    4      119.2       19.7
  226   0   2   4 44.447  88.894   0.391    2.86    4       52.9        3.9
  227  14   1   1 44.448  88.896   0.391    2.86    8       25.9        1.9
  228  14   2   0 44.463  88.926   0.392    2.86    4        3.9        0.0
  229   4   6   2 44.564  89.128   0.392    2.85    8       45.6        5.8
  230   1   2   4 44.579  89.159   0.392    2.85    8       50.1        6.9
  231   1   5   3 44.684  89.369   0.393    2.84    8       23.7        1.5
  232  10   1   3 44.705  89.409   0.393    2.84    8       55.3        8.4
  233  10   4   2 44.78   89.559   0.394    2.84    8       11.5        0.4
  234   1   7   1 44.804  89.608   0.394    2.84    8        3.1        0.0
  235  10   5   1 44.824  89.649   0.394    2.84    8       29.8        2.4
  236   8   5   2 44.921  89.841   0.395    2.83    8       71.5       14.1
  237   4   1   4 44.929  89.858   0.395    2.83    8       18.7        1.0
  238   2   2   4 44.976  89.953   0.395    2.83    8       27.1        2.0


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (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   2   1   0   7.87   15.739  6.53279      384.1     63.7     64.7     5.6
    2   4   0   0  11.082  22.164  4.6535       403.2     66.9     67.6     5.6
    3   1   1   1  11.55   23.1    4.46735       16.9      2.8      2.8     5.6
    4   2   1   1  12.523  25.046  4.12514       28.6      4.7      4.8     5.6
    5   0   2   1  14.922  29.845  3.47352       20.4      3.4      3.4     5.6
    6   4   1   1  15.864  31.728  3.27211       77.0     12.8     12.8     5.6
    7   4   2   0  15.893  31.785  3.2664       464.6     77.1     77.3     5.6
    8   2   2   1  15.954  31.907  3.25426      485.2     80.5     80.7     5.6
    9   3   2   1  17.164  34.329  3.0309       527.6     87.5     87.6     5.7
   10   6   1   0  17.72   35.44   2.93878      602.8    100.0    100.0     5.7
   11   2   3   0  17.935  35.871  2.90463       26.7      4.4      4.4     5.7
   12   5   1   1  18.002  36.003  2.8943       134.0     22.2     22.2     5.7
   13   4   2   1  18.744  37.487  2.78358      266.9     44.3     44.2     5.7
   14   0   0   2  19.65   39.3    2.65995        8.6      1.4      1.4     5.7
   15   1   0   2  19.858  39.715  2.6332        71.8     11.9     11.9     5.7
   16   1   3   1  19.928  39.856  2.62429      481.9     79.9     79.6     5.7
   17   6   1   1  20.348  40.695  2.57238       39.4      6.5      6.5     5.7
   18   2   0   2  20.471  40.942  2.55755      162.1     26.9     26.8     5.7
   19   2   3   1  20.54   41.079  2.54938      278.1     46.1     45.9     5.7
   20   5   2   1  20.621  41.243  2.53971      229.6     38.1     37.9     5.7
   21   1   1   2  20.696  41.392  2.53096       41.1      6.8      6.8     5.7
   22   2   1   2  21.289  42.578  2.46356       10.6      1.8      1.7     5.7
   23   3   0   2  21.461  42.922  2.44476      271.8     45.1     44.8     5.7
   24   3   3   1  21.527  43.054  2.43763       93.5     15.5     15.4     5.7
   25   3   1   2  22.25   44.499  2.36229       28.9      4.8      4.8     5.7
   26   8   0   0  22.608  45.216  2.32675       34.2      5.7      5.6     5.7
   27   4   0   2  22.788  45.577  2.30931       43.0      7.1      7.1     5.7
   28   7   1   1  22.861  45.721  2.30239       58.1      9.6      9.5     5.7
   29   1   2   2  23.06   46.12   2.28354       16.9      2.8      2.8     5.7
   30   4   1   2  23.542  47.083  2.23942       18.4      3.1      3.0     5.7
   31   6   3   0  24.252  48.505  2.1776         6.6      1.1      1.1     5.7
   32   5   0   2  24.411  48.823  2.16427      220.9     36.6     36.1     5.7
   33   5   3   1  24.471  48.942  2.15931      273.1     45.3     44.7     5.7
   34   7   2   1  25.064  50.127  2.11145       79.2     13.1     12.9     5.7
   35   5   1   2  25.128  50.255  2.10642       70.8     11.7     11.6     5.8
   36   1   4   1  25.308  50.616  2.09238       17.3      2.9      2.8     5.8
   37   8   2   0  25.536  51.071  2.07496       40.1      6.7      6.5     5.8
   38   4   4   0  25.777  51.554  2.05685       13.5      2.2      2.2     5.8
   39   2   4   1  25.818  51.636  2.05381       56.6      9.4      9.2     5.8
   40   6   3   1  26.349  52.698  2.0153       151.3     25.1     24.6     5.8
   41   3   4   1  26.652  53.304  1.99402       21.2      3.5      3.4     5.8
   42   8   2   1  27.562  55.123  1.93313       54.3      9.0      8.8     5.8
   43   4   4   1  27.79   55.581  1.91846       15.1      2.5      2.4     5.8
   44   3   3   2  27.934  55.868  1.90938        9.8      1.6      1.6     5.8
   45   7   0   2  28.4    56.801  1.88058       92.1     15.3     14.9     5.8
   46   7   3   1  28.454  56.908  1.87733       44.7      7.4      7.2     5.8
   47   6   2   2  28.946  57.893  1.8481        20.3      3.4      3.3     5.8
   48   4   3   2  29.039  58.078  1.84272       21.6      3.6      3.5     5.8
   49   5   4   1  29.21   58.421  1.83284       30.7      5.1      5.0     5.8
   50  10   1   0  29.362  58.724  1.82421        6.1      1.0      1.0     5.8
   51   2   5   0  29.801  59.601  1.79977      120.0     19.9     19.3     5.8
   52   9   2   1  30.221  60.442  1.77706       27.8      4.6      4.5     5.8
   53   8   0   2  30.713  61.427  1.75129       12.1      2.0      1.9     5.8
   54   8   3   1  30.765  61.529  1.74866       30.1      5.0      4.8     5.8
   55   7   2   2  30.935  61.87   1.73997       36.5      6.1      5.9     5.8
   56   1   4   2  31.148  62.296  1.72925        7.8      1.3      1.3     5.8
   57   8   1   2  31.33   62.661  1.72021       14.9      2.5      2.4     5.8
   58   2   1   3  31.511  63.021  1.71137       20.9      3.5      3.4     5.9
   59   2   4   2  31.595  63.189  1.70729       24.0      4.0      3.8     5.9
   60   2   5   1  31.645  63.29   1.70485       12.6      2.1      2.0     5.9
   61   3   4   2  32.331  64.662  1.67248        8.0      1.3      1.3     5.9
   62   3   5   1  32.381  64.762  1.67019        8.1      1.3      1.3     5.9
   63   0   2   3  32.738  65.476  1.65396      156.6     26.0     25.0     5.9
   64   1   2   3  32.883  65.767  1.64747       12.0      2.0      1.9     5.9
   65   9   0   2  33.218  66.436  1.63274       66.3     11.0     10.6     5.9
   66   9   3   1  33.267  66.534  1.63061      121.7     20.2     19.4     5.9
   67   9   1   2  33.81   67.62   1.60747       26.5      4.4      4.2     5.9
   68   6   5   0  34.504  69.008  1.57902       37.3      6.2      5.9     5.9
   69   5   5   1  34.68   69.36   1.572         25.7      4.3      4.1     5.9
   70  12   0   0  35.214  70.429  1.55117       59.6      9.9      9.4     5.9
   71   9   2   2  35.557  71.114  1.53816       16.8      2.8      2.7     5.9
   72   0   6   0  35.812  71.624  1.52867      126.5     21.0     20.0     5.9
   73  10   3   1  35.957  71.913  1.52333       94.9     15.7     15.0     5.9
   74  11   2   1  36.013  72.026  1.52126        7.9      1.3      1.2     5.9
   75   2   3   3  36.226  72.453  1.51353      152.4     25.3     24.1     5.9
   76   1   5   2  36.46   72.92   1.50517       19.2      3.2      3.0     6.0
   77   3   5   2  37.561  75.122  1.46728       45.3      7.5      7.1     6.0
   78   7   5   1  38.008  76.016  1.45259       25.5      4.2      4.0     6.0
   79  11   0   2  38.791  77.582  1.42775       40.7      6.8      6.4     6.0
   80  11   3   1  38.837  77.674  1.42633      110.8     18.4     17.3     6.0
   81  12   2   1  39.163  78.325  1.41636        8.4      1.4      1.3     6.0
   82  11   1   2  39.348  78.695  1.41076       34.1      5.7      5.3     6.0
   83   0   4   3  39.616  79.233  1.40276       29.1      4.8      4.5     6.0
   84   5   5   2  39.731  79.463  1.39937       14.3      2.4      2.2     6.0
   85   6   3   3  40.579  81.158  1.37505      100.9     16.7     15.6     6.1
   86   8   2   3  41.568  83.136  1.34807       17.6      2.9      2.7     6.1
   87  12   3   1  41.921  83.843  1.33879       40.9      6.8      6.3     6.1
   88   7   3   3  42.312  84.625  1.32872        8.2      1.4      1.3     6.1
   89  12   1   2  42.424  84.848  1.32589       30.7      5.1      4.7     6.1
   90  13   2   1  42.507  85.014  1.32379        7.8      1.3      1.2     6.1
   91   2   0   4  42.795  85.589  1.3166         7.6      1.3      1.2     6.1
   92  14   1   0  42.826  85.652  1.31582       20.3      3.4      3.1     6.1
   93   1   1   4  42.943  85.886  1.31293       20.5      3.4      3.1     6.1
   94   2   6   2  42.975  85.95   1.31215       41.2      6.8      6.3     6.1
   95   2   1   4  43.341  86.681  1.30324        7.8      1.3      1.2     6.1
   96   3   0   4  43.457  86.915  1.30044       20.8      3.5      3.2     6.1
   97   3   6   2  43.638  87.275  1.29614       53.1      8.8      8.1     6.2
   98   4   0   4  44.384  88.769  1.27877       30.9      5.1      4.7     6.2
   99   8   6   0  44.436  88.872  1.2776        25.4      4.2      3.9     6.2
  100   1   2   4  44.579  89.159  1.27435       12.7      2.1      1.9     6.2
  101  10   1   3  44.705  89.409  1.27153       10.0      1.7      1.5     6.2
  102   8   5   2  44.921  89.841  1.26671       15.0      2.5      2.3     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)