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

6, t-hypersthene, at 900'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 =  18.596    alpha =   90.0 
             b =   9.1685   beta  =   90.0 
             c =   5.3113   gamma =   90.0 

    Unit cell volume (cub. angs.) =   905.56

    Molar volume ( cub.cm/mol.) =    34.09

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

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

   1 0.3749  0.651   0.8968   1.98   Fe    = 1.00
   2 0.3764  0.4886  0.3926   2.83   Fe    = 1.00
   3 0.2727  0.3371  0.0675   1.51   Si    = 1.00
   4 0.4752  0.3358  0.7742   1.47   Si    = 1.00
   5 0.1856  0.3386  0.0648   2.15   O     = 1.00
   6 0.3115  0.4917  0.0856   2.54   O     = 1.00
   7 0.3013  0.247   0.8239   2.57   O     = 1.00
   8 0.5622  0.3396  0.7731   2.2    O     = 1.00
   9 0.4342  0.4846  0.7077   2.41   O     = 1.00
  10 0.45    0.2189  0.5521   2.71   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3749     0.651      0.8968
     2       2     0.3764     0.4886     0.3926
     3       3     0.2727     0.3371     0.0675
     4       4     0.4752     0.3358     0.7742
     5       5     0.1856     0.3386     0.0648
     6       6     0.3115     0.4917     0.0856
     7       7     0.3013     0.247      0.8239
     8       8     0.5622     0.3396     0.7731
     9       9     0.4342     0.4846     0.7077
    10      10     0.45       0.2189     0.5521
    11       1     0.1251     0.349      0.3968
    12       2     0.1236     0.5114     0.8926
    13       3     0.2273     0.6629     0.5675
    14       4     0.0248     0.6642     0.2742
    15       5     0.3144     0.6614     0.5648
    16       6     0.1885     0.5083     0.5856
    17       7     0.1987     0.753      0.3239
    18       8     0.9378     0.6604     0.2731
    19       9     0.0658     0.5154     0.2077
    20      10     0.05       0.7811     0.0521
    21       1     0.1251     0.151      0.8968
    22       2     0.1236     0.9886     0.3926
    23       3     0.2273     0.8371     0.0675
    24       4     0.0248     0.8358     0.7742
    25       5     0.3144     0.8386     0.0648
    26       6     0.1885     0.9917     0.0856
    27       7     0.1987     0.747      0.8239
    28       8     0.9378     0.8396     0.7731
    29       9     0.0658     0.9846     0.7077
    30      10     0.05       0.7189     0.5521
    31       1     0.3749     0.849      0.3968
    32       2     0.3764     0.0114     0.8926
    33       3     0.2727     0.1629     0.5675
    34       4     0.4752     0.1642     0.2742
    35       5     0.1856     0.1614     0.5648
    36       6     0.3115     0.0083     0.5856
    37       7     0.3013     0.253      0.3239
    38       8     0.5622     0.1604     0.2731
    39       9     0.4342     0.0154     0.2077
    40      10     0.45       0.2811     0.0521
    41       1     0.8749     0.651      0.6032
    42       2     0.8764     0.4886     0.1074
    43       3     0.7727     0.3371     0.4325
    44       4     0.9752     0.3358     0.7258
    45       5     0.6856     0.3386     0.4352
    46       6     0.8115     0.4917     0.4144
    47       7     0.8013     0.247      0.6761
    48       8     0.0622     0.3396     0.7269
    49       9     0.9342     0.4846     0.7923
    50      10     0.95       0.2189     0.9479
    51       1     0.6251     0.349      0.1032
    52       2     0.6236     0.5114     0.6074
    53       3     0.7273     0.6629     0.9325
    54       4     0.5248     0.6642     0.2258
    55       5     0.8144     0.6614     0.9352
    56       6     0.6885     0.5083     0.9144
    57       7     0.6987     0.753      0.1761
    58       8     0.4378     0.6604     0.2269
    59       9     0.5658     0.5154     0.2923
    60      10     0.55       0.7811     0.4479
    61       1     0.6251     0.151      0.6032
    62       2     0.6236     0.9886     0.1074
    63       3     0.7273     0.8371     0.4325
    64       4     0.5248     0.8358     0.7258
    65       5     0.8144     0.8386     0.4352
    66       6     0.6885     0.9917     0.4144
    67       7     0.6987     0.747      0.6761
    68       8     0.4378     0.8396     0.7269
    69       9     0.5658     0.9846     0.7923
    70      10     0.55       0.7189     0.9479
    71       1     0.8749     0.849      0.1032
    72       2     0.8764     0.0114     0.6074
    73       3     0.7727     0.1629     0.9325
    74       4     0.9752     0.1642     0.2258
    75       5     0.6856     0.1614     0.9352
    76       6     0.8115     0.0083     0.9144
    77       7     0.8013     0.253      0.1761
    78       8     0.0622     0.1604     0.2269
    79       9     0.9342     0.0154     0.2923
    80      10     0.95       0.2811     0.4479


X-ray density (g/cm cub.)   =      3.87

MU (1/cm) =     188.4      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
                                                 2.1281       6
                                                 2.1336       9
                                                 2.0939       5
                                                 2.2406       5
                                                 2.1094       8
                                                 2.2743       8
    2    Fe                  2.592        4
                                                 2.0288       6
                                                 1.9894       9
                                                 2.1624       5
                                                 2.1353       8
    3    Si                  2.1          4
                                                 1.6198       5
                                                 1.5934       6
                                                 1.6246       7
                                                 1.6529       7
    4    Si                  2.1          4
                                                 1.6182       8
                                                 1.6023       9
                                                 1.6613      10
                                                 1.6278      10
    5    O                   3.264       11
                                                 2.732        6
                                                 2.6404       7
                                                 3.1741       6
                                                 2.9836       6
                                                 2.8578       9
                                                 3.1829       6
                                                 3.1132       5
                                                 3.1132       5
                                                 2.6719       7
                                                 2.9132       8
                                                 2.9456       8
    6    O                   3.264        9
                                                 2.732        5
                                                 2.646        7
                                                 3.0396       9
                                                 2.9836       5
                                                 3.1741       5
                                                 3.1829       5
                                                 2.5353       7
                                                 3.2239      10
                                                 2.9106       8
    7    O                   3.264        8
                                                 2.6404       5
                                                 2.646        6
                                                 3.13        10
                                                 2.6719       5
                                                 2.5353       6
                                                 2.6562       7
                                                 2.6562       7
                                                 3.0353      10
    8    O                   3.264       11
                                                 2.7484       9
                                                 2.6374      10
                                                 3.1228       8
                                                 3.1228       8
                                                 2.6148      10
                                                 2.9132       5
                                                 2.9106       6
                                                 3.1948       9
                                                 3.0205       9
                                                 3.2571       9
                                                 2.9456       5
    9    O                   3.264        8
                                                 3.0396       6
                                                 2.7484       8
                                                 2.5892      10
                                                 2.8578       5
                                                 2.6294      10
                                                 3.1948       8
                                                 3.0205       8
                                                 3.2571       8
   10    O                   3.264        9
                                                 3.13         7
                                                 2.6374       8
                                                 2.5892       9
                                                 3.2239       6
                                                 3.0353       7
                                                 2.6148       8
                                                 2.6294       9
                                                 2.7162      10
                                                 2.7162      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  5.52   11.041   0.054  213.14    2        1.9        0.2
    2   2   1   0  7.875  15.75    0.077  103.59    4       88.4      395.1
    3   4   0   0 11.093  22.186   0.108   51.13    2      182.0      413.3
    4   0   2   0 11.251  22.503   0.109   49.64    2       12.0        1.8
    5   1   1   1 11.565  23.13    0.112   46.87    8       19.4       17.2
    6   4   1   0 12.458  24.915   0.121   40.11    4        5.4        0.6
    7   2   1   1 12.539  25.078   0.121   39.57    8       33.8       44.1
    8   2   2   0 12.565  25.129   0.122   39.39    4        2.5        0.1
    9   3   1   1 14.021  28.043   0.135   31.24    8        9.5        2.7
   10   0   2   1 14.936  29.872   0.144   27.29    4       42.9       24.5
   11   1   2   1 15.2    30.4     0.147   26.29    8        9.4        2.3
   12   4   1   1 15.883  31.766   0.153   23.92    8       63.5       94.1
   13   4   2   0 15.904  31.807   0.153   23.85    4      200.1      465.9
   14   2   2   1 15.969  31.937   0.154   23.64    8      144.4      480.9
   15   6   0   0 16.774  33.548   0.161   21.25    2       13.0        0.9
   16   3   2   1 17.181  34.361   0.165   20.17    8      161.8      515.0
   17   6   1   0 17.737  35.473   0.17    18.82    4      259.4      617.6
   18   2   3   0 17.943  35.887   0.172   18.34    4       52.2       24.4
   19   5   1   1 18.022  36.044   0.173   18.17    8       85.6      130.0
   20   4   2   1 18.762  37.524   0.18    16.63    8      131.5      280.7
   21   0   0   2 19.683  39.366   0.188   14.96    2       31.4        3.6
   22   1   0   2 19.891  39.782   0.19    14.61    4       99.8       71.0
   23   1   3   1 19.942  39.885   0.191   14.53    8      189.6      509.7
   24   6   1   1 20.371  40.741   0.195   13.86    8       51.7       36.2
   25   6   2   0 20.387  40.775   0.195   13.83    4       14.9        1.5
   26   4   3   0 20.503  41.005   0.196   13.66    4       12.1        1.0
   27   2   0   2 20.505  41.009   0.196   13.66    4      153.7      157.5
   28   2   3   1 20.555  41.11    0.196   13.58    8      152.4      307.7
   29   5   2   1 20.642  41.283   0.197   13.45    8      134.2      236.4
   30   1   1   2 20.729  41.457   0.198   13.33    8       59.1       45.4
   31   2   1   2 21.322  42.645   0.203   12.51    8       28.7       10.1
   32   3   0   2 21.495  42.99    0.205   12.29    4      215.1      277.4
   33   3   3   1 21.543  43.087   0.205   12.23    8       86.4       89.0
   34   3   1   2 22.283  44.567   0.212   11.33    8       51.0       28.8
   35   8   0   0 22.631  45.262   0.215   10.94    2      114.5       35.0
   36   6   2   1 22.764  45.528   0.216   10.8     8       12.8        1.7
   37   4   0   2 22.823  45.647   0.217   10.73    4       79.1       32.7
   38   4   3   1 22.87   45.739   0.217   10.69    8       53.2       29.5
   39   7   1   1 22.886  45.772   0.217   10.67    8       53.7       30.0
   40   0   2   2 22.908  45.815   0.218   10.65    4       12.6        0.8
   41   0   4   0 22.969  45.938   0.218   10.58    2       27.6        2.0
   42   1   2   2 23.092  46.184   0.219   10.45    8       36.0       13.3
   43   8   1   0 23.389  46.778   0.222   10.16    4        1.4        0.0
   44   4   1   2 23.576  47.153   0.224    9.97    8       42.7       17.8
   45   2   2   2 23.638  47.276   0.224    9.92    8        4.0        0.2
   46   2   4   0 23.698  47.396   0.225    9.86    4        7.4        0.3
   47   6   3   0 24.27   48.539   0.23     9.34    4       38.5        6.7
   48   5   0   2 24.448  48.896   0.231    9.19    4      228.9      234.8
   49   5   3   1 24.491  48.983   0.232    9.15    8      164.6      241.7
   50   3   2   2 24.528  49.055   0.232    9.12    8       63.9       36.4
   51   7   2   1 25.089  50.178   0.237    8.66    8       99.0       82.8
   52   0   4   1 25.152  50.304   0.238    8.61    4        2.8        0.0
   53   5   1   2 25.164  50.327   0.238    8.6     8       95.3       76.2
   54   1   4   1 25.324  50.648   0.239    8.48    8       47.5       18.7
   55   8   1   1 25.545  51.089   0.241    8.31    8       45.3       16.6
   56   8   2   0 25.559  51.118   0.241    8.3     4       77.0       24.0
   57   4   2   2 25.734  51.469   0.243    8.17    8        7.1        0.4
   58   4   4   0 25.791  51.581   0.243    8.13    4       61.3       14.9
   59   2   4   1 25.834  51.669   0.244    8.1     8       84.0       55.8
   60   6   0   2 26.33   52.661   0.248    7.76    4        7.6        0.2
   61   6   3   1 26.372  52.743   0.248    7.73    8      148.0      165.2
   62   1   3   2 26.666  53.333   0.251    7.54    8        3.8        0.1
   63   3   4   1 26.67   53.34    0.251    7.53    8       52.9       20.6
   64   6   1   2 27.01   54.02    0.254    7.32    8       22.4        3.6
   65   2   3   2 27.159  54.318   0.255    7.23    8        8.5        0.5
   66   5   2   2 27.229  54.458   0.256    7.19    8       26.8        5.0
   67   8   2   1 27.59   55.18    0.259    6.98    8       92.6       58.4
   68   4   4   1 27.81   55.62    0.261    6.85    8       48.6       15.8
   69   3   3   2 27.967  55.934   0.262    6.76    8       40.4       10.8
   70   9   1   1 28.336  56.671   0.265    6.57    8        1.8        0.0
   71   7   0   2 28.44   56.881   0.266    6.51    4      180.4      103.3
   72   7   3   1 28.48   56.959   0.267    6.49    8       82.2       42.8
   73  10   0   0 28.75   57.501   0.269    6.35    2        4.4        0.0
   74   8   3   0 28.911  57.822   0.27     6.27    4        3.7        0.0
   75   6   2   2 28.984  57.968   0.271    6.24    8       54.2       17.9
   76   6   4   0 29.036  58.071   0.271    6.21    4        1.8        0.0
   77   4   3   2 29.073  58.146   0.272    6.2     8       42.5       10.9
   78   7   1   2 29.087  58.174   0.272    6.19    8       40.8       10.0
   79   5   4   1 29.232  58.464   0.273    6.12    8       75.7       34.2
   80  10   1   0 29.393  58.785   0.274    6.04    4       45.7        6.2
   81   2   5   0 29.814  59.628   0.278    5.85    4      208.4      124.0
   82   9   2   1 30.253  60.506   0.282    5.67    8       67.7       25.4
   83   5   3   2 30.457  60.914   0.283    5.58    8       17.7        1.7
   84   8   0   2 30.756  61.512   0.286    5.46    4       68.7       12.6
   85   8   3   1 30.793  61.587   0.286    5.45    8       75.6       30.4
   86   6   4   1 30.913  61.827   0.287    5.4     8       30.1        4.8
   87   7   2   2 30.975  61.95    0.288    5.38    8       88.4       41.0
   88   0   4   2 31.03   62.06    0.288    5.36    4        1.1        0.0
   89   1   1   3 31.118  62.235   0.289    5.32    8       17.0        1.5
   90   1   4   2 31.18   62.359   0.289    5.3     8       35.4        6.5
   91   1   5   1 31.217  62.434   0.29     5.29    8       27.3        3.8
   92  10   1   1 31.257  62.514   0.29     5.27    8       15.9        1.3
   93  10   2   0 31.269  62.539   0.29     5.27    4       17.4        0.8
   94   8   1   2 31.373  62.746   0.291    5.23    8       56.0       16.0
   95   2   1   3 31.565  63.131   0.293    5.16    8       65.6       21.6
   96   4   5   0 31.625  63.251   0.293    5.14    4        6.5        0.1
   97   2   4   2 31.627  63.254   0.293    5.14    8       72.4       26.3
   98   2   5   1 31.664  63.327   0.293    5.12    8       56.1       15.8
   99   6   3   2 32.1    64.201   0.297    4.97    8        0.7        0.0
  100   3   1   3 32.304  64.607   0.299    4.9     8       19.1        1.7
  101   3   4   2 32.364  64.729   0.299    4.88    8       40.3        7.7
  102   3   5   1 32.401  64.801   0.3      4.87    8       44.7        9.5
  103   0   2   3 32.792  65.584   0.303    4.75    4      263.2      160.4
  104   7   4   1 32.835  65.67    0.303    4.74    8       31.2        4.5
  105   1   2   3 32.937  65.875   0.304    4.7     8       58.1       15.5
  106  10   2   1 33.072  66.145   0.305    4.66    8       20.9        2.0
  107   8   2   2 33.185  66.37    0.306    4.63    8       22.1        2.2
  108   8   4   0 33.233  66.465   0.306    4.62    4       65.1        9.5
  109   9   0   2 33.264  66.527   0.307    4.61    4      167.4       63.0
  110   9   3   1 33.3    66.599   0.307    4.6     8      165.6      122.9
  111   4   1   3 33.322  66.645   0.307    4.59    8        0.2        0.0
  112   2   2   3 33.372  66.743   0.307    4.57    8        3.6        0.1
  113   4   4   2 33.382  66.764   0.308    4.57    8       11.1        0.5
  114   4   5   1 33.418  66.836   0.308    4.56    8       34.9        5.4
  115   9   1   2 33.855  67.711   0.311    4.44    8       79.7       27.5
  116   7   3   2 33.986  67.972   0.312    4.4     8        6.6        0.2
  117   3   2   3 34.089  68.178   0.313    4.37    8       20.8        1.8
  118  10   3   0 34.266  68.533   0.315    4.33    4        6.2        0.1
  119  11   1   1 34.316  68.632   0.315    4.32    8       10.8        0.5
  120   6   5   0 34.525  69.05    0.317    4.26    4      140.7       41.2
  121   5   1   3 34.61   69.219   0.318    4.24    8       29.6        3.6
  122   5   4   2 34.668  69.337   0.318    4.23    8        6.6        0.2
  123   5   5   1 34.704  69.407   0.318    4.22    8       78.6       25.4
  124   8   4   1 34.983  69.966   0.32     4.15    8       14.3        0.8
  125   4   2   3 35.082  70.164   0.321    4.13    8       29.2        3.4
  126  12   0   0 35.254  70.507   0.323    4.09    2      252.3       63.4
  127   9   2   2 35.603  71.206   0.325    4.01    8       73.6       21.1
  128   0   6   0 35.828  71.655   0.327    3.96    2      334.5      108.0
  129  12   1   0 35.83   71.66    0.327    3.96    4        1.4        0.0
  130   1   3   3 35.863  71.726   0.327    3.95    8       95.0       34.8
  131  10   0   2 35.958  71.917   0.328    3.93    4        9.9        0.2
  132  10   3   1 35.993  71.986   0.329    3.92    8      166.6      106.2
  133  11   2   1 36.053  72.106   0.329    3.91    8       48.2        8.9
  134   8   3   2 36.101  72.202   0.329    3.9     8       20.0        1.5
  135   6   1   3 36.154  72.309   0.33     3.89    8       26.0        2.6
  136   6   4   2 36.212  72.424   0.33     3.88    8       24.8        2.3
  137   6   5   1 36.246  72.493   0.331    3.87    8       57.5       12.5
  138   2   3   3 36.281  72.562   0.331    3.86    8      194.4      142.3
  139   5   2   3 36.341  72.681   0.331    3.85    8       20.5        1.6
  140   2   6   0 36.384  72.769   0.332    3.84    4       10.1        0.2
  141   1   5   2 36.493  72.986   0.332    3.82    8       62.0       14.3
  142  10   1   2 36.53   73.06    0.333    3.81    8       34.9        4.5
  143   2   5   2 36.908  73.816   0.336    3.74    8       28.3        2.9
  144   3   3   3 36.973  73.946   0.336    3.72    8       25.0        2.3
  145   9   4   1 37.349  74.697   0.339    3.66    8        9.6        0.3
  146   0   6   1 37.524  75.048   0.34     3.62    4        4.5        0.0
  147  12   1   1 37.526  75.052   0.34     3.62    8       16.2        0.9
  148  12   2   0 37.538  75.075   0.341    3.62    4       11.5        0.2
  149   3   5   2 37.596  75.191   0.341    3.61    8      119.2       50.0
  150   1   6   1 37.661  75.322   0.342    3.6     8        8.9        0.3
  151   6   2   3 37.856  75.713   0.343    3.57    8        6.0        0.1
  152   4   3   3 37.934  75.868   0.344    3.55    8       14.7        0.7
  153   7   1   3 37.946  75.893   0.344    3.55    8       11.6        0.5
  154   7   4   2 38.003  76.006   0.344    3.54    8       33.8        4.0
  155   4   6   0 38.036  76.072   0.344    3.54    4       85.6       12.6
  156   7   5   1 38.037  76.074   0.344    3.54    8       65.1       14.6
  157   2   6   1 38.071  76.143   0.345    3.53    8        5.9        0.1
  158  10   2   2 38.226  76.452   0.346    3.51    8       38.3        5.0
  159  10   4   0 38.271  76.542   0.346    3.5     4       24.1        1.0
  160   8   5   0 38.411  76.822   0.347    3.48    4        6.8        0.1
  161   9   3   2 38.44   76.88    0.348    3.47    8       19.4        1.3
  162   4   5   2 38.551  77.103   0.348    3.46    8       19.0        1.2
  163   3   6   1 38.752  77.504   0.35     3.43    8       27.1        2.4
  164  11   0   2 38.844  77.688   0.351    3.41    4      167.1       46.5
  165  11   3   1 38.878  77.756   0.351    3.41    8      187.4      116.8
  166   5   3   3 39.158  78.316   0.353    3.37    8       49.4        8.0
  167  12   2   1 39.207  78.415   0.353    3.36    8       53.1        9.2
  168  11   1   2 39.401  78.802   0.355    3.33    8      106.4       36.8
  169   7   2   3 39.622  79.244   0.356    3.3     8       37.7        4.6
  170   0   4   3 39.671  79.342   0.357    3.3     4      140.3       31.7
  171   4   6   1 39.699  79.398   0.357    3.29    8       14.3        0.7
  172   5   5   2 39.77   79.54    0.358    3.28    8       68.3       14.9
  173   1   4   3 39.806  79.612   0.358    3.28    8       25.9        2.1
  174  10   4   1 39.932  79.863   0.359    3.26    8        2.3        0.0
  175   8   1   3 39.98   79.96    0.359    3.26    8        8.7        0.2
  176   8   4   2 40.036  80.072   0.36     3.25    8        1.9        0.0
  177   8   5   1 40.069  80.139   0.36     3.25    8       26.8        2.3
  178   2   4   3 40.21   80.419   0.361    3.23    8        6.2        0.1
  179  12   3   0 40.328  80.655   0.362    3.21    4        4.8        0.0
  180   6   3   3 40.64   81.28    0.364    3.18    8      185.2      106.3
  181   6   6   0 40.74   81.48    0.365    3.17    4        9.9        0.2
  182   3   4   3 40.881  81.761   0.366    3.15    8        7.8        0.2
  183   5   6   1 40.908  81.817   0.366    3.15    8        1.9        0.0
  184  13   1   1 40.911  81.822   0.366    3.15    8       28.9        2.6
  185  10   3   2 41.003  82.005   0.367    3.14    8        1.6        0.0
  186  11   2   2 41.06   82.121   0.367    3.13    8       18.0        1.0
  187   6   5   2 41.246  82.492   0.369    3.11    8       28.9        2.5
  188   8   2   3 41.634  83.268   0.371    3.07    8       77.1       17.8
  189   4   4   3 41.816  83.632   0.373    3.06    8       34.1        3.5
  190  12   0   2 41.934  83.869   0.374    3.04    4       37.4        2.1
  191  12   3   1 41.968  83.935   0.374    3.04    8      123.4       45.2
  192   9   1   3 42.255  84.51    0.376    3.02    8       11.1        0.4
  193   9   4   2 42.31   84.62    0.376    3.01    8        8.0        0.2
  194  14   0   0 42.33   84.659   0.376    3.01    2       16.4        0.2
  195   9   5   1 42.343  84.687   0.377    3.01    8       37.0        4.0
  196   0   0   4 42.348  84.695   0.377    3.01    2       97.9        7.0
  197   7   3   3 42.376  84.753   0.377    3.0     8       48.2        6.8
  198   6   6   1 42.377  84.754   0.377    3.0     8        7.7        0.2
  199   0   6   2 42.48   84.96    0.378    3.0     4       16.0        0.4
  200   1   0   4 42.481  84.962   0.378    3.0     4       38.3        2.1
  201  12   1   2 42.482  84.965   0.378    3.0     8      103.4       31.3
  202  13   2   1 42.558  85.115   0.378    2.99    8       53.7        8.4
  203   1   6   2 42.613  85.226   0.378    2.98    8       20.8        1.3
  204  11   4   1 42.739  85.479   0.379    2.97    8       12.3        0.4
  205  14   1   0 42.877  85.754   0.38     2.96    4      121.1       21.2
  206   2   0   4 42.88   85.76    0.38     2.96    4       74.1        7.9
  207   7   5   2 42.979  85.957   0.381    2.96    8       49.5        7.1
  208   2   6   2 43.012  86.024   0.381    2.95    8      120.5       41.8
  209   5   4   3 43.014  86.028   0.381    2.95    8        5.2        0.1
  210   1   1   4 43.028  86.056   0.381    2.95    8       74.2       15.9
  211  10   5   0 43.24   86.479   0.383    2.94    4       10.8        0.2
  212   2   1   4 43.426  86.852   0.384    2.92    8       54.5        8.5
  213   3   0   4 43.544  87.088   0.385    2.91    4      116.7       19.4
  214   2   7   0 43.602  87.204   0.386    2.91    4        9.8        0.1
  215   3   6   2 43.676  87.352   0.386    2.91    8      143.3       58.2
  216  11   3   2 43.799  87.598   0.387    2.9     8        4.6        0.1
  217   9   2   3 43.895  87.79    0.388    2.89    8        1.1        0.0
  218   3   1   4 44.09   88.179   0.389    2.88    8        7.3        0.1
  219   7   6   1 44.104  88.207   0.389    2.88    8        6.1        0.1
  220  12   2   2 44.121  88.243   0.389    2.88    8       15.8        0.7
  221  12   4   0 44.165  88.331   0.389    2.87    4       12.9        0.2
  222   8   3   3 44.368  88.736   0.391    2.86    8        9.0        0.2
  223   8   6   0 44.467  88.934   0.392    2.86    4      123.7       21.3
  224   4   0   4 44.472  88.945   0.392    2.86    4      162.1       36.6
  225   6   4   3 44.474  88.948   0.392    2.86    8        2.3        0.0
  226  14   1   1 44.504  89.007   0.392    2.85    8       30.7        2.6
  227  14   2   0 44.515  89.029   0.392    2.85    4        1.3        0.0
  228   0   2   4 44.533  89.065   0.392    2.85    4       63.8        5.7
  229   4   6   2 44.604  89.208   0.393    2.85    8       41.7        4.8
  230   1   2   4 44.665  89.331   0.393    2.85    8       52.5        7.7
  231   1   5   3 44.742  89.484   0.393    2.84    8       26.6        2.0
  232  10   1   3 44.778  89.556   0.394    2.84    8       55.8        8.6
  233   1   7   1 44.83   89.66    0.394    2.84    8        1.4        0.0
  234  10   4   2 44.833  89.666   0.394    2.84    8       13.5        0.5
  235  10   5   1 44.866  89.731   0.394    2.84    8       32.7        3.0
  236   8   5   2 44.969  89.937   0.395    2.83    8       73.9       15.1


  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   7.875  15.75   6.52841      395.1     64.0     64.9     5.6
    2   4   0   0  11.093  22.186  4.649        413.3     66.9     67.6     5.6
    3   1   1   1  11.565  23.13   4.4616        17.2      2.8      2.8     5.6
    4   2   1   1  12.539  25.078  4.12002       44.3      7.2      7.2     5.6
    5   0   2   1  14.936  29.872  3.47037       24.5      4.0      4.0     5.6
    6   4   2   0  15.904  31.807  3.26421      560.0     90.7     91.0     5.6
    7   2   2   1  15.969  31.937  3.25128      480.9     77.9     78.1     5.6
    8   3   2   1  17.181  34.361  3.0281       515.0     83.4     83.5     5.7
    9   6   1   0  17.737  35.473  2.93611      617.6    100.0    100.0     5.7
   10   2   3   0  17.943  35.887  2.90335       24.4      4.0      4.0     5.7
   11   5   1   1  18.022  36.044  2.89111      130.0     21.0     21.0     5.7
   12   4   2   1  18.762  37.524  2.78099      280.7     45.5     45.4     5.7
   13   1   0   2  19.891  39.782  2.62898       71.0     11.5     11.5     5.7
   14   1   3   1  19.942  39.885  2.62247      509.7     82.5     82.2     5.7
   15   6   1   1  20.371  40.741  2.56962       37.7      6.1      6.1     5.7
   16   2   0   2  20.505  41.009  2.55354      157.5     25.5     25.4     5.7
   17   2   3   1  20.555  41.11   2.54757      307.7     49.8     49.5     5.7
   18   5   2   1  20.642  41.283  2.53733      236.4     38.3     38.1     5.7
   19   1   1   2  20.729  41.457  2.52714       45.4      7.4      7.3     5.7
   20   2   1   2  21.322  42.645  2.45991       10.1      1.6      1.6     5.7
   21   3   0   2  21.495  42.99   2.44106      277.4     44.9     44.6     5.7
   22   3   3   1  21.543  43.087  2.43585       89.0     14.4     14.3     5.7
   23   3   1   2  22.283  44.567  2.35888       28.8      4.7      4.6     5.7
   24   8   0   0  22.631  45.262  2.3245        35.0      5.7      5.6     5.7
   25   4   0   2  22.823  45.647  2.30595       32.7      5.3      5.2     5.7
   26   7   1   1  22.886  45.772  2.29997       59.5      9.6      9.5     5.7
   27   1   2   2  23.092  46.184  2.28057       13.3      2.1      2.1     5.7
   28   4   1   2  23.576  47.153  2.2363        17.8      2.9      2.8     5.7
   29   6   3   0  24.27   48.539  2.17614        6.7      1.1      1.1     5.7
   30   5   0   2  24.448  48.896  2.16124      234.8     38.0     37.5     5.7
   31   5   3   1  24.491  48.983  2.15762      241.7     39.1     38.6     5.7
   32   3   2   2  24.528  49.055  2.15463       36.4      5.9      5.8     5.7
   33   7   2   1  25.089  50.178  2.10946       82.8     13.4     13.2     5.7
   34   5   1   2  25.164  50.327  2.10359       76.2     12.3     12.1     5.8
   35   1   4   1  25.324  50.648  2.09117       18.7      3.0      3.0     5.8
   36   8   2   0  25.559  51.118  2.07321       40.6      6.6      6.5     5.8
   37   4   4   0  25.791  51.581  2.05583       14.9      2.4      2.4     5.8
   38   2   4   1  25.834  51.669  2.05259       55.8      9.0      8.9     5.8
   39   6   3   1  26.372  52.743  2.01367      165.2     26.8     26.3     5.8
   40   3   4   1  26.67   53.34   1.99279       20.6      3.3      3.3     5.8
   41   8   2   1  27.59   55.18   1.93129       58.4      9.5      9.2     5.8
   42   4   4   1  27.81   55.62   1.91722       15.8      2.6      2.5     5.8
   43   3   3   2  27.967  55.934  1.90733       10.8      1.7      1.7     5.8
   44   7   0   2  28.44   56.881  1.87815      103.3     16.7     16.3     5.8
   45   7   3   1  28.48   56.959  1.87578       42.8      6.9      6.8     5.8
   46   6   2   2  28.984  57.968  1.84591       17.9      2.9      2.8     5.8
   47   4   3   2  29.073  58.146  1.84075       20.9      3.4      3.3     5.8
   48   5   4   1  29.232  58.464  1.83161       34.2      5.5      5.4     5.8
   49   2   5   0  29.814  59.628  1.79905      124.0     20.1     19.5     5.8
   50   9   2   1  30.253  60.506  1.77537       25.4      4.1      4.0     5.8
   51   8   0   2  30.756  61.512  1.7491        12.6      2.0      2.0     5.8
   52   8   3   1  30.793  61.587  1.74718       30.4      4.9      4.8     5.8
   53   7   2   2  30.975  61.95   1.73795       41.0      6.6      6.4     5.8
   54   1   4   2  31.18   62.359  1.72768        6.5      1.1      1.0     5.8
   55   8   1   2  31.373  62.746  1.71812       16.0      2.6      2.5     5.9
   56   2   1   3  31.565  63.131  1.70872       21.6      3.5      3.4     5.9
   57   2   4   2  31.627  63.254  1.70573       26.3      4.3      4.1     5.9
   58   2   5   1  31.664  63.327  1.70395       15.8      2.6      2.5     5.9
   59   3   4   2  32.364  64.729  1.67095        7.7      1.3      1.2     5.9
   60   3   5   1  32.401  64.801  1.66927        9.5      1.5      1.5     5.9
   61   0   2   3  32.792  65.584  1.65155      160.4     26.0     25.0     5.9
   62   1   2   3  32.937  65.875  1.64507       15.5      2.5      2.4     5.9
   63   8   4   0  33.233  66.465  1.6321         9.5      1.5      1.5     5.9
   64   9   0   2  33.264  66.527  1.63076       63.0     10.2      9.8     5.9
   65   9   3   1  33.3    66.599  1.62921      122.9     19.9     19.1     5.9
   66   9   1   2  33.855  67.711  1.60556       27.5      4.4      4.3     5.9
   67   6   5   0  34.525  69.05   1.57817       41.2      6.7      6.4     5.9
   68   5   5   1  34.704  69.407  1.57107       25.4      4.1      3.9     5.9
   69  12   0   0  35.254  70.507  1.54967       63.4     10.3      9.8     5.9
   70   9   2   2  35.603  71.206  1.53644       21.1      3.4      3.3     5.9
   71   0   6   0  35.828  71.655  1.52808      108.0     17.5     16.7     5.9
   72   1   3   3  35.863  71.726  1.52677       34.8      5.6      5.4     5.9
   73  10   3   1  35.993  71.986  1.522        106.2     17.2     16.4     5.9
   74  11   2   1  36.053  72.106  1.51981        8.9      1.4      1.4     5.9
   75   6   5   1  36.246  72.493  1.5128        12.5      2.0      1.9     5.9
   76   2   3   3  36.281  72.562  1.51157      142.3     23.0     21.9     6.0
   77   1   5   2  36.493  72.986  1.50399       14.3      2.3      2.2     6.0
   78   3   5   2  37.596  75.191  1.46612       50.0      8.1      7.7     6.0
   79   7   5   1  38.037  76.074  1.45165       27.3      4.4      4.2     6.0
   80  11   0   2  38.844  77.688  1.42611       46.5      7.5      7.1     6.0
   81  11   3   1  38.878  77.756  1.42506      116.8     18.9     17.8     6.0
   82   5   3   3  39.158  78.316  1.41649        8.0      1.3      1.2     6.0
   83  12   2   1  39.207  78.415  1.415          9.2      1.5      1.4     6.0
   84  11   1   2  39.401  78.802  1.40916       36.8      6.0      5.6     6.0
   85   0   4   3  39.671  79.342  1.40114       32.3      5.2      4.9     6.0
   86   5   5   2  39.77   79.54   1.39824       14.9      2.4      2.3     6.0
   87   6   3   3  40.64   81.28   1.37334      106.3     17.2     16.1     6.1
   88   8   2   3  41.634  83.268  1.34633       17.8      2.9      2.7     6.1
   89  12   3   1  41.968  83.935  1.33759       45.2      7.3      6.8     6.1
   90   0   0   4  42.348  84.695  1.32782       18.0      2.9      2.7     6.1
   91  12   1   2  42.482  84.965  1.32441       33.4      5.4      5.0     6.1
   92  13   2   1  42.558  85.115  1.32252        8.4      1.4      1.3     6.1
   93  14   1   0  42.877  85.754  1.31456       29.1      4.7      4.4     6.1
   94   7   5   2  42.979  85.957  1.31206        7.1      1.1      1.1     6.1
   95   2   6   2  43.012  86.024  1.31123       57.8      9.4      8.6     6.1
   96   2   1   4  43.426  86.852  1.30118        8.5      1.4      1.3     6.1
   97   3   0   4  43.544  87.088  1.29837       19.4      3.1      2.9     6.1
   98   3   6   2  43.676  87.352  1.29523       58.2      9.4      8.7     6.2
   99   4   0   4  44.472  88.945  1.27677       57.9      9.4      8.6     6.2
  100   0   2   4  44.533  89.065  1.2754         8.3      1.3      1.2     6.2
  101   1   2   4  44.665  89.331  1.27241        7.7      1.2      1.1     6.2
  102  10   1   3  44.778  89.556  1.26989        8.6      1.4      1.3     6.2
  103   8   5   2  44.969  89.937  1.26565       15.1      2.4      2.2     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)