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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EPIDOTE

4, syn, t-epidote, f-epidote, s-epidote

Ca(2)Al(2.4)Fe(0.6)Si(3)O(13)


Monoclinic  P 2(1)/m  Z = 2

P2(1)/m

21 .2 .1902

Ref.Str.:

         Giuli G., Bonazzi P., Menchetti S. (1987)

         * Amer. Mineral., 84, 933-936

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   8.891    alpha =   90.0 
             b =   5.624    beta  =  115.43
             c =  10.164    gamma =   90.0 

    Unit cell volume (cub. angs.) =   458.97

    Molar volume ( cub.cm/mol.) =   138.23

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

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

   1 0.7574  0.75    0.1517   0.0    Ca    = 1.00
   2 0.6047  0.75    0.4241   0.0    Ca    = 1.00
   3 0.0     0.0     0.0      0.0    Al    = 0.92, Fe    = 0.08
   4 0.0     0.0     0.5      0.0    Al    = 1.00
   5 0.2936  0.25    0.2247   0.0    Al    = 0.4 , Fe    = 0.6 
   6 0.3383  0.75    0.0467   0.0    Si    = 1.00
   7 0.6832  0.25    0.2742   0.0    Si    = 1.00
   8 0.1834  0.75    0.3183   0.0    Si    = 1.00
   9 0.2345  0.9942  0.0416   0.0    O     = 1.00
  10 0.3017  0.9819  0.3535   0.0    O     = 1.00
  11 0.7937  0.0128  0.3419   0.0    O     = 1.00
  12 0.053   0.25    0.1298   0.0    O     = 1.00
  13 0.0418  0.75    0.1449   0.0    O     = 1.00
  14 0.0659  0.75    0.4059   0.0    O     = 1.00
  15 0.5138  0.75    0.1807   0.0    O     = 1.00
  16 0.523   0.25    0.3067   0.0    O     = 1.00
  17 0.6295  0.25    0.0996   0.0    O     = 1.00
  18 0.0796  0.25    0.4263   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7574     0.75       0.1517
     2       2     0.6047     0.75       0.4241
     3       3     0.0        0.0        0.0   
     4       4     0.0        0.0        0.5   
     5       5     0.2936     0.25       0.2247
     6       6     0.3383     0.75       0.0467
     7       7     0.6832     0.25       0.2742
     8       8     0.1834     0.75       0.3183
     9       9     0.2345     0.9942     0.0416
    10      10     0.3017     0.9819     0.3535
    11      11     0.7937     0.0128     0.3419
    12      12     0.053      0.25       0.1298
    13      13     0.0418     0.75       0.1449
    14      14     0.0659     0.75       0.4059
    15      15     0.5138     0.75       0.1807
    16      16     0.523      0.25       0.3067
    17      17     0.6295     0.25       0.0996
    18      18     0.0796     0.25       0.4263
    19       1     0.2426     0.25       0.8483
    20       2     0.3953     0.25       0.5759
    21       3     0.0        0.5        0.0   
    22       4     0.0        0.5        0.5   
    23       5     0.7064     0.75       0.7753
    24       6     0.6617     0.25       0.9533
    25       7     0.3168     0.75       0.7258
    26       8     0.8166     0.25       0.6817
    27       9     0.7655     0.4942     0.9584
    28      10     0.6983     0.4819     0.6465
    29      11     0.2063     0.5128     0.6581
    30      12     0.947      0.75       0.8702
    31      13     0.9582     0.25       0.8551
    32      14     0.9341     0.25       0.5941
    33      15     0.4862     0.25       0.8193
    34      16     0.477      0.75       0.6933
    35      17     0.3705     0.75       0.9004
    36      18     0.9204     0.75       0.5737
    37       9     0.2345     0.5058     0.0416
    38      10     0.3017     0.5181     0.3535
    39      11     0.7937     0.4872     0.3419
    40       9     0.7655     0.0058     0.9584
    41      10     0.6983     0.0181     0.6465
    42      11     0.2063     0.9872     0.6581


X-ray density (g/cm cub.)   =      3.42

MU (1/cm) =     254.784    Mass attenuation coefficient (cm**2/g) =     74.47 

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

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

    1    Ca                  2.88         7
                                                 2.3431      11
                                                 2.559       13
                                                 2.8481      14
                                                 2.3078      15
                                                 2.461        9
                                                 2.3431      11
                                                 2.461        9
    2    Ca                  2.88         8
                                                 2.7952      10
                                                 2.6291      11
                                                 2.2486      15
                                                 2.5416      10
                                                 2.5544      18
                                                 2.7952      10
                                                 2.6291      11
                                                 2.5416      10
    3   Al   ,Fe             2.592        6
                                                 1.9415       9
                                                 1.8454      12
                                                 1.9529      13
                                                 1.8454      12
                                                 1.9529      13
                                                 1.9415       9
    4    Al                  2.316        6
                                                 1.8493      11
                                                 1.9278      14
                                                 1.8693      18
                                                 1.9278      14
                                                 1.8693      18
                                                 1.8493      11
    5   Al   ,Fe             2.592        6
                                                 2.2292       9
                                                 1.9777      10
                                                 1.9324      12
                                                 1.8424      16
                                                 2.2292       9
                                                 1.9777      10
    6    Si                  2.1          4
                                                 1.643        9
                                                 1.5698      15
                                                 1.6306      17
                                                 1.643        9
    7    Si                  2.1          4
                                                 1.6241      11
                                                 1.5944      16
                                                 1.6277      17
                                                 1.6241      11
    8    Si                  2.1          4
                                                 1.6162      10
                                                 1.6689      13
                                                 1.638       14
                                                 1.6162      10
    9    O                   3.264       10
                                                 2.9639      10
                                                 2.5923      12
                                                 2.733       13
                                                 2.6525      15
                                                 3.158       16
                                                 2.7623      12
                                                 2.7745      13
                                                 2.6265      17
                                                 2.8772       9
                                                 2.7468       9
   10    O                   3.264        8
                                                 2.9639       9
                                                 2.8309      12
                                                 2.707       13
                                                 2.7091      14
                                                 2.6786      16
                                                 2.8241      18
                                                 3.0156      10
                                                 2.6084      10
   11    O                   3.264        9
                                                 2.6669      14
                                                 2.7495      15
                                                 2.6383      16
                                                 2.6245      17
                                                 2.6653      18
                                                 2.6759      14
                                                 2.5932      18
                                                 2.668       11
                                                 2.956       11
   12    O                   3.264       10
                                                 2.5923       9
                                                 2.8309      10
                                                 2.8203      13
                                                 2.8203      13
                                                 2.9199      18
                                                 2.7623       9
                                                 2.5465      13
                                                 2.5923       9
                                                 2.8309      10
                                                 2.7623       9
   13    O                   3.264       10
                                                 2.733        9
                                                 2.707       10
                                                 2.8203      12
                                                 2.8203      12
                                                 2.5681      14
                                                 2.7745       9
                                                 2.5465      12
                                                 2.733        9
                                                 2.707       10
                                                 2.7745       9
   14    O                   3.264       10
                                                 2.7091      10
                                                 2.6669      11
                                                 2.5681      13
                                                 2.8184      18
                                                 2.8184      18
                                                 2.6759      11
                                                 2.5451      18
                                                 2.7091      10
                                                 2.6669      11
                                                 2.6759      11
   15    O                   3.264        9
                                                 2.6525       9
                                                 2.7495      11
                                                 3.0764      16
                                                 3.0764      16
                                                 3.2208      17
                                                 3.2208      17
                                                 2.5733      17
                                                 2.6525       9
                                                 2.7495      11
   16    O                   3.264        9
                                                 3.158        9
                                                 2.6786      10
                                                 2.6383      11
                                                 3.0764      15
                                                 3.0764      15
                                                 2.6532      17
                                                 3.158        9
                                                 2.6786      10
                                                 2.6383      11
   17    O                   3.264        8
                                                 2.6245      11
                                                 3.2208      15
                                                 3.2208      15
                                                 2.6532      16
                                                 2.6265       9
                                                 2.5733      15
                                                 2.6245      11
                                                 2.6265       9
   18    O                   3.264       10
                                                 2.8241      10
                                                 2.6653      11
                                                 2.9199      12
                                                 2.8184      14
                                                 2.8184      14
                                                 2.5932      11
                                                 2.5451      14
                                                 2.8241      10
                                                 2.6653      11
                                                 2.5932      11

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

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

    1   0   0   1  4.814   9.628   0.054  281.02    2        8.0       17.1
    2   1   0   0  5.505  11.01    0.062  214.34    2       15.9       51.5
    3   1   0  -1  5.543  11.086   0.063  211.37    2       11.1       24.6
    4   1   0   1  8.754  17.507   0.099   83.42    2        8.2        5.3
    5   1   0  -2  8.826  17.652   0.1     82.02    2       57.4      256.8
    6   0   1   1  9.243  18.487   0.104   74.59    4        8.9       11.2
    7   1   1   0  9.626  19.252   0.109   68.6     4        9.9       12.7
    8   1   1  -1  9.648  19.297   0.109   68.28    4       14.8       28.2
    9   0   0   2  9.662  19.324   0.109   68.08    2        2.3        0.3
   10   2   0  -1  9.978  19.957   0.112   63.69    2        4.1        1.0
   11   2   0   0 11.062  22.124   0.125   51.43    2       58.3      166.2
   12   2   0  -2 11.139  22.278   0.125   50.69    2       58.5      164.8
   13   1   1   1 11.814  23.629   0.133   44.83    4       25.4       54.8
   14   1   1  -2 11.869  23.738   0.134   44.4     4       13.6       15.7
   15   0   1   2 12.511  25.022   0.141   39.75    4        0.4        0.0
   16   2   1  -1 12.76   25.52    0.143   38.13    4       64.8      304.5
   17   1   0   2 13.078  26.156   0.147   36.2     2       55.9      107.5
   18   1   0  -3 13.161  26.321   0.148   35.73    2        9.4        3.0
   19   2   1   0 13.635  27.27    0.153   33.15    4        7.8        3.8
   20   2   1  -2 13.699  27.397   0.154   32.82    4        5.6        2.0
   21   2   0   1 13.897  27.794   0.156   31.83    2       60.1      109.1
   22   2   0  -3 14.022  28.043   0.157   31.23    2       15.9        7.5
   23   0   0   3 14.581  29.163   0.163   28.73    2       36.1       35.5
   24   3   0  -1 15.243  30.487   0.171   26.13    2       22.9       13.0
   25   3   0  -2 15.286  30.573   0.171   25.97    2       80.4      159.5
   26   1   1   2 15.337  30.675   0.172   25.79    4       10.6        5.5
   27   1   1  -3 15.409  30.817   0.172   25.53    4      138.9      935.4
   28   0   2   0 15.898  31.796   0.178   23.87    2      127.5      368.3
   29   2   1   1 16.051  32.101   0.179   23.38    4       47.5      100.2
   30   2   1  -3 16.16   32.32    0.181   23.04    4       27.8       33.9
   31   0   2   1 16.648  33.296   0.186   21.6     4       11.3        5.2
   32   0   1   3 16.655  33.309   0.186   21.58    4       83.9      288.3
   33   3   0   0 16.726  33.453   0.187   21.38    2       92.2      172.6
   34   3   0  -3 16.845  33.69    0.188   21.06    2       13.3        3.5
   35   1   2   0 16.872  33.745   0.188   20.98    4       70.4      197.5
   36   1   2  -1 16.885  33.771   0.189   20.95    4        9.3        3.5
   37   3   1  -1 17.245  34.49    0.192   20.01    4      103.4      406.3
   38   3   1  -2 17.283  34.567   0.193   19.91    4       19.7       14.7
   39   2   0   2 17.72   35.441   0.198   18.85    2       95.7      163.9
   40   1   0   3 17.788  35.576   0.198   18.7     2        8.4        1.3
   41   2   0  -4 17.871  35.742   0.199   18.51    2       12.5        2.8
   42   1   0  -4 17.876  35.751   0.199   18.5     2       46.2       37.5
   43   1   2   1 18.262  36.524   0.203   17.65    4        5.5        1.0
   44   1   2  -2 18.299  36.597   0.204   17.57    4       55.7      103.6
   45   3   1   0 18.586  37.172   0.207   16.98    4       15.6        7.9
   46   3   1  -3 18.694  37.389   0.208   16.76    4       93.9      280.9
   47   0   2   2 18.739  37.478   0.209   16.68    4       83.9      222.8
   48   2   2  -1 18.913  37.826   0.21    16.34    4       37.1       42.6
   49   3   0   1 19.426  38.852   0.216   15.4     2       16.8        4.1
   50   2   1   2 19.498  38.995   0.217   15.27    4       22.8       15.0
   51   2   2   0 19.538  39.077   0.217   15.2     4       11.4        3.7
   52   1   1   3 19.56   39.12    0.217   15.17    4       40.3       46.8
   53   2   2  -2 19.585  39.169   0.218   15.12    4       63.9      117.4
   54   3   0  -4 19.6    39.2     0.218   15.1     2       27.5       10.8
   55   0   0   4 19.614  39.227   0.218   15.08    2       11.5        1.9
   56   2   1  -4 19.636  39.273   0.218   15.04    4       33.2       31.5
   57   1   1  -4 19.641  39.282   0.218   15.03    4       27.5       21.6
   58   4   0  -2 20.277  40.554   0.225   14.0     2       24.8        8.2
   59   1   2   2 20.812  41.624   0.231   13.21    4       10.8        2.9
   60   4   0  -1 20.846  41.692   0.231   13.16    2      108.8      147.8
   61   1   2  -3 20.867  41.733   0.231   13.13    4       51.0       64.8
   62   4   0  -3 20.934  41.867   0.232   13.04    2       40.9       20.7
   63   3   1   1 21.081  42.162   0.233   12.84    4        3.1        0.2
   64   3   1  -4 21.244  42.487   0.235   12.62    4       10.6        2.7
   65   0   1   4 21.256  42.513   0.235   12.6     4       27.7       18.3
   66   2   2   1 21.365  42.73    0.236   12.46    4       88.2      183.8
   67   2   2  -3 21.451  42.902   0.237   12.34    4       85.1      169.9
   68   0   2   3 21.842  43.683   0.241   11.85    4       78.6      139.1
   69   4   1  -2 21.879  43.757   0.242   11.81    4       22.2       11.1
   70   2   0   3 22.111  44.223   0.244   11.53    2       79.4       69.0
   71   2   0  -5 22.278  44.557   0.246   11.34    2       24.8        6.6
   72   3   2  -1 22.314  44.629   0.246   11.3     4       35.6       27.2
   73   3   2  -2 22.345  44.691   0.247   11.26    4       27.1       15.6
   74   4   1  -1 22.415  44.829   0.248   11.18    4        2.9        0.2
   75   4   1  -3 22.497  44.994   0.248   11.09    4        0.8        0.0
   76   4   0   0 22.565  45.13    0.249   11.01    2       78.9       65.2
   77   4   0  -4 22.729  45.459   0.251   10.84    2       18.9        3.7
   78   1   0   4 22.75   45.499   0.251   10.81    2       28.7        8.5
   79   1   0  -5 22.841  45.683   0.252   10.72    2       39.2       15.7
   80   3   0   2 22.986  45.971   0.253   10.56    2       19.9        4.0
   81   3   0  -5 23.198  46.396   0.256   10.35    2       44.8       19.7
   82   3   2   0 23.411  46.822   0.258   10.13    4       17.8        6.1
   83   3   2  -3 23.501  47.002   0.259   10.05    4       21.6        8.9
   84   2   1   3 23.613  47.226   0.26     9.94    4       43.1       35.1
   85   2   1  -5 23.771  47.543   0.262    9.79    4        4.0        0.3
   86   4   1   0 24.044  48.089   0.264    9.54    4        7.1        0.9
   87   2   2   2 24.172  48.345   0.266    9.42    4       72.1       93.0
   88   4   1  -4 24.201  48.402   0.266    9.4     4        3.3        0.2
   89   1   1   4 24.22   48.44    0.266    9.38    4       50.4       45.2
   90   1   2   3 24.225  48.45    0.266    9.38    4       24.1       10.3
   91   2   2  -4 24.289  48.579   0.267    9.32    4       87.2      134.5
   92   1   2  -4 24.293  48.586   0.267    9.32    4       55.9       55.2
   93   1   1  -5 24.308  48.615   0.267    9.31    4       41.3       30.2
   94   3   1   2 24.445  48.89    0.269    9.19    4       44.6       34.7
   95   3   1  -5 24.648  49.295   0.271    9.02    4        9.3        1.5
   96   0   3   1 24.795  49.59    0.272    8.9     4        4.3        0.3
   97   0   0   5 24.809  49.618   0.272    8.88    2       15.0        1.9
   98   1   3   0 24.957  49.914   0.274    8.76    4       25.5       10.8
   99   1   3  -1 24.967  49.933   0.274    8.76    4        8.9        1.3
  100   4   0   1 25.25   50.499   0.277    8.53    2       17.9        2.6
  101   4   0  -5 25.476  50.951   0.279    8.36    2       14.7        1.7
  102   3   2   1 25.523  51.046   0.28     8.33    4       22.3        7.9
  103   3   2  -4 25.663  51.327   0.281    8.22    4        4.3        0.3
  104   0   2   4 25.674  51.349   0.281    8.22    4       37.8       22.2
  105   5   0  -2 25.776  51.552   0.282    8.14    2       76.3       45.0
  106   5   0  -3 25.823  51.646   0.283    8.11    2       30.1        7.0
  107   1   3   1 25.987  51.974   0.284    7.99    4       26.0       10.2
  108   1   3  -2 26.015  52.03    0.285    7.97    4       15.3        3.5
  109   0   1   5 26.192  52.384   0.287    7.85    4       40.2       24.1
  110   4   2  -2 26.215  52.43    0.287    7.84    4       38.5       22.0
  111   0   3   2 26.35   52.699   0.288    7.75    4        0.3        0.0
  112   2   3  -1 26.483  52.966   0.289    7.66    4       51.8       39.1
  113   4   1   1 26.616  53.232   0.291    7.57    4       11.8        2.0
  114   4   2  -1 26.684  53.369   0.292    7.53    4       24.4        8.5
  115   5   0  -1 26.747  53.494   0.292    7.49    2       10.5        0.8
  116   4   2  -3 26.757  53.514   0.292    7.48    4       22.6        7.2
  117   4   1  -5 26.834  53.668   0.293    7.43    4       67.2       63.8
  118   5   0  -4 26.883  53.766   0.294    7.4     2       21.0        3.1
  119   2   0   4 26.908  53.816   0.294    7.38    2       41.6       12.1
  120   2   3   0 26.967  53.934   0.294    7.35    4        9.1        1.1
  121   2   3  -2 27.003  54.006   0.295    7.32    4        2.3        0.1
  122   2   0  -6 27.088  54.177   0.296    7.27    2       65.1       29.2
  123   5   1  -2 27.124  54.248   0.296    7.25    4       45.8       28.9
  124   3   0   3 27.165  54.33    0.296    7.23    2       19.8        2.7
  125   5   1  -3 27.169  54.338   0.296    7.22    4       36.0       17.8
  126   3   0  -6 27.407  54.814   0.299    7.08    2       77.2       40.0
  127   2   2   3 27.745  55.489   0.302    6.89    4        0.9        0.0
  128   2   2  -5 27.886  55.772   0.304    6.81    4       19.5        4.9
  129   1   0   5 27.961  55.922   0.304    6.77    2       48.2       14.9
  130   1   3   2 27.974  55.949   0.304    6.76    4        7.1        0.6
  131   1   3  -3 28.018  56.037   0.305    6.74    4       95.2      115.8
  132   1   0  -6 28.058  56.115   0.305    6.71    2      131.1      109.5
  133   5   1  -1 28.062  56.125   0.305    6.71    4      100.3      128.3
  134   4   2   0 28.13   56.26    0.306    6.67    4       51.2       33.2
  135   5   1  -4 28.194  56.388   0.307    6.64    4       24.3        7.5
  136   2   1   4 28.218  56.436   0.307    6.63    4       41.0       21.1
  137   4   2  -4 28.27   56.54    0.307    6.6     4      107.1      143.7
  138   1   2   4 28.287  56.575   0.308    6.59    4       74.9       70.3
  139   1   2  -5 28.366  56.732   0.308    6.55    4        2.3        0.1
  140   2   1  -6 28.393  56.786   0.309    6.54    4       33.4       13.8
  141   2   3   1 28.42   56.841   0.309    6.52    4       37.1       17.0
  142   3   1   3 28.467  56.935   0.309    6.5     4       21.4        5.7
  143   3   2   2 28.489  56.979   0.31     6.49    4       61.5       46.6
  144   2   3  -3 28.49   56.98    0.31     6.49    4       20.3        5.1
  145   5   0   0 28.664  57.328   0.311    6.4     2       21.5        2.8
  146   3   2  -5 28.672  57.343   0.311    6.39    4       14.2        2.4
  147   3   1  -6 28.702  57.404   0.312    6.38    4        8.9        1.0
  148   4   0   2 28.709  57.417   0.312    6.37    2        5.3        0.2
  149   0   3   3 28.808  57.617   0.313    6.32    4       64.7       50.3
  150   5   0  -5 28.88   57.76    0.314    6.29    2       17.0        1.7
  151   4   0  -6 28.985  57.97    0.315    6.24    2      142.8      120.7
  152   3   3  -1 29.197  58.393   0.317    6.14    4       88.2       90.5
  153   3   3  -2 29.222  58.445   0.317    6.12    4       29.0        9.8
  154   1   1   5 29.24   58.479   0.317    6.12    4       73.8       63.3
  155   1   1  -6 29.334  58.667   0.318    6.07    4       22.4        5.8
  156   5   1   0 29.923  59.847   0.324    5.81    4       57.5       36.4
  157   4   1   2 29.967  59.934   0.324    5.79    4       77.5       66.0
  158   0   2   5 30.072  60.145   0.325    5.74    4        6.9        0.5
  159   3   3   0 30.11   60.219   0.326    5.73    4       21.1        4.9
  160   5   1  -5 30.134  60.267   0.326    5.72    4       16.5        2.9
  161   3   3  -3 30.185  60.37    0.326    5.69    4       67.8       49.7
  162   0   0   6 30.233  60.465   0.327    5.67    2       38.8        8.1
  163   4   1  -6 30.236  60.472   0.327    5.67    4        3.9        0.2
  164   4   2   1 30.46   60.921   0.329    5.58    4       12.0        1.5
  165   4   2  -5 30.66   61.321   0.331    5.5     4       47.7       23.8
  166   2   3   2 30.753  61.507   0.332    5.46    4       20.4        4.3
  167   1   3   3 30.798  61.596   0.332    5.45    4       21.1        4.6
  168   2   3  -4 30.853  61.706   0.333    5.42    4       19.7        4.0
  169   1   3  -4 30.856  61.712   0.333    5.42    4       12.5        1.6
  170   5   2  -2 30.927  61.854   0.334    5.4     4       24.2        6.0
  171   5   2  -3 30.968  61.936   0.334    5.38    4        6.3        0.4
  172   6   0  -3 31.321  62.642   0.337    5.25    2       44.0        9.6
  173   5   0   1 31.416  62.832   0.338    5.21    2        7.0        0.2
  174   0   1   6 31.453  62.907   0.339    5.2     4        5.3        0.3
  175   5   0  -6 31.702  63.404   0.341    5.11    2       46.9       10.7
  176   6   0  -2 31.725  63.45    0.341    5.1     2       17.4        1.5
  177   5   2  -1 31.794  63.588   0.342    5.08    4       29.7        8.5
  178   6   0  -4 31.823  63.645   0.342    5.07    2       95.0       43.4
  179   3   0   4 31.851  63.703   0.343    5.06    2       59.7       17.1
  180   3   3   1 31.913  63.826   0.343    5.04    4        8.2        0.6
  181   5   2  -4 31.916  63.832   0.343    5.03    4      112.0      120.0
  182   2   2   4 31.938  63.876   0.343    5.03    4       62.6       37.4
  183   3   3  -4 32.035  64.069   0.344    4.99    4        6.1        0.3
  184   0   3   4 32.044  64.088   0.344    4.99    4       20.0        3.8
  185   2   0   5 32.077  64.154   0.345    4.98    2        5.9        0.2
  186   2   2  -6 32.1    64.201   0.345    4.97    4       69.7       45.9
  187   3   0  -7 32.119  64.239   0.345    4.97    2        6.4        0.2
  188   3   2   3 32.17   64.339   0.346    4.95    4       36.6       12.6
  189   2   0  -7 32.271  64.542   0.347    4.92    2       21.1        2.1
  190   3   2  -6 32.388  64.776   0.348    4.88    4       95.9       85.1
  191   4   3  -2 32.515  65.03    0.349    4.84    4       12.9        1.5
  192   6   1  -3 32.519  65.038   0.349    4.83    4        9.8        0.9
  193   5   1   1 32.612  65.223   0.35     4.81    4       23.1        4.9
  194   4   0   3 32.81   65.621   0.352    4.74    2       56.3       14.3
  195   1   2   5 32.89   65.779   0.352    4.72    4       16.9        2.5
  196   5   1  -6 32.892  65.784   0.353    4.72    4       14.8        2.0
  197   6   1  -2 32.914  65.829   0.353    4.71    4       22.9        4.7
  198   4   3  -1 32.927  65.854   0.353    4.71    4        6.7        0.4
  199   1   2  -6 32.977  65.955   0.353    4.69    4       20.4        3.7
  200   4   3  -3 32.991  65.981   0.353    4.69    4        2.2        0.0
  201   6   1  -4 33.01   66.02    0.354    4.68    4       22.0        4.3
  202   6   0  -1 33.015  66.03    0.354    4.68    2       13.1        0.8
  203   3   1   4 33.038  66.077   0.354    4.67    4        0.9        0.0
  204   4   0  -7 33.13   66.26    0.355    4.65    2       14.6        0.9
  205   6   0  -5 33.206  66.413   0.355    4.62    2       35.6        5.6
  206   0   4   0 33.22   66.44    0.356    4.62    2      232.8      237.7
  207   2   1   5 33.26   66.519   0.356    4.61    4       72.4       45.9
  208   3   1  -7 33.301  66.603   0.356    4.59    4       35.9       11.3
  209   2   1  -7 33.45   66.9     0.358    4.55    4       42.9       15.9
  210   1   0   6 33.474  66.948   0.358    4.54    2       16.8        1.2
  211   5   2   0 33.53   67.06    0.359    4.53    4       53.6       24.7
  212   4   2   2 33.571  67.142   0.359    4.52    4      135.7      157.9
  213   1   0  -7 33.577  67.154   0.359    4.52    2       35.0        5.3
  214   0   4   1 33.659  67.317   0.36     4.49    4        5.8        0.3
  215   5   2  -5 33.728  67.456   0.36     4.47    4       10.2        0.9
  216   1   4   0 33.793  67.585   0.361    4.46    4        8.2        0.6
  217   1   4  -1 33.8    67.601   0.361    4.45    4        6.0        0.3
  218   4   2  -6 33.824  67.648   0.361    4.45    4       37.2       11.7
  219   2   3   3 33.865  67.73    0.362    4.44    4       33.2        9.3
  220   4   1   3 33.98   67.96    0.363    4.4     4        1.0        0.0
  221   2   3  -5 33.991  67.982   0.363    4.4     4        6.0        0.3
  222   6   1  -1 34.181  68.362   0.365    4.35    4       39.6       13.0
  223   4   3   0 34.209  68.418   0.365    4.34    4        5.3        0.2
  224   4   1  -7 34.294  68.588   0.366    4.32    4       29.5        7.1
  225   4   3  -4 34.334  68.669   0.366    4.31    4        7.1        0.4
  226   1   3   4 34.35   68.699   0.366    4.31    4       49.7       20.2
  227   6   1  -5 34.369  68.738   0.366    4.3     4        3.2        0.1
  228   1   3  -5 34.42   68.84    0.367    4.29    4       31.4        8.0
  229   3   3   2 34.531  69.062   0.368    4.26    4       25.2        5.1
  230   1   1   6 34.632  69.265   0.369    4.23    4        6.3        0.3
  231   1   4   1 34.652  69.305   0.369    4.23    4        3.0        0.1
  232   1   4  -2 34.676  69.352   0.369    4.22    4       32.7        8.6
  233   3   3  -5 34.695  69.389   0.369    4.22    4       15.9        2.0
  234   1   1  -7 34.734  69.467   0.37     4.21    4        0.6        0.0
  235   5   0   2 34.903  69.806   0.371    4.17    2       74.5       22.0
  236   0   4   2 34.959  69.917   0.372    4.15    4        2.8        0.1
  237   0   2   6 34.974  69.947   0.372    4.15    4       69.2       37.8
  238   2   4  -1 35.072  70.144   0.373    4.13    4        1.2        0.0
  239   6   0   0 35.142  70.284   0.374    4.11    2       28.5        3.2
  240   5   0  -7 35.252  70.504   0.375    4.09    2       14.7        0.8
  241   6   0  -6 35.42   70.841   0.376    4.05    2       13.7        0.7
  242   2   4   0 35.484  70.968   0.377    4.03    4       33.3        8.5
  243   2   4  -2 35.515  71.03    0.377    4.03    4       33.9        8.8
  244   0   3   5 35.964  71.927   0.381    3.93    4       33.0        8.1
  245   0   0   7 35.975  71.95    0.381    3.92    2       26.3        2.6
  246   6   2  -3 35.986  71.973   0.381    3.92    4       46.5       16.1
  247   5   1   2 36.04   72.081   0.382    3.91    4       21.7        3.5
  248   5   2   1 36.075  72.15    0.382    3.9     4       21.5        3.4
  249   6   1   0 36.276  72.552   0.384    3.86    4       12.0        1.1
  250   4   3   1 36.318  72.637   0.384    3.85    4       11.6        1.0
  251   5   2  -6 36.343  72.685   0.385    3.85    4       40.8       12.1
  252   1   4   2 36.352  72.704   0.385    3.85    4       33.2        8.1
  253   6   2  -2 36.364  72.728   0.385    3.84    4       74.3       40.3
  254   5   1  -7 36.385  72.769   0.385    3.84    4        1.8        0.0
  255   1   4  -3 36.39   72.78    0.385    3.84    4        7.7        0.4
  256   6   2  -4 36.455  72.911   0.386    3.83    4       69.4       35.0
  257   3   2   4 36.482  72.965   0.386    3.82    4       10.0        0.7
  258   4   3  -5 36.502  73.003   0.386    3.82    4       56.2       22.9
  259   6   1  -6 36.551  73.101   0.387    3.81    4       26.0        4.9
  260   2   2   5 36.694  73.388   0.388    3.78    4       29.6        6.3
  261   3   2  -7 36.734  73.468   0.388    3.77    4       11.9        1.0
  262   2   4   1 36.74   73.48    0.388    3.77    4       40.1       11.5
  263   5   3  -2 36.746  73.493   0.388    3.77    4       47.3       16.0
  264   5   3  -3 36.784  73.569   0.389    3.76    4       25.2        4.5
  265   2   4  -3 36.801  73.602   0.389    3.76    4        4.8        0.2
  266   2   2  -7 36.877  73.753   0.39     3.74    4       21.0        3.1
  267   3   0   5 37.026  74.051   0.391    3.72    2       69.6       17.1
  268   0   4   3 37.08   74.16    0.391    3.7     4       17.6        2.2
  269   0   1   7 37.098  74.197   0.392    3.7     4       55.3       21.5
  270   3   0  -8 37.321  74.642   0.394    3.66    2       92.8       29.9
  271   4   2   3 37.385  74.77    0.394    3.65    4       82.6       47.3
  272   7   0  -3 37.413  74.826   0.394    3.64    2       33.0        3.8
  273   3   4  -1 37.422  74.843   0.394    3.64    4       14.8        1.5
  274   3   4  -2 37.444  74.888   0.395    3.64    4       56.6       22.2
  275   7   0  -4 37.466  74.932   0.395    3.64    2       32.1        3.6
  276   4   0   4 37.499  74.998   0.395    3.63    2       60.3       12.5
  277   5   3  -1 37.547  75.094   0.396    3.62    4       94.6       61.5
  278   6   2  -1 37.578  75.156   0.396    3.62    4       48.4       16.1
  279   5   3  -4 37.66   75.32    0.397    3.6     4       13.8        1.3
  280   2   0   6 37.662  75.323   0.397    3.6     2       62.3       13.3
  281   2   3   4 37.681  75.361   0.397    3.6     4       35.3        8.5
  282   4   2  -7 37.687  75.373   0.397    3.6     4        2.3        0.0
  283   6   2  -5 37.759  75.518   0.397    3.58    4       89.9       55.0
  284   2   3  -6 37.831  75.663   0.398    3.57    4       29.7        6.0
  285   4   0  -8 37.861  75.721   0.398    3.57    2       28.4        2.7
  286   2   0  -8 37.872  75.745   0.398    3.57    2       60.9       12.6
  287   3   3   3 37.896  75.792   0.399    3.56    4       24.3        4.0
  288   1   2   6 38.013  76.025   0.4      3.54    4       39.8       10.7
  289   6   0   1 38.048  76.096   0.4      3.54    2       22.7        1.7
  290   3   3  -6 38.099  76.198   0.401    3.53    4       14.0        1.3
  291   1   2  -7 38.11   76.22    0.401    3.53    4       15.7        1.6
  292   3   1   5 38.138  76.275   0.401    3.52    4        9.4        0.6
  293   7   0  -2 38.194  76.387   0.401    3.51    2        8.1        0.2
  294   3   4   0 38.232  76.464   0.402    3.51    4       64.3       27.5
  295   3   4  -3 38.299  76.599   0.402    3.5     4        8.0        0.4
  296   7   0  -5 38.351  76.702   0.403    3.49    2       13.5        0.6
  297   6   0  -7 38.408  76.816   0.403    3.48    2       17.4        1.0
  298   3   1  -8 38.43   76.86    0.403    3.47    4        2.7        0.0
  299   7   1  -3 38.521  77.042   0.404    3.46    4        3.0        0.1
  300   1   3   5 38.567  77.134   0.405    3.45    4       66.5       29.0
  301   7   1  -4 38.574  77.147   0.405    3.45    4       22.9        3.4
  302   4   1   4 38.606  77.212   0.405    3.45    4       14.8        1.4
  303   1   3  -6 38.649  77.299   0.405    3.44    4       10.7        0.7
  304   2   1   6 38.767  77.535   0.406    3.42    4       24.0        3.7
  305   2   4   2 38.809  77.618   0.407    3.42    4       77.9       39.4
  306   1   4   3 38.849  77.698   0.407    3.41    4        0.8        0.0
  307   2   4  -4 38.898  77.797   0.408    3.4     4        2.9        0.1
  308   1   4  -4 38.901  77.803   0.408    3.4     4       36.7        8.7
  309   4   1  -8 38.965  77.929   0.408    3.39    4        8.1        0.4
  310   2   1  -8 38.976  77.953   0.408    3.39    4        3.7        0.1
  311   5   0   3 39.067  78.134   0.409    3.38    2        3.0        0.0
  312   6   1   1 39.15   78.3     0.41     3.37    4        1.2        0.0
  313   5   3   0 39.168  78.336   0.41     3.37    4       52.3       17.5
  314   4   3   2 39.206  78.413   0.41     3.36    4       64.5       26.5
  315   7   1  -2 39.295  78.589   0.411    3.35    4       10.6        0.7
  316   5   3  -5 39.354  78.708   0.412    3.34    4        3.8        0.1
  317   5   2   2 39.374  78.748   0.412    3.34    4       22.8        3.3
  318   1   0   7 39.388  78.776   0.412    3.33    2       14.5        0.7
  319   4   3  -6 39.445  78.889   0.412    3.33    4        4.2        0.1
  320   7   1  -5 39.451  78.902   0.412    3.33    4        4.1        0.1
  321   5   0  -8 39.476  78.953   0.413    3.32    2        2.3        0.0
  322   1   0  -8 39.5    78.999   0.413    3.32    2       16.2        0.8
  323   6   1  -7 39.507  79.015   0.413    3.32    4       77.9       38.2
  324   6   2   0 39.603  79.205   0.414    3.31    4       19.5        2.4
  325   5   2  -7 39.708  79.416   0.415    3.29    4       34.5        7.4
  326   7   0  -1 39.792  79.583   0.415    3.28    2       19.1        1.1
  327   3   4   1 39.859  79.719   0.416    3.27    4       14.3        1.3
  328   6   2  -6 39.87   79.739   0.416    3.27    4       42.2       11.1
  329   3   4  -4 39.97   79.941   0.417    3.26    4       33.6        7.0
  330   0   4   4 39.979  79.958   0.417    3.26    4        5.9        0.2
  331   7   0  -6 40.051  80.102   0.418    3.25    2        3.0        0.0
  332   5   1   3 40.161  80.322   0.419    3.23    4        8.6        0.5
  333   0   2   7 40.403  80.806   0.421    3.21    4       69.6       29.5
  334   4   4  -2 40.411  80.821   0.421    3.2     4        4.8        0.1
  335   1   1   7 40.48   80.96    0.421    3.2     4       17.4        1.8
  336   0   3   6 40.533  81.066   0.422    3.19    4        0.3        0.0
  337   5   1  -8 40.568  81.135   0.422    3.19    4        4.3        0.1
  338   1   1  -8 40.591  81.182   0.422    3.18    4        2.1        0.0
  339   4   4  -1 40.789  81.579   0.424    3.16    4       61.3       22.5
  340   4   4  -3 40.848  81.697   0.425    3.15    4       21.6        2.8
  341   7   1  -1 40.881  81.762   0.425    3.15    4       12.9        1.0
  342   7   1  -6 41.139  82.278   0.427    3.12    4       37.2        8.2
  343   3   2   5 41.418  82.836   0.429    3.09    4       35.2        7.3
  344   6   3  -3 41.5    82.999   0.43     3.09    4        7.9        0.4
  345   5   3   1 41.584  83.169   0.431    3.08    4       26.8        4.2
  346   2   4   3 41.659  83.319   0.431    3.07    4       42.9       10.7
  347   6   0   2 41.696  83.393   0.432    3.07    2       19.5        1.1
  348   3   2  -8 41.705  83.409   0.432    3.07    4       40.7        9.6
  349   2   4  -5 41.777  83.554   0.432    3.06    4       13.7        1.1
  350   7   2  -3 41.794  83.588   0.433    3.06    4       52.4       15.9
  351   5   3  -6 41.841  83.683   0.433    3.05    4        8.3        0.4
  352   7   2  -4 41.845  83.691   0.433    3.05    4        3.8        0.1
  353   6   3  -2 41.862  83.724   0.433    3.05    4       22.0        2.8
  354   4   2   4 41.877  83.754   0.433    3.05    4       21.5        2.7
  355   6   3  -4 41.95   83.9     0.434    3.04    4       23.1        3.1
  356   3   3   4 41.976  83.952   0.434    3.04    4        8.7        0.4
  357   4   4   0 41.98   83.961   0.434    3.04    4       50.1       14.5
  358   2   2   6 42.035  84.071   0.435    3.04    4       26.0        3.9
  359   4   4  -4 42.098  84.195   0.435    3.03    4       13.6        1.1
  360   1   4   4 42.112  84.224   0.435    3.03    4       18.9        2.0
  361   6   0  -8 42.136  84.273   0.435    3.03    2       72.9       15.3
  362   0   0   8 42.171  84.342   0.436    3.02    2        2.7        0.0
  363   1   4  -5 42.178  84.356   0.436    3.02    4       23.3        3.1
  364   2   3   5 42.179  84.359   0.436    3.02    4       63.8       23.3
  365   7   0   0 42.186  84.372   0.436    3.02    2        5.2        0.1
  366   3   3  -7 42.218  84.436   0.436    3.02    4       34.2        6.7
  367   4   2  -8 42.229  84.458   0.436    3.02    4       27.1        4.2
  368   2   2  -8 42.241  84.481   0.436    3.02    4       28.9        4.8
  369   3   4   2 42.282  84.564   0.437    3.01    4       12.6        0.9
  370   2   3  -7 42.355  84.71    0.437    3.01    4       36.5        7.6
  371   6   2   1 42.412  84.823   0.438    3.0     4       11.6        0.8
  372   3   4  -5 42.436  84.871   0.438    3.0     4       28.2        4.5
  373   7   0  -7 42.545  85.089   0.439    2.99    2       15.5        0.7
  374   7   2  -2 42.554  85.107   0.439    2.99    4       23.2        3.1
  375   7   2  -5 42.707  85.415   0.44     2.98    4        5.8        0.2
  376   3   0   6 42.753  85.506   0.441    2.97    2        8.8        0.2
  377   6   2  -7 42.763  85.526   0.441    2.97    4        8.3        0.4
  378   6   1   2 42.776  85.552   0.441    2.97    4       14.8        1.2
  379   4   0   5 42.798  85.597   0.441    2.97    2        7.7        0.2
  380   4   3   3 42.846  85.692   0.441    2.97    4        4.1        0.1
  381   6   3  -1 43.033  86.066   0.443    2.95    4       33.5        6.3
  382   3   0  -9 43.082  86.164   0.443    2.95    2       17.4        0.9
  383   4   3  -7 43.139  86.277   0.444    2.94    4       29.0        4.7
  384   4   0  -9 43.208  86.415   0.444    2.94    2        5.7        0.1
  385   6   3  -5 43.209  86.417   0.444    2.94    4        0.2        0.0
  386   6   1  -8 43.215  86.43    0.444    2.94    4       32.0        5.7
  387   0   1   8 43.249  86.499   0.445    2.94    4       52.5       15.3
  388   7   1   0 43.264  86.528   0.445    2.93    4       71.5       28.5
  389   5   2   3 43.408  86.815   0.446    2.92    4        6.3        0.2
  390   1   3   6 43.455  86.91    0.446    2.92    4       11.0        0.7
  391   1   3  -7 43.55   87.1     0.447    2.91    4        6.2        0.2
  392   7   1  -7 43.622  87.244   0.448    2.91    4       65.8       24.0
  393   0   5   1 43.625  87.25    0.448    2.91    4        7.0        0.3
  394   0   4   5 43.636  87.272   0.448    2.91    4        9.0        0.4
  395   1   2   7 43.723  87.446   0.449    2.9     4        6.7        0.2
  396   1   5   0 43.749  87.498   0.449    2.9     4        4.1        0.1
  397   1   5  -1 43.756  87.513   0.449    2.9     4        8.9        0.4
  398   2   0   7 43.779  87.558   0.449    2.9     2       46.8        6.0
  399   5   2  -8 43.809  87.619   0.449    2.9     4       61.1       20.5
  400   3   1   6 43.83   87.66    0.45     2.9     4       38.1        8.0
  401   1   2  -8 43.832  87.665   0.45     2.9     4       55.5       16.9
  402   4   1   5 43.875  87.75    0.45     2.89    4       37.2        7.6
  403   8   0  -4 43.877  87.754   0.45     2.89    2       14.1        0.5
  404   5   0   4 43.915  87.829   0.45     2.89    2        3.6        0.0
  405   4   4   1 43.974  87.948   0.451    2.89    4        4.7        0.1
  406   2   0  -9 44.013  88.025   0.451    2.88    2       45.4        5.6
  407   7   2  -1 44.119  88.239   0.452    2.88    4       27.7        4.2
  408   4   4  -5 44.149  88.298   0.452    2.88    4        3.3        0.1
  409   3   1  -9 44.158  88.316   0.452    2.87    4       17.8        1.7
  410   8   0  -3 44.222  88.445   0.453    2.87    2       87.4       20.8
  411   4   1  -9 44.284  88.567   0.453    2.87    4       80.7       35.5
  412   8   0  -5 44.339  88.678   0.454    2.86    2       37.4        3.8
  413   7   2  -6 44.375  88.75    0.454    2.86    4       33.0        5.9
  414   5   4  -2 44.384  88.767   0.454    2.86    4       51.6       14.5
  415   5   0  -9 44.389  88.778   0.454    2.86    2       12.3        0.4
  416   5   4  -3 44.42   88.84    0.454    2.86    4       15.2        1.3
  417   1   5   1 44.549  89.098   0.455    2.85    4        8.4        0.4
  418   1   5  -2 44.571  89.142   0.456    2.85    4        2.4        0.0
  419   5   3   2 44.784  89.568   0.457    2.84    4       27.8        4.2
  420   0   5   2 44.836  89.672   0.458    2.84    4        1.3        0.0
  421   2   1   7 44.854  89.708   0.458    2.84    4       29.3        4.6
  422   2   5  -1 44.943  89.885   0.459    2.83    4       34.0        6.2
  423   8   1  -4 44.952  89.904   0.459    2.83    4       20.4        2.2
  424   5   1   4 44.99   89.979   0.459    2.83    4       10.8        0.6


  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   0   1   4.814   9.628  9.17891       17.1      1.8      1.9     5.6
    2   1   0   0   5.505  11.01   8.02929       51.5      5.5      5.6     5.6
    3   1   0  -1   5.543  11.086  7.97433       24.6      2.6      2.7     5.6
    4   1   0  -2   8.826  17.652  5.02022      256.8     27.5     27.7     5.6
    5   0   1   1   9.243  18.487  4.79544       11.2      1.2      1.2     5.6
    6   1   1  -1   9.648  19.297  4.59597       41.0      4.4      4.4     5.6
    7   2   0   0  11.062  22.124  4.01464      166.2     17.8     17.9     5.6
    8   2   0  -2  11.139  22.278  3.98717      164.8     17.6     17.7     5.6
    9   1   1   1  11.814  23.629  3.76219       54.8      5.9      5.9     5.6
   10   1   1  -2  11.869  23.738  3.74517       15.7      1.7      1.7     5.6
   11   2   1  -1  12.76   25.52   3.48745      304.5     32.6     32.7     5.6
   12   1   0   2  13.078  26.156  3.4041       107.5     11.5     11.5     5.6
   13   2   0   1  13.897  27.794  3.20712      109.1     11.7     11.7     5.6
   14   0   0   3  14.581  29.163  3.05964       35.5      3.8      3.8     5.6
   15   3   0  -1  15.243  30.487  2.92971       13.0      1.4      1.4     5.6
   16   3   0  -2  15.286  30.573  2.92165      159.5     17.0     17.1     5.6
   17   1   1  -3  15.409  30.817  2.89903      935.4    100.0    100.0     5.6
   18   0   2   0  15.898  31.796  2.812        368.3     39.4     39.3     5.6
   19   2   1   1  16.051  32.101  2.78597      100.2     10.7     10.7     5.6
   20   2   1  -3  16.16   32.32   2.76759       33.9      3.6      3.6     5.6
   21   0   1   3  16.655  33.309  2.68765      293.5     31.4     31.3     5.6
   22   3   0   0  16.726  33.453  2.67643      172.6     18.4     18.4     5.7
   23   1   2   0  16.872  33.745  2.65395      204.5     21.9     21.8     5.7
   24   3   1  -1  17.245  34.49   2.5983       406.3     43.4     43.3     5.7
   25   3   1  -2  17.283  34.567  2.59267       14.7      1.6      1.6     5.7
   26   2   0   2  17.72   35.441  2.53072      163.9     17.5     17.5     5.7
   27   1   0  -4  17.876  35.751  2.50944       40.3      4.3      4.3     5.7
   28   1   2  -2  18.299  36.597  2.45335      103.6     11.1     11.0     5.7
   29   3   1  -3  18.694  37.389  2.40321      280.9     30.0     29.9     5.7
   30   0   2   2  18.739  37.478  2.39772      222.8     23.8     23.7     5.7
   31   2   2  -1  18.913  37.826  2.37645       42.6      4.6      4.5     5.7
   32   2   1   2  19.498  38.995  2.30783       15.0      1.6      1.6     5.7
   33   2   2  -2  19.585  39.169  2.29798      178.8     19.1     19.0     5.7
   34   1   1  -4  19.641  39.282  2.29166       54.9      5.9      5.8     5.7
   35   4   0  -1  20.846  41.692  2.16457      212.6     22.7     22.5     5.7
   36   4   0  -3  20.934  41.867  2.15592       20.7      2.2      2.2     5.7
   37   0   1   4  21.256  42.513  2.12467       21.0      2.2      2.2     5.7
   38   2   2   1  21.365  42.73   2.11436      183.8     19.6     19.4     5.7
   39   2   2  -3  21.451  42.902  2.10629      169.9     18.2     18.0     5.7
   40   0   2   3  21.842  43.683  2.0704       139.1     14.9     14.7     5.7
   41   4   1  -2  21.879  43.757  2.06709       11.1      1.2      1.2     5.7
   42   2   0   3  22.111  44.223  2.04639       69.0      7.4      7.3     5.7
   43   3   2  -1  22.314  44.629  2.02872       27.2      2.9      2.9     5.7
   44   3   2  -2  22.345  44.691  2.02604       15.6      1.7      1.7     5.7
   45   4   0   0  22.565  45.13   2.00732       65.2      7.0      6.9     5.7
   46   1   0   4  22.75   45.499  1.99191       12.1      1.3      1.3     5.7
   47   1   0  -5  22.841  45.683  1.98432       15.7      1.7      1.6     5.7
   48   3   0  -5  23.198  46.396  1.95549       19.7      2.1      2.1     5.7
   49   2   1   3  23.613  47.226  1.92304       35.1      3.8      3.7     5.7
   50   2   2   2  24.172  48.345  1.8811        93.2     10.0      9.8     5.7
   51   1   1   4  24.22   48.44   1.87762       55.5      5.9      5.8     5.7
   52   2   2  -4  24.289  48.579  1.87258      219.9     23.5     23.1     5.7
   53   3   1   2  24.445  48.89   1.86138       34.7      3.7      3.6     5.7
   54   1   3   0  24.957  49.914  1.82557       12.1      1.3      1.3     5.7
   55   0   2   4  25.674  51.349  1.77788       22.2      2.4      2.3     5.8
   56   5   0  -2  25.776  51.552  1.77134       45.0      4.8      4.7     5.8
   57   1   3   1  25.987  51.974  1.75796       13.8      1.5      1.4     5.8
   58   0   1   5  26.192  52.384  1.74516       46.1      4.9      4.8     5.8
   59   2   3  -1  26.483  52.966  1.72735       39.1      4.2      4.1     5.8
   60   4   1  -5  26.834  53.668  1.7064        63.8      6.8      6.7     5.8
   61   2   0   4  26.908  53.816  1.70205       15.2      1.6      1.6     5.8
   62   2   0  -6  27.088  54.177  1.69157       29.2      3.1      3.0     5.8
   63   5   1  -2  27.124  54.248  1.68952       28.9      3.1      3.0     5.8
   64   5   1  -3  27.169  54.338  1.68694       20.5      2.2      2.1     5.8
   65   3   0  -6  27.407  54.814  1.67341       40.0      4.3      4.2     5.8
   66   1   0   5  27.961  55.922  1.64285       15.6      1.7      1.6     5.8
   67   1   3  -3  28.018  56.037  1.63975      115.8     12.4     12.1     5.8
   68   5   1  -1  28.062  56.125  1.63738      237.8     25.4     24.7     5.8
   69   4   2   0  28.13   56.26   1.63377       33.2      3.6      3.5     5.8
   70   2   1   4  28.218  56.436  1.62908       28.6      3.1      3.0     5.8
   71   4   2  -4  28.27   56.54   1.62633      213.9     22.9     22.2     5.8
   72   2   3   1  28.42   56.841  1.61845       30.8      3.3      3.2     5.8
   73   3   2   2  28.489  56.979  1.61486       57.4      6.1      6.0     5.8
   74   0   3   3  28.808  57.617  1.59848       50.3      5.4      5.2     5.8
   75   4   0  -6  28.985  57.97   1.58959      120.7     12.9     12.5     5.8
   76   3   3  -1  29.197  58.393  1.57906      100.3     10.7     10.4     5.8
   77   1   1   5  29.24   58.479  1.57695       63.3      6.8      6.6     5.8
   78   5   1   0  29.923  59.847  1.54414       36.4      3.9      3.8     5.8
   79   4   1   2  29.967  59.934  1.5421        66.0      7.1      6.8     5.8
   80   3   3  -3  30.185  60.37   1.53199       49.7      5.3      5.1     5.8
   81   4   2  -5  30.66   61.321  1.51051       23.8      2.5      2.5     5.8
   82   6   0  -3  31.321  62.642  1.48178        9.6      1.0      1.0     5.8
   83   5   0  -6  31.702  63.404  1.46579       12.1      1.3      1.2     5.9
   84   6   0  -4  31.823  63.645  1.46083       69.0      7.4      7.1     5.9
   85   5   2  -4  31.916  63.832  1.45701      157.4     16.8     16.2     5.9
   86   2   2  -6  32.1    64.201  1.44952       46.1      4.9      4.7     5.9
   87   3   2   3  32.17   64.339  1.44673       12.6      1.3      1.3     5.9
   88   3   2  -6  32.388  64.776  1.43804       85.1      9.1      8.7     5.9
   89   4   0   3  32.81   65.621  1.42154       14.3      1.5      1.5     5.9
   90   0   4   0  33.22   66.44   1.406        243.3     26.0     24.9     5.9
   91   2   1   5  33.26   66.519  1.40451       45.9      4.9      4.7     5.9
   92   3   1  -7  33.301  66.603  1.40295       11.3      1.2      1.2     5.9
   93   2   1  -7  33.45   66.9    1.39743       17.1      1.8      1.7     5.9
   94   5   2   0  33.53   67.06   1.39449       24.7      2.6      2.5     5.9
   95   4   2   2  33.571  67.142  1.39298      163.2     17.4     16.7     5.9
   96   4   2  -6  33.824  67.648  1.3838        11.7      1.3      1.2     5.9
   97   6   1  -1  34.181  68.362  1.37107       13.2      1.4      1.3     5.9
   98   1   3   4  34.35   68.699  1.36516       20.3      2.2      2.1     5.9
   99   1   4  -2  34.676  69.352  1.3539        10.6      1.1      1.1     5.9
  100   5   0   2  34.903  69.806  1.3462        22.0      2.3      2.2     5.9
  101   0   2   6  34.974  69.947  1.34382       37.8      4.0      3.8     5.9
  102   6   2  -3  35.986  71.973  1.31091       26.8      2.9      2.7     5.9
  103   6   2  -2  36.364  72.728  1.29915       60.5      6.5      6.1     6.0
  104   6   2  -4  36.455  72.911  1.29634       35.7      3.8      3.6     6.0
  105   4   3  -5  36.502  73.003  1.29493       22.9      2.4      2.3     6.0
  106   5   3  -2  36.746  73.493  1.2875        28.5      3.0      2.9     6.0
  107   3   0   5  37.026  74.051  1.27917       17.1      1.8      1.7     6.0
  108   0   1   7  37.098  74.197  1.27702       23.7      2.5      2.4     6.0
  109   3   0  -8  37.321  74.642  1.2705        29.9      3.2      3.0     6.0
  110   4   2   3  37.385  74.77   1.26865       51.0      5.5      5.1     6.0
  111   3   4  -2  37.444  74.888  1.26693       27.2      2.9      2.7     6.0
  112   4   0   4  37.499  74.998  1.26536       12.5      1.3      1.3     6.0
  113   5   3  -1  37.547  75.094  1.26398       61.5      6.6      6.2     6.0
  114   6   2  -1  37.578  75.156  1.26308       16.1      1.7      1.6     6.0
  115   2   3   4  37.681  75.361  1.26015       23.1      2.5      2.3     6.0
  116   6   2  -5  37.759  75.518  1.25793       55.0      5.9      5.5     6.0
  117   2   0  -8  37.872  75.745  1.25472       16.5      1.8      1.7     6.0
  118   1   2   6  38.013  76.025  1.25079       10.7      1.1      1.1     6.0
  119   3   4   0  38.232  76.464  1.2447        27.5      2.9      2.8     6.0
  120   1   3   5  38.567  77.134  1.23555       32.4      3.5      3.3     6.0
  121   2   4   2  38.809  77.618  1.22906       39.4      4.2      4.0     6.0
  122   5   3   0  39.168  78.336  1.21958       17.5      1.9      1.7     6.0
  123   4   3   2  39.206  78.413  1.21857       26.5      2.8      2.7     6.0
  124   6   1  -7  39.507  79.015  1.2108        38.2      4.1      3.8     6.0
  125   6   2  -6  39.87   79.739  1.2016        12.3      1.3      1.2     6.0
  126   0   2   7  40.403  80.806  1.18841       29.7      3.2      3.0     6.1
  127   4   4  -1  40.789  81.579  1.17909       22.5      2.4      2.2     6.1
  128   2   4   3  41.659  83.319  1.15884       10.7      1.1      1.1     6.1
  129   3   2  -8  41.705  83.409  1.15781       10.7      1.1      1.1     6.1
  130   7   2  -3  41.794  83.588  1.15579       17.0      1.8      1.7     6.1
  131   4   4   0  41.98   83.961  1.1516        14.5      1.6      1.4     6.1
  132   6   0  -8  42.136  84.273  1.14813       18.4      2.0      1.8     6.1
  133   2   3   5  42.179  84.359  1.14718       26.5      2.8      2.6     6.1
  134   3   3  -7  42.218  84.436  1.14633       15.7      1.7      1.5     6.1
  135   7   1   0  43.264  86.528  1.1239        43.8      4.7      4.3     6.1
  136   7   1  -7  43.622  87.244  1.11651       24.7      2.6      2.4     6.2
  137   5   2  -8  43.809  87.619  1.1127        51.5      5.5      5.0     6.2
  138   8   0  -3  44.222  88.445  1.10443       20.8      2.2      2.0     6.2
  139   4   1  -9  44.284  88.567  1.10322       35.5      3.8      3.5     6.2
  140   5   4  -2  44.384  88.767  1.10125       20.8      2.2      2.0     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)