Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

                            ***

          ***      W W W - X R A Y P O L       ***
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PIEMONTITE

10, t-epidote, syn, f-epidote, s-epidote

Ca(2)Al(2.15)Fe(0.1)Mn(0.7)Si(3)O(12)OH


Monoclinic  P 2(1)/m  Z = 2

P2(1)/m

20 .9 .17

Ref.Str.:

         Nagashima M., Akasaka M. (2010)

         * Amer. Mineral., 95, 1237-1246

         L: $Ca2 Al2.15 Fe0.12 Mn0.73 Si3 O13 H1$

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   8.8727   alpha =   90.0 
             b =   5.6686   beta  =  115.48
             c =  10.1682   gamma =   90.0 

    Unit cell volume (cub. angs.) =   461.67

    Molar volume ( cub.cm/mol.) =   139.04

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

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

   1 0.7554  0.75    0.152    0.0    Ca    = 1.00
   2 0.6006  0.75    0.4233   0.0    Ca    = 1.00
   3 0.0     0.0     0.0      0.0    Al    = 0.84, Fe    = 0.01, Mn    = 0.15
   4 0.0     0.0     0.5      0.0    Al    = 1.00
   5 0.2983  0.25    0.224    0.0    Al    = 0.31, Fe    = 0.11, Mn    = 0.58
   6 0.3374  0.75    0.046    0.0    Si    = 1.00
   7 0.6847  0.25    0.2748   0.0    Si    = 1.00
   8 0.1872  0.75    0.3218   0.0    Si    = 1.00
   9 0.2328  0.992   0.0346   0.0    O     = 1.00
  10 0.3061  0.9794  0.3433   0.0    O     = 1.00
  11 0.7982  0.019   0.3433   0.0    O     = 1.00
  12 0.062   0.25    0.137    0.0    O     = 1.00
  13 0.041   0.75    0.148    0.0    O     = 1.00
  14 0.064   0.75    0.408    0.0    O     = 1.00
  15 0.514   0.75    0.1793   0.0    O     = 1.00
  16 0.523   0.25    0.31     0.0    O     = 1.00
  17 0.622   0.25    0.0975   0.0    O     = 1.00
  18 0.083   0.25    0.4308   0.0    OH    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7554     0.75       0.152 
     2       2     0.6006     0.75       0.4233
     3       3     0.0        0.0        0.0   
     4       4     0.0        0.0        0.5   
     5       5     0.2983     0.25       0.224 
     6       6     0.3374     0.75       0.046 
     7       7     0.6847     0.25       0.2748
     8       8     0.1872     0.75       0.3218
     9       9     0.2328     0.992      0.0346
    10      10     0.3061     0.9794     0.3433
    11      11     0.7982     0.019      0.3433
    12      12     0.062      0.25       0.137 
    13      13     0.041      0.75       0.148 
    14      14     0.064      0.75       0.408 
    15      15     0.514      0.75       0.1793
    16      16     0.523      0.25       0.31  
    17      17     0.622      0.25       0.0975
    18      18     0.083      0.25       0.4308
    19       1     0.2446     0.25       0.848 
    20       2     0.3994     0.25       0.5767
    21       3     0.0        0.5        0.0   
    22       4     0.0        0.5        0.5   
    23       5     0.7017     0.75       0.776 
    24       6     0.6626     0.25       0.954 
    25       7     0.3153     0.75       0.7252
    26       8     0.8128     0.25       0.6782
    27       9     0.7672     0.492      0.9654
    28      10     0.6939     0.4794     0.6567
    29      11     0.2018     0.519      0.6567
    30      12     0.938      0.75       0.863 
    31      13     0.959      0.25       0.852 
    32      14     0.936      0.25       0.592 
    33      15     0.486      0.25       0.8207
    34      16     0.477      0.75       0.69  
    35      17     0.378      0.75       0.9025
    36      18     0.917      0.75       0.5692
    37       9     0.2328     0.508      0.0346
    38      10     0.3061     0.5206     0.3433
    39      11     0.7982     0.481      0.3433
    40       9     0.7672     0.008      0.9654
    41      10     0.6939     0.0206     0.6567
    42      11     0.2018     0.981      0.6567


X-ray density (g/cm cub.)   =      3.44

MU (1/cm) =     264.698    Mass attenuation coefficient (cm**2/g) =     76.969

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

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

    1    Ca                  2.928        7
                                                 2.3701      11
                                                 2.5518      13
                                                 2.8532      14
                                                 2.2751      15
                                                 2.4333       9
                                                 2.3701      11
                                                 2.4333       9
    2    Ca                  2.928        8
                                                 2.7114      10
                                                 2.6996      11
                                                 2.2596      15
                                                 2.642       10
                                                 2.5492      18
                                                 2.7114      10
                                                 2.6996      11
                                                 2.642       10
    3   Al   ,Fe   ,Mn       2.772        6
                                                 1.9409       9
                                                 1.8953      12
                                                 1.9835      13
                                                 1.8953      12
                                                 1.9835      13
                                                 1.9409       9
    4    Al                  2.364        6
                                                 1.8171      11
                                                 1.9139      14
                                                 1.8686      18
                                                 1.9139      14
                                                 1.8686      18
                                                 1.8171      11
    5   Al   ,Fe   ,Mn       2.772        6
                                                 2.2853       9
                                                 1.9383      10
                                                 1.8928      12
                                                 1.7999      16
                                                 2.2853       9
                                                 1.9383      10
    6    Si                  2.148        4
                                                 1.6322       9
                                                 1.5701      15
                                                 1.6465      17
                                                 1.6322       9
    7    Si                  2.148        4
                                                 1.6157      11
                                                 1.6212      16
                                                 1.6422      17
                                                 1.6157      11
    8    Si                  2.148        4
                                                 1.6289      10
                                                 1.6833      13
                                                 1.6696      14
                                                 1.6289      10
    9    O                   3.312       10
                                                 2.9197      10
                                                 2.6225      12
                                                 2.7921      13
                                                 2.6671      15
                                                 3.226       16
                                                 2.8002      12
                                                 2.7581      13
                                                 2.6143      17
                                                 2.925        9
                                                 2.7436       9
   10    O                   3.312        9
                                                 2.9197       9
                                                 2.745       12
                                                 2.6736      13
                                                 2.8203      14
                                                 3.2436      15
                                                 2.5946      16
                                                 2.9289      18
                                                 3.0678      10
                                                 2.6008      10
   11    O                   3.312        9
                                                 2.6429      14
                                                 2.8012      15
                                                 2.6609      16
                                                 2.654       17
                                                 2.6377      18
                                                 2.6352      14
                                                 2.5747      18
                                                 2.6189      11
                                                 3.0497      11
   12    O                   3.312       10
                                                 2.6225       9
                                                 2.745       10
                                                 2.8458      13
                                                 2.8458      13
                                                 2.9121      18
                                                 2.8002       9
                                                 2.6372      13
                                                 2.6225       9
                                                 2.745       10
                                                 2.8002       9
   13    O                   3.312       10
                                                 2.7921       9
                                                 2.6736      10
                                                 2.8458      12
                                                 2.8458      12
                                                 2.5626      14
                                                 2.7581       9
                                                 2.6372      12
                                                 2.7921       9
                                                 2.6736      10
                                                 2.7581       9
   14    O                   3.312       10
                                                 2.8203      10
                                                 2.6429      11
                                                 2.5626      13
                                                 2.8428      18
                                                 2.8428      18
                                                 2.6352      11
                                                 2.4955      18
                                                 2.8203      10
                                                 2.6429      11
                                                 2.6352      11
   15    O                   3.312       11
                                                 2.6671       9
                                                 3.2436      10
                                                 2.8012      11
                                                 3.1168      16
                                                 3.1168      16
                                                 3.2139      17
                                                 3.2139      17
                                                 2.5408      17
                                                 2.6671       9
                                                 3.2436      10
                                                 2.8012      11
   16    O                   3.312        9
                                                 3.226        9
                                                 2.5946      10
                                                 2.6609      11
                                                 3.1168      15
                                                 3.1168      15
                                                 2.6596      17
                                                 3.226        9
                                                 2.5946      10
                                                 2.6609      11
   17    O                   3.312        8
                                                 2.654       11
                                                 3.2139      15
                                                 3.2139      15
                                                 2.6596      16
                                                 2.6143       9
                                                 2.5408      15
                                                 2.654       11
                                                 2.6143       9
   18    OH                  3.36        10
                                                 2.9289      10
                                                 2.6377      11
                                                 2.9121      12
                                                 2.8428      14
                                                 2.8428      14
                                                 2.5747      11
                                                 2.4954      14
                                                 2.9289      10
                                                 2.6377      11
                                                 2.5747      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   9.627   0.054  281.03    2       10.2       27.3
    2   1   0   0  5.519  11.037   0.062  213.28    2       14.2       40.5
    3   1   0  -1  5.548  11.096   0.063  211.0     2       13.1       34.1
    4   1   0   1  8.768  17.535   0.099   83.15    2       10.0        7.8
    5   1   0  -2  8.824  17.647   0.1     82.07    2       60.7      283.7
    6   0   1   1  9.19   18.38    0.104   75.48    4        7.2        7.3
    7   1   1   0  9.583  19.166   0.108   69.24    4        9.8       12.4
    8   1   1  -1  9.6    19.2     0.108   68.99    4       16.7       36.2
    9   0   0   2  9.662  19.324   0.109   68.08    2        1.5        0.1
   10   2   0  -1  9.999  19.998   0.113   63.42    2        2.9        0.5
   11   2   0   0 11.089  22.178   0.125   51.17    2       54.5      142.7
   12   2   0  -2 11.149  22.298   0.126   50.6     2       64.8      199.1
   13   1   1   1 11.783  23.566   0.133   45.08    4       23.2       45.4
   14   1   1  -2 11.825  23.65    0.133   44.74    4       14.5       17.7
   15   0   1   2 12.471  24.942   0.14    40.02    4        0.9        0.1
   16   2   1  -1 12.737  25.475   0.143   38.28    4       64.8      301.3
   17   1   0   2 13.091  26.182   0.147   36.13    2       58.9      117.6
   18   1   0  -3 13.155  26.31    0.148   35.76    2       17.1        9.9
   19   2   1   0 13.621  27.242   0.153   33.22    4        8.8        4.9
   20   2   1  -2 13.67   27.34    0.153   32.97    4        6.6        2.7
   21   2   0   1 13.926  27.852   0.156   31.69    2       57.0       96.5
   22   2   0  -3 14.022  28.045   0.157   31.23    2       12.9        4.9
   23   0   0   3 14.581  29.162   0.163   28.74    2       39.1       41.3
   24   3   0  -1 15.279  30.559   0.171   26.0     2       27.1       18.0
   25   3   0  -2 15.313  30.625   0.171   25.87    2       75.2      137.1
   26   1   1   2 15.316  30.631   0.171   25.86    4       13.4        8.8
   27   1   1  -3 15.371  30.742   0.172   25.66    4      142.4      977.2
   28   0   2   0 15.77   31.539   0.176   24.29    2      128.3      375.1
   29   2   1   1 16.044  32.089   0.179   23.4     4       45.3       90.1
   30   2   1  -3 16.129  32.258   0.18    23.13    4       25.8       28.9
   31   0   2   1 16.525  33.05    0.185   21.95    4        7.4        2.3
   32   0   1   3 16.623  33.247   0.186   21.67    4       85.7      298.8
   33   1   2   0 16.755  33.511   0.187   21.3     4       75.2      225.9
   34   1   2  -1 16.765  33.531   0.187   21.27    4       10.1        4.1
   35   3   0   0 16.768  33.537   0.187   21.27    2       91.5      167.1
   36   3   0  -3 16.86   33.72    0.188   21.01    2       13.5        3.6
   37   3   1  -1 17.247  34.495   0.192   20.0     4      103.3      400.6
   38   3   1  -2 17.277  34.555   0.193   19.93    4       19.1       13.6
   39   2   0   2 17.749  35.498   0.198   18.79    2       95.9      162.0
   40   1   0   3 17.801  35.601   0.198   18.67    2        3.3        0.2
   41   2   0  -4 17.865  35.731   0.199   18.52    2       21.9        8.3
   42   1   0  -4 17.868  35.737   0.199   18.51    2       49.2       42.1
   43   1   2   1 18.156  36.311   0.202   17.88    4        9.4        3.0
   44   1   2  -2 18.184  36.368   0.203   17.82    4       56.8      108.0
   45   3   1   0 18.597  37.193   0.207   16.96    4       10.8        3.7
   46   0   2   2 18.628  37.255   0.207   16.9     4       84.8      227.8
   47   3   1  -3 18.681  37.361   0.208   16.79    4       96.7      294.8
   48   2   2  -1 18.814  37.629   0.209   16.53    4       36.5       41.4
   49   2   2   0 19.448  38.895   0.216   15.36    4       14.3        5.9
   50   3   0   1 19.471  38.942   0.216   15.32    2       19.4        5.4
   51   2   2  -2 19.484  38.967   0.217   15.3     4       64.6      119.8
   52   2   1   2 19.497  38.995   0.217   15.27    4       26.1       19.5
   53   1   1   3 19.545  39.09    0.217   15.19    4       45.9       60.1
   54   2   1  -4 19.605  39.21    0.218   15.09    4       35.3       35.2
   55   3   0  -4 19.605  39.21    0.218   15.09    2       32.6       15.1
   56   1   1  -4 19.607  39.215   0.218   15.09    4       28.8       23.5
   57   0   0   4 19.613  39.226   0.218   15.08    2        3.9        0.2
   58   4   0  -2 20.32   40.64    0.225   13.93    2       19.9        5.2
   59   1   2   2 20.719  41.438   0.23    13.34    4       14.5        5.3
   60   1   2  -3 20.761  41.523   0.23    13.28    4       47.3       55.8
   61   4   0  -1 20.898  41.797   0.232   13.09    2      114.4      160.7
   62   4   0  -3 20.966  41.932   0.232   12.99    2       40.5       20.0
   63   3   1   1 21.098  42.196   0.234   12.81    4        5.9        0.8
   64   3   1  -4 21.224  42.447   0.235   12.64    4       15.6        5.8
   65   0   1   4 21.231  42.462   0.235   12.63    4       26.4       16.5
   66   2   2   1 21.286  42.571   0.236   12.56    4       88.8      185.7
   67   2   2  -3 21.352  42.704   0.236   12.47    4       84.3      166.4
   68   0   2   3 21.744  43.487   0.24    11.97    4       83.8      157.8
   69   4   1  -2 21.895  43.79    0.242   11.79    4       20.0        8.8
   70   2   0   3 22.14   44.28    0.245   11.5     2       85.2       78.3
   71   3   2  -1 22.244  44.489   0.246   11.38    4       35.2       26.5
   72   3   2  -2 22.269  44.537   0.246   11.35    4       24.1       12.4
   73   2   0  -5 22.269  44.538   0.246   11.35    2       25.8        7.1
   74   4   1  -1 22.44   44.88    0.248   11.15    4        7.8        1.3
   75   4   1  -3 22.504  45.008   0.248   11.08    4        1.4        0.0
   76   4   0   0 22.623  45.247   0.25    10.95    2       75.1       58.0
   77   4   0  -4 22.75   45.501   0.251   10.81    2       13.4        1.8
   78   1   0   4 22.762  45.524   0.251   10.8     2       24.4        6.0
   79   1   0  -5 22.833  45.666   0.252   10.72    2       42.2       17.9
   80   3   0   2 23.031  46.062   0.254   10.52    2        9.9        1.0
   81   3   0  -5 23.195  46.391   0.256   10.35    2       44.5       19.2
   82   3   2   0 23.35   46.701   0.257   10.19    4       16.6        5.3
   83   3   2  -3 23.42   46.84    0.258   10.13    4       10.8        2.2
   84   2   1   3 23.617  47.234   0.26     9.94    4       42.3       33.4
   85   2   1  -5 23.74   47.479   0.261    9.82    4        2.7        0.1
   86   4   1   0 24.077  48.155   0.265    9.51    4        3.8        0.3
   87   2   2   2 24.105  48.209   0.265    9.49    4       71.1       90.1
   88   1   2   3 24.145  48.289   0.266    9.45    4       14.8        3.9
   89   2   2  -4 24.195  48.391   0.266    9.4     4       80.1      113.3
   90   1   2  -4 24.197  48.395   0.266    9.4     4       58.8       61.1
   91   4   1  -4 24.198  48.396   0.266    9.4     4        8.1        1.2
   92   1   1   4 24.209  48.418   0.266    9.39    4       49.3       42.9
   93   1   1  -5 24.277  48.554   0.267    9.33    4       42.9       32.3
   94   3   1   2 24.466  48.933   0.269    9.17    4       40.2       27.7
   95   0   3   1 24.595  49.19    0.27     9.06    4        4.0        0.3
   96   3   1  -5 24.623  49.246   0.27     9.04    4        5.8        0.6
   97   1   3   0 24.762  49.523   0.272    8.92    4       30.0       15.1
   98   1   3  -1 24.769  49.538   0.272    8.92    4       11.1        2.1
   99   0   0   5 24.808  49.616   0.272    8.88    2       19.6        3.2
  100   4   0   1 25.311  50.623   0.278    8.49    2       22.8        4.1
  101   3   2   1 25.472  50.945   0.279    8.37    4       22.4        7.9
  102   4   0  -5 25.486  50.972   0.279    8.36    2        7.7        0.5
  103   3   2  -4 25.581  51.163   0.28     8.29    4        4.8        0.4
  104   0   2   4 25.588  51.175   0.28     8.28    4       44.0       30.1
  105   1   3   1 25.799  51.599   0.283    8.13    4       26.4       10.6
  106   1   3  -2 25.821  51.642   0.283    8.11    4       18.5        5.2
  107   5   0  -2 25.838  51.675   0.283    8.1     2       79.7       48.3
  108   5   0  -3 25.874  51.747   0.283    8.07    2       32.3        7.9
  109   0   3   2 26.158  52.317   0.286    7.87    4        2.2        0.1
  110   4   2  -2 26.166  52.331   0.286    7.87    4       39.2       22.7
  111   0   1   5 26.17   52.34    0.286    7.87    4       41.0       24.9
  112   2   3  -1 26.301  52.603   0.288    7.78    4       50.5       37.2
  113   4   2  -1 26.644  53.288   0.291    7.55    4       20.0        5.7
  114   4   1   1 26.655  53.31    0.291    7.54    4       13.8        2.7
  115   4   2  -3 26.7    53.4     0.292    7.52    4       16.2        3.7
  116   2   3   0 26.792  53.584   0.293    7.46    4        9.1        1.2
  117   5   0  -1 26.817  53.635   0.293    7.44    2       18.5        2.4
  118   2   3  -2 26.82   53.64    0.293    7.44    4        5.5        0.4
  119   4   1  -5 26.823  53.646   0.293    7.44    4       64.5       58.1
  120   5   0  -4 26.922  53.845   0.294    7.37    2       19.9        2.8
  121   2   0   4 26.936  53.873   0.294    7.37    2       42.1       12.3
  122   2   0  -6 27.076  54.152   0.295    7.28    2       68.2       31.8
  123   5   1  -2 27.163  54.325   0.296    7.23    4       41.9       23.8
  124   5   1  -3 27.197  54.395   0.297    7.21    4       36.6       18.1
  125   3   0   3 27.212  54.423   0.297    7.2     2       18.5        2.3
  126   3   0  -6 27.398  54.797   0.299    7.09    2       69.7       32.3
  127   2   2   3 27.687  55.374   0.302    6.92    4        2.6        0.1
  128   2   2  -5 27.796  55.593   0.303    6.86    4       23.8        7.3
  129   1   3   2 27.798  55.596   0.303    6.86    4        9.2        1.1
  130   1   3  -3 27.832  55.664   0.303    6.84    4       93.7      112.8
  131   1   0   5 27.973  55.946   0.304    6.76    2       42.3       11.4
  132   1   0  -6 28.048  56.096   0.305    6.72    2      128.6      104.3
  133   4   2   0 28.099  56.197   0.306    6.69    4       48.8       29.9
  134   5   1  -1 28.11   56.22    0.306    6.69    4       98.8      122.4
  135   4   2  -4 28.207  56.414   0.307    6.63    4      121.9      185.1
  136   5   1  -4 28.212  56.424   0.307    6.63    4       30.6       11.7
  137   1   2   4 28.217  56.434   0.307    6.63    4       68.8       58.8
  138   2   1   4 28.226  56.451   0.307    6.62    4       43.5       23.6
  139   2   3   1 28.255  56.51    0.307    6.61    4       36.0       16.0
  140   1   2  -5 28.278  56.556   0.308    6.6     4        0.0        0.0
  141   2   3  -3 28.309  56.618   0.308    6.58    4       19.1        4.5
  142   2   1  -6 28.361  56.721   0.308    6.55    4       33.5       13.8
  143   3   2   2 28.448  56.896   0.309    6.51    4       66.2       53.5
  144   3   1   3 28.492  56.985   0.31     6.48    4       22.0        5.9
  145   3   2  -5 28.589  57.179   0.311    6.43    4        6.6        0.5
  146   0   3   3 28.628  57.256   0.311    6.41    4       67.7       55.2
  147   3   1  -6 28.674  57.347   0.311    6.39    4       11.3        1.5
  148   5   0   0 28.74   57.481   0.312    6.36    2       20.6        2.5
  149   4   0   2 28.773  57.546   0.312    6.34    2        2.1        0.0
  150   5   0  -5 28.907  57.815   0.314    6.28    2       20.0        2.4
  151   4   0  -6 28.986  57.973   0.315    6.24    2      143.8      121.0
  152   3   3  -1 29.04   58.08    0.315    6.21    4       91.9       98.4
  153   3   3  -2 29.06   58.12    0.315    6.2     4       31.5       11.5
  154   1   1   5 29.232  58.463   0.317    6.12    4       72.7       60.6
  155   1   1  -6 29.304  58.609   0.318    6.09    4       20.7        4.9
  156   3   3   0 29.962  59.923   0.324    5.79    4       19.1        4.0
  157   5   1   0 29.978  59.957   0.324    5.78    4       52.3       29.7
  158   0   2   5 29.994  59.988   0.324    5.78    4       11.0        1.3
  159   4   1   2 30.01   60.02    0.325    5.77    4       80.9       70.9
  160   3   3  -3 30.02   60.04    0.325    5.76    4       68.3       50.5
  161   5   1  -5 30.141  60.282   0.326    5.71    4       18.0        3.5
  162   4   1  -6 30.218  60.436   0.327    5.68    4        1.0        0.0
  163   0   0   6 30.232  60.463   0.327    5.68    2       51.9       14.4
  164   4   2   1 30.438  60.876   0.329    5.59    4        4.6        0.2
  165   4   2  -5 30.593  61.185   0.33     5.53    4       48.7       24.6
  166   2   3   2 30.6    61.199   0.33     5.52    4       21.8        4.9
  167   1   3   3 30.634  61.267   0.331    5.51    4       21.0        4.6
  168   2   3  -4 30.677  61.354   0.331    5.49    4       21.6        4.8
  169   1   3  -4 30.679  61.357   0.331    5.49    4       14.6        2.2
  170   5   2  -2 30.905  61.81    0.333    5.4     4       26.1        6.9
  171   5   2  -3 30.937  61.874   0.334    5.39    4        4.6        0.2
  172   6   0  -3 31.393  62.785   0.338    5.22    2       52.0       13.3
  173   0   1   6 31.434  62.867   0.339    5.21    4        6.0        0.3
  174   5   0   1 31.498  62.995   0.339    5.18    2        2.9        0.0
  175   5   0  -6 31.719  63.438   0.341    5.1     2       42.1        8.5
  176   3   3   1 31.775  63.55    0.342    5.08    4        8.5        0.7
  177   5   2  -1 31.781  63.563   0.342    5.08    4       37.0       13.0
  178   6   0  -2 31.807  63.613   0.342    5.07    2        6.4        0.2
  179   3   3  -4 31.869  63.739   0.343    5.05    4        6.5        0.4
  180   0   3   4 31.875  63.75    0.343    5.05    4       20.1        3.8
  181   5   2  -4 31.876  63.752   0.343    5.05    4      106.6      107.6
  182   6   0  -4 31.882  63.764   0.343    5.05    2       93.1       41.1
  183   2   2   4 31.889  63.777   0.343    5.04    4       60.6       34.7
  184   3   0   4 31.899  63.797   0.343    5.04    2       71.3       24.0
  185   2   2  -6 32.014  64.029   0.344    5.0     4       69.4       45.2
  186   2   0   5 32.106  64.211   0.345    4.97    2        2.2        0.0
  187   3   0  -7 32.106  64.212   0.345    4.97    2        5.7        0.2
  188   3   2   3 32.137  64.273   0.345    4.96    4       30.7        8.8
  189   2   0  -7 32.256  64.512   0.346    4.92    2       17.5        1.4
  190   3   2  -6 32.306  64.611   0.347    4.9     4      101.3       94.5
  191   4   3  -2 32.379  64.758   0.348    4.88    4        9.2        0.8
  192   6   1  -3 32.57   65.14    0.349    4.82    4       16.3        2.4
  193   5   1   1 32.673  65.346   0.35     4.79    4       28.2        7.1
  194   4   3  -1 32.799  65.597   0.352    4.75    4        2.9        0.1
  195   1   2   5 32.827  65.653   0.352    4.74    4       19.2        3.3
  196   4   3  -3 32.848  65.696   0.352    4.73    4        5.0        0.2
  197   4   0   3 32.877  65.754   0.352    4.72    2       51.2       11.6
  198   5   1  -6 32.89   65.78    0.352    4.72    4       10.4        1.0
  199   1   2  -6 32.895  65.789   0.353    4.72    4       28.5        7.2
  200   0   4   0 32.925  65.85    0.353    4.71    2      234.7      243.2
  201   6   1  -2 32.976  65.952   0.353    4.69    4       26.1        6.0
  202   6   1  -4 33.05   66.101   0.354    4.67    4       30.6        8.2
  203   3   1   4 33.066  66.133   0.354    4.66    4        1.6        0.0
  204   6   0  -1 33.106  66.212   0.355    4.65    2        9.8        0.4
  205   4   0  -7 33.124  66.248   0.355    4.65    2        1.8        0.0
  206   6   0  -5 33.254  66.507   0.356    4.61    2       36.5        5.7
  207   2   1   5 33.27   66.539   0.356    4.6     4       76.9       51.0
  208   3   1  -7 33.27   66.539   0.356    4.6     4       37.9       12.4
  209   0   4   1 33.366  66.731   0.357    4.58    4        7.4        0.5
  210   2   1  -7 33.417  66.834   0.357    4.56    4       41.5       14.8
  211   1   0   6 33.486  66.973   0.358    4.54    2        9.6        0.4
  212   1   4   0 33.503  67.006   0.358    4.54    4        7.2        0.4
  213   1   4  -1 33.509  67.019   0.358    4.53    4        7.6        0.5
  214   5   2   0 33.527  67.054   0.359    4.53    4       58.4       29.0
  215   4   2   2 33.557  67.114   0.359    4.52    4      137.1      159.5
  216   1   0  -7 33.566  67.132   0.359    4.52    2       45.0        8.6
  217   5   2  -5 33.68   67.36    0.36     4.49    4       19.9        3.3
  218   2   3   3 33.722  67.445   0.36     4.47    4       34.4        9.9
  219   4   2  -6 33.753  67.505   0.361    4.47    4       41.3       14.3
  220   2   3  -5 33.82   67.64    0.361    4.45    4        8.0        0.5
  221   4   1   3 34.027  68.054   0.363    4.39    4        2.9        0.1
  222   4   3   0 34.09   68.18    0.364    4.37    4        4.3        0.2
  223   4   3  -4 34.187  68.375   0.365    4.35    4        9.4        0.7
  224   1   3   4 34.196  68.392   0.365    4.35    4       50.2       20.5
  225   1   3  -5 34.251  68.502   0.365    4.33    4       30.0        7.3
  226   6   1  -1 34.252  68.505   0.365    4.33    4       40.5       13.3
  227   4   1  -7 34.27   68.54    0.366    4.33    4       34.7        9.8
  228   1   4   1 34.368  68.736   0.366    4.3     4        3.9        0.1
  229   1   4  -2 34.386  68.773   0.367    4.3     4       34.3        9.5
  230   6   1  -5 34.398  68.795   0.367    4.29    4       10.2        0.8
  231   3   3   2 34.404  68.807   0.367    4.29    4       19.2        3.0
  232   3   3  -5 34.531  69.061   0.368    4.26    4       16.5        2.2
  233   1   1   6 34.627  69.253   0.369    4.24    4        2.0        0.0
  234   0   4   2 34.671  69.342   0.369    4.23    4        3.1        0.1
  235   1   1  -7 34.705  69.41    0.37     4.22    4        0.6        0.0
  236   2   4  -1 34.792  69.584   0.37     4.2     4        2.2        0.0
  237   0   2   6 34.901  69.802   0.371    4.17    4       71.1       39.5
  238   5   0   2 34.989  69.978   0.372    4.15    2       81.1       25.6
  239   2   4   0 35.21   70.419   0.374    4.1     4       30.4        7.1
  240   2   4  -2 35.233  70.467   0.374    4.09    4       36.3       10.1
  241   6   0   0 35.241  70.481   0.375    4.09    2       30.4        3.6
  242   5   0  -7 35.259  70.518   0.375    4.08    2       11.8        0.5
  243   6   0  -6 35.456  70.911   0.377    4.04    2       19.9        1.5
  244   0   3   5 35.803  71.607   0.38     3.96    4       35.8        9.5
  245   0   0   7 35.973  71.947   0.381    3.92    2       30.0        3.3
  246   6   2  -3 35.982  71.964   0.381    3.92    4       40.9       12.3
  247   1   4   2 36.075  72.15    0.382    3.9     4       35.8        9.4
  248   5   2   1 36.08   72.161   0.382    3.9     4       20.1        3.0
  249   1   4  -3 36.105  72.21    0.383    3.9     4       10.9        0.9
  250   5   1   2 36.107  72.215   0.383    3.9     4       28.0        5.7
  251   4   3   1 36.209  72.419   0.383    3.88    4       13.3        1.3
  252   5   2  -6 36.288  72.575   0.384    3.86    4       44.2       14.1
  253   4   3  -5 36.351  72.703   0.385    3.85    4       57.2       23.6
  254   6   1   0 36.356  72.711   0.385    3.85    4       19.5        2.7
  255   6   2  -2 36.37   72.74    0.385    3.84    4       77.8       43.7
  256   5   1  -7 36.374  72.747   0.385    3.84    4        6.5        0.3
  257   6   2  -4 36.441  72.882   0.386    3.83    4       75.1       40.5
  258   3   2   4 36.456  72.913   0.386    3.83    4        4.2        0.1
  259   2   4   1 36.473  72.946   0.386    3.82    4       39.2       11.0
  260   2   4  -3 36.52   73.04    0.386    3.81    4        1.8        0.0
  261   6   1  -6 36.568  73.136   0.387    3.8     4       21.1        3.2
  262   5   3  -2 36.638  73.277   0.387    3.79    4       45.2       14.6
  263   2   2   5 36.651  73.302   0.387    3.79    4       33.2        7.8
  264   3   2  -7 36.651  73.302   0.387    3.79    4       15.8        1.8
  265   5   3  -3 36.668  73.336   0.388    3.78    4       27.4        5.3
  266   2   2  -7 36.792  73.584   0.389    3.76    4        8.1        0.5
  267   0   4   3 36.799  73.598   0.389    3.76    4       18.2        2.3
  268   3   0   5 37.075  74.149   0.391    3.71    2       65.0       14.7
  269   0   1   7 37.08   74.159   0.391    3.71    4       52.8       19.3
  270   3   4  -1 37.161  74.322   0.392    3.69    4       17.3        2.1
  271   3   4  -2 37.179  74.357   0.392    3.69    4       54.3       20.4
  272   3   0  -8 37.303  74.606   0.393    3.66    2       86.0       25.4
  273   4   2   3 37.378  74.756   0.394    3.65    4       79.6       43.4
  274   5   3  -1 37.448  74.896   0.395    3.64    4       97.1       64.3
  275   7   0  -3 37.509  75.017   0.395    3.63    2       25.6        2.2
  276   5   3  -4 37.536  75.072   0.395    3.62    4       14.9        1.5
  277   2   3   4 37.548  75.095   0.396    3.62    4       36.2        8.9
  278   7   0  -4 37.549  75.099   0.396    3.62    2       31.1        3.3
  279   4   0   4 37.568  75.136   0.396    3.62    2       63.7       13.8
  280   6   2  -1 37.594  75.189   0.396    3.61    4       51.7       18.1
  281   4   2  -7 37.611  75.223   0.396    3.61    4        9.5        0.6
  282   2   3  -6 37.664  75.329   0.397    3.6     4       28.2        5.4
  283   2   0   6 37.691  75.383   0.397    3.6     2       56.3       10.7
  284   6   2  -5 37.734  75.469   0.397    3.59    4       81.4       44.7
  285   3   3   3 37.778  75.556   0.398    3.58    4       26.4        4.7
  286   4   0  -8 37.848  75.696   0.398    3.57    2       25.2        2.1
  287   2   0  -8 37.855  75.709   0.398    3.57    2       63.2       13.4
  288   3   3  -6 37.935  75.871   0.399    3.55    4       17.7        2.1
  289   1   2   6 37.955  75.91    0.399    3.55    4       43.7       12.7
  290   3   4   0 37.978  75.957   0.399    3.55    4       64.9       28.1
  291   1   2  -7 38.03   76.061   0.4      3.54    4       12.2        1.0
  292   3   4  -3 38.031  76.061   0.4      3.54    4        8.8        0.5
  293   6   0   1 38.154  76.307   0.401    3.52    2       18.7        1.2
  294   3   1   5 38.169  76.337   0.401    3.52    4        6.0        0.2
  295   7   0  -2 38.3    76.6     0.402    3.5     2       15.1        0.7
  296   3   1  -8 38.395  76.79    0.403    3.48    4        0.0        0.0
  297   1   3   5 38.422  76.844   0.403    3.48    4       65.4       27.9
  298   7   0  -5 38.422  76.844   0.403    3.48    2       10.8        0.4
  299   6   0  -7 38.432  76.864   0.403    3.47    2       29.4        2.8
  300   1   3  -6 38.486  76.971   0.404    3.47    4        5.8        0.2
  301   2   4   2 38.55   77.1     0.405    3.46    4       78.7       40.2
  302   1   4   3 38.58   77.161   0.405    3.45    4        1.5        0.0
  303   7   1  -3 38.598  77.197   0.405    3.45    4        4.8        0.1
  304   2   4  -4 38.619  77.239   0.405    3.45    4        7.2        0.3
  305   1   4  -4 38.621  77.242   0.405    3.45    4       38.2        9.4
  306   7   1  -4 38.639  77.278   0.405    3.44    4       21.2        2.9
  307   4   1   4 38.657  77.315   0.405    3.44    4       15.1        1.5
  308   2   1   6 38.78   77.559   0.407    3.42    4       20.7        2.7
  309   4   1  -8 38.935  77.869   0.408    3.4     4       11.2        0.8
  310   2   1  -8 38.941  77.883   0.408    3.4     4        2.8        0.1
  311   5   3   0 39.079  78.158   0.409    3.38    4       47.3       14.2
  312   4   3   2 39.107  78.214   0.409    3.37    4       67.2       28.6
  313   5   0   3 39.158  78.315   0.41     3.37    2       12.5        0.5
  314   5   3  -5 39.223  78.446   0.41     3.36    4        3.5        0.1
  315   6   1   1 39.238  78.476   0.411    3.36    4        4.5        0.1
  316   4   3  -6 39.291  78.583   0.411    3.35    4        1.4        0.0
  317   7   1  -2 39.383  78.766   0.412    3.34    4       13.5        1.1
  318   5   2   2 39.388  78.775   0.412    3.34    4       20.8        2.7
  319   1   0   7 39.401  78.802   0.412    3.33    2       20.3        1.3
  320   5   0  -8 39.474  78.948   0.413    3.32    2       11.6        0.4
  321   1   0  -8 39.487  78.975   0.413    3.32    2       14.9        0.7
  322   7   1  -5 39.504  79.008   0.413    3.32    4        2.4        0.0
  323   6   1  -7 39.514  79.028   0.413    3.32    4       75.0       35.0
  324   3   4   1 39.614  79.227   0.414    3.3     4       16.4        1.7
  325   6   2   0 39.629  79.257   0.414    3.3     4       27.6        4.7
  326   5   2  -7 39.646  79.292   0.414    3.3     4       31.6        6.2
  327   3   4  -4 39.7    79.4     0.415    3.29    4       36.5        8.2
  328   0   4   4 39.705  79.41    0.415    3.29    4       10.2        0.6
  329   6   2  -6 39.835  79.67    0.416    3.28    4       49.4       15.0
  330   7   0  -1 39.909  79.817   0.416    3.27    2       23.1        1.6
  331   7   0  -6 40.109  80.218   0.418    3.24    2        2.8        0.0
  332   4   4  -2 40.166  80.332   0.419    3.23    4        1.2        0.0
  333   5   1   3 40.234  80.468   0.419    3.23    4        8.5        0.4
  334   0   2   7 40.333  80.667   0.42     3.21    4       61.0       22.5
  335   0   3   6 40.379  80.757   0.421    3.21    4        2.1        0.0
  336   1   1   7 40.476  80.952   0.421    3.2     4       20.0        2.4
  337   5   1  -8 40.548  81.097   0.422    3.19    4        0.5        0.0
  338   4   4  -1 40.552  81.104   0.422    3.19    4       64.0       24.5
  339   1   1  -8 40.562  81.123   0.422    3.19    4        2.0        0.0
  340   4   4  -3 40.598  81.195   0.422    3.18    4       21.7        2.8
  341   7   1  -1 40.98   81.961   0.426    3.14    4       10.2        0.6
  342   7   1  -6 41.18   82.359   0.427    3.12    4       42.2       10.4
  343   3   2   5 41.398  82.795   0.429    3.1     4       39.2        8.9
  344   2   4   3 41.408  82.816   0.429    3.1     4       46.3       12.4
  345   6   3  -3 41.411  82.822   0.429    3.1     4       15.3        1.4
  346   2   4  -5 41.499  82.997   0.43     3.09    4       12.9        1.0
  347   5   3   1 41.505  83.01    0.43     3.09    4       32.1        5.9
  348   3   2  -8 41.619  83.239   0.431    3.07    4       46.2       12.3
  349   5   3  -6 41.704  83.408   0.432    3.07    4        6.2        0.2
  350   4   4   0 41.751  83.501   0.432    3.06    4       48.5       13.5
  351   6   3  -2 41.783  83.566   0.433    3.06    4       25.4        3.7
  352   6   0   2 41.809  83.619   0.433    3.06    2       17.9        0.9
  353   7   2  -3 41.819  83.638   0.433    3.06    4       46.7       12.5
  354   4   4  -4 41.842  83.683   0.433    3.05    4       12.0        0.8
  355   1   4   4 41.85   83.7     0.433    3.05    4       16.1        1.5
  356   6   3  -4 41.851  83.702   0.433    3.05    4       28.9        4.8
  357   7   2  -4 41.859  83.717   0.433    3.05    4       12.5        0.9
  358   3   3   4 41.866  83.732   0.433    3.05    4        8.3        0.4
  359   4   2   4 41.877  83.754   0.433    3.05    4       21.4        2.6
  360   1   4  -5 41.901  83.802   0.434    3.05    4       24.4        3.4
  361   2   2   6 41.997  83.994   0.434    3.04    4       29.7        5.0
  362   3   4   2 42.044  84.088   0.435    3.03    4        5.8        0.2
  363   2   3   5 42.053  84.106   0.435    3.03    4       68.1       26.4
  364   3   3  -7 42.053  84.106   0.435    3.03    4       33.0        6.2
  365   4   2  -8 42.149  84.298   0.436    3.02    4       23.6        3.1
  366   6   0  -8 42.15   84.3     0.436    3.02    2       75.8       16.3
  367   2   2  -8 42.156  84.311   0.436    3.02    4       33.0        6.2
  368   3   4  -5 42.163  84.326   0.436    3.02    4       27.2        4.2
  369   0   0   8 42.17   84.339   0.436    3.02    2        5.6        0.1
  370   2   3  -7 42.189  84.378   0.436    3.02    4       34.2        6.6
  371   7   0   0 42.313  84.626   0.437    3.01    2        1.9        0.0
  372   6   2   1 42.447  84.894   0.438    3.0     4       10.2        0.6
  373   7   2  -2 42.59   85.18    0.439    2.99    4       17.9        1.8
  374   7   0  -7 42.59   85.181   0.439    2.99    2        8.5        0.2
  375   7   2  -5 42.709  85.418   0.44     2.98    4       12.7        0.9
  376   6   2  -7 42.719  85.438   0.44     2.98    4        6.7        0.2
  377   4   3   3 42.755  85.51    0.441    2.97    4        0.4        0.0
  378   3   0   6 42.805  85.61    0.441    2.97    2       11.0        0.3
  379   4   0   5 42.872  85.743   0.442    2.96    2        6.2        0.1
  380   6   1   2 42.872  85.744   0.442    2.96    4        9.7        0.5
  381   6   3  -1 42.965  85.929   0.442    2.96    4       35.2        6.9
  382   4   3  -7 42.981  85.962   0.443    2.96    4       32.9        6.0
  383   3   0  -9 43.059  86.119   0.443    2.95    2       20.9        1.2
  384   6   3  -5 43.1    86.201   0.444    2.95    4        4.2        0.1
  385   4   0  -9 43.188  86.377   0.444    2.94    2        0.7        0.0
  386   0   5   1 43.203  86.407   0.444    2.94    4        5.6        0.2
  387   6   1  -8 43.211  86.423   0.444    2.94    4       28.6        4.5
  388   0   1   8 43.231  86.462   0.445    2.94    4       53.3       15.7
  389   1   3   6 43.315  86.629   0.445    2.93    4       10.9        0.7
  390   1   5   0 43.33   86.66    0.445    2.93    4        6.5        0.2
  391   1   5  -1 43.336  86.671   0.445    2.93    4        9.4        0.5
  392   0   4   5 43.365  86.731   0.446    2.93    4       12.8        0.9
  393   7   1   0 43.374  86.748   0.446    2.93    4       68.9       26.1
  394   1   3  -7 43.388  86.776   0.446    2.93    4        5.7        0.2
  395   5   2   3 43.429  86.858   0.446    2.92    4       10.3        0.6
  396   7   1  -7 43.651  87.301   0.448    2.91    4       68.7       25.7
  397   1   2   7 43.668  87.336   0.448    2.91    4        2.9        0.0
  398   5   2  -8 43.74   87.48    0.449    2.9     4       66.8       24.3
  399   4   4   1 43.752  87.504   0.449    2.9     4        7.4        0.3
  400   1   2  -8 43.753  87.506   0.449    2.9     4       62.9       21.5
  401   2   0   7 43.811  87.622   0.449    2.9     2       44.8        5.5
  402   3   1   6 43.865  87.729   0.45     2.89    4       32.4        5.7
  403   4   4  -5 43.888  87.775   0.45     2.89    4        2.4        0.0
  404   4   1   5 43.931  87.863   0.45     2.89    4       35.8        6.9
  405   8   0  -4 43.99   87.98    0.451    2.89    2       12.4        0.4
  406   2   0  -9 43.992  87.983   0.451    2.88    2       48.1        6.3
  407   5   0   4 44.011  88.023   0.451    2.88    2        1.1        0.0
  408   3   1  -9 44.119  88.237   0.452    2.88    4       18.6        1.9
  409   1   5   1 44.132  88.264   0.452    2.88    4        6.3        0.2
  410   1   5  -2 44.149  88.298   0.452    2.88    4        1.7        0.0
  411   5   4  -2 44.162  88.324   0.452    2.87    4       54.0       15.7
  412   7   2  -1 44.167  88.334   0.452    2.87    4       28.9        4.5
  413   5   4  -3 44.19   88.381   0.452    2.87    4       16.9        1.5
  414   4   1  -9 44.247  88.495   0.453    2.87    4       82.6       36.8
  415   8   0  -3 44.348  88.697   0.454    2.86    2       89.7       21.6
  416   7   2  -6 44.365  88.729   0.454    2.86    4       30.2        4.9
  417   5   0  -9 44.378  88.756   0.454    2.86    2       11.1        0.3
  418   0   5   2 44.415  88.83    0.454    2.86    4        0.6        0.0
  419   8   0  -5 44.439  88.878   0.454    2.86    2       34.2        3.1
  420   2   5  -1 44.528  89.057   0.455    2.85    4       34.6        6.4
  421   5   3   2 44.713  89.426   0.457    2.84    4       36.5        7.1
  422   2   1   7 44.869  89.738   0.458    2.83    4       35.2        6.6
  423   2   5   0 44.921  89.841   0.458    2.83    4        6.9        0.3
  424   5   4  -1 44.941  89.882   0.459    2.83    4       19.1        1.9
  425   2   5  -2 44.943  89.886   0.459    2.83    4        0.9        0.0
  426   6   3   0 44.95   89.9     0.459    2.83    4       14.7        1.2
  427   5   3  -7 44.967  89.934   0.459    2.83    4       11.4        0.7


  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   9.627  9.17919       27.3      2.8      2.8     5.6
    2   1   0   0   5.519  11.037  8.0097        40.5      4.1      4.2     5.6
    3   1   0  -1   5.548  11.096  7.9674        34.1      3.5      3.5     5.6
    4   1   0  -2   8.824  17.647  5.02165      283.7     29.0     29.3     5.6
    5   1   1  -1   9.6    19.2    4.61886       48.7      5.0      5.0     5.6
    6   2   0   0  11.089  22.178  4.00485      142.7     14.6     14.7     5.6
    7   2   0  -2  11.149  22.298  3.9837       199.1     20.4     20.5     5.6
    8   1   1   1  11.783  23.566  3.77215       45.4      4.7      4.7     5.6
    9   1   1  -2  11.825  23.65   3.75886       17.7      1.8      1.8     5.6
   10   2   1  -1  12.737  25.475  3.49358      301.3     30.8     31.0     5.6
   11   1   0   2  13.091  26.182  3.40078      117.6     12.0     12.1     5.6
   12   1   0  -3  13.155  26.31   3.38458        9.9      1.0      1.0     5.6
   13   2   0   1  13.926  27.852  3.20056       96.5      9.9      9.9     5.6
   14   0   0   3  14.581  29.162  3.05973       41.3      4.2      4.2     5.6
   15   3   0  -1  15.279  30.559  2.92296       18.0      1.8      1.8     5.6
   16   3   0  -2  15.313  30.625  2.91676      145.9     14.9     14.9     5.6
   17   1   1  -3  15.371  30.742  2.906        977.2    100.0    100.0     5.6
   18   0   2   0  15.77   31.539  2.8343       375.1     38.4     38.4     5.6
   19   2   1   1  16.044  32.089  2.78701       90.1      9.2      9.2     5.6
   20   2   1  -3  16.129  32.258  2.77275       28.9      3.0      3.0     5.6
   21   0   1   3  16.623  33.247  2.69253      298.8     30.6     30.5     5.6
   22   1   2   0  16.755  33.511  2.67195      397.0     40.6     40.5     5.7
   23   3   1  -1  17.247  34.495  2.59792      400.6     41.0     40.9     5.7
   24   3   1  -2  17.277  34.555  2.59356       13.6      1.4      1.4     5.7
   25   2   0   2  17.749  35.498  2.52674      162.0     16.6     16.5     5.7
   26   1   0  -4  17.868  35.737  2.51045       50.4      5.2      5.1     5.7
   27   1   2  -2  18.184  36.368  2.46828      108.0     11.1     11.0     5.7
   28   0   2   2  18.628  37.255  2.41152      227.8     23.3     23.2     5.7
   29   3   1  -3  18.681  37.361  2.40494      294.8     30.2     30.0     5.7
   30   2   2  -1  18.814  37.629  2.38845       41.4      4.2      4.2     5.7
   31   2   2   0  19.448  38.895  2.31353       11.3      1.2      1.1     5.7
   32   2   2  -2  19.484  38.967  2.30943      139.3     14.3     14.2     5.7
   33   1   1   3  19.545  39.09   2.30247       60.1      6.1      6.1     5.7
   34   2   1  -4  19.605  39.21   2.29571       74.0      7.6      7.5     5.7
   35   1   2  -3  20.761  41.523  2.173         55.8      5.7      5.7     5.7
   36   4   0  -1  20.898  41.797  2.1594       160.7     16.4     16.3     5.7
   37   4   0  -3  20.966  41.932  2.15275       20.0      2.0      2.0     5.7
   38   0   1   4  21.231  42.462  2.12711       22.3      2.3      2.3     5.7
   39   2   2   1  21.286  42.571  2.12188      185.7     19.0     18.8     5.7
   40   2   2  -3  21.352  42.704  2.11557      166.4     17.0     16.8     5.7
   41   0   2   3  21.744  43.487  2.07929      157.8     16.2     16.0     5.7
   42   2   0   3  22.14   44.28   2.04389       78.3      8.0      7.9     5.7
   43   3   2  -1  22.244  44.489  2.03477       46.0      4.7      4.6     5.7
   44   4   0   0  22.623  45.247  2.00243       58.0      5.9      5.9     5.7
   45   1   0  -5  22.833  45.666  1.98503       17.9      1.8      1.8     5.7
   46   3   0  -5  23.195  46.391  1.95569       19.2      2.0      1.9     5.7
   47   2   1   3  23.617  47.234  1.92272       33.4      3.4      3.4     5.7
   48   2   2   2  24.105  48.209  1.88607       90.1      9.2      9.1     5.7
   49   2   2  -4  24.195  48.391  1.87943      218.4     22.4     22.0     5.7
   50   1   1  -5  24.277  48.554  1.87348       32.3      3.3      3.2     5.7
   51   3   1   2  24.466  48.933  1.85986       27.7      2.8      2.8     5.7
   52   1   3   0  24.762  49.523  1.83905       17.1      1.8      1.7     5.7
   53   0   2   4  25.588  51.175  1.78351       30.1      3.1      3.0     5.8
   54   1   3   1  25.799  51.599  1.76986       15.8      1.6      1.6     5.8
   55   5   0  -2  25.838  51.675  1.76741       48.3      4.9      4.8     5.8
   56   0   1   5  26.17   52.34   1.74653       47.5      4.9      4.8     5.8
   57   2   3  -1  26.301  52.603  1.73841       37.2      3.8      3.7     5.8
   58   4   1  -5  26.823  53.646  1.70703       62.0      6.3      6.2     5.8
   59   2   0   4  26.936  53.873  1.70039       15.0      1.5      1.5     5.8
   60   2   0  -6  27.076  54.152  1.69229       31.8      3.3      3.2     5.8
   61   5   1  -2  27.163  54.325  1.6873        23.8      2.4      2.4     5.8
   62   5   1  -3  27.197  54.395  1.68531       20.5      2.1      2.0     5.8
   63   3   0  -6  27.398  54.797  1.67388       32.3      3.3      3.2     5.8
   64   1   3  -3  27.832  55.664  1.64984      112.8     11.5     11.2     5.8
   65   1   0   5  27.973  55.946  1.6422        11.4      1.2      1.1     5.8
   66   1   0  -6  28.048  56.096  1.63817      104.3     10.7     10.4     5.8
   67   5   1  -1  28.11   56.22   1.63483      152.3     15.6     15.2     5.8
   68   4   2  -4  28.207  56.414  1.62967      279.1     28.6     27.8     5.8
   69   2   3   1  28.255  56.51   1.62713       16.0      1.6      1.6     5.8
   70   2   1  -6  28.361  56.721  1.62157       13.8      1.4      1.4     5.8
   71   3   2   2  28.448  56.896  1.617         53.5      5.5      5.3     5.8
   72   0   3   3  28.628  57.256  1.60768       55.2      5.6      5.5     5.8
   73   4   0  -6  28.986  57.973  1.58951      121.0     12.4     12.0     5.8
   74   3   3  -1  29.04   58.08   1.58684      110.0     11.3     10.9     5.8
   75   1   1   5  29.232  58.463  1.57734       60.6      6.2      6.0     5.8
   76   5   1   0  29.978  59.957  1.54157       33.7      3.4      3.3     5.8
   77   3   3  -3  30.02   60.04   1.53962      122.7     12.6     12.1     5.8
   78   0   0   6  30.232  60.463  1.52987       14.4      1.5      1.4     5.8
   79   4   2  -5  30.593  61.185  1.51352       29.5      3.0      2.9     5.8
   80   6   0  -3  31.393  62.785  1.47875       13.3      1.4      1.3     5.9
   81   5   2  -1  31.781  63.563  1.46252       13.2      1.4      1.3     5.9
   82   3   0   4  31.899  63.797  1.45771      211.3     21.6     20.8     5.9
   83   2   2  -6  32.014  64.029  1.453         45.2      4.6      4.4     5.9
   84   3   2  -6  32.306  64.611  1.4413        94.5      9.7      9.3     5.9
   85   4   0   3  32.877  65.754  1.41899       19.7      2.0      1.9     5.9
   86   0   4   0  32.925  65.85   1.41715      243.2     24.9     23.9     5.9
   87   3   1  -7  33.27   66.539  1.40413       69.2      7.1      6.8     5.9
   88   2   1  -7  33.417  66.834  1.39866       14.8      1.5      1.4     5.9
   89   5   2   0  33.527  67.054  1.3946        29.0      3.0      2.8     5.9
   90   4   2   2  33.557  67.114  1.39351      168.0     17.2     16.5     5.9
   91   2   3   3  33.722  67.445  1.38747        9.9      1.0      1.0     5.9
   92   4   2  -6  33.753  67.505  1.38638       14.3      1.5      1.4     5.9
   93   1   3   4  34.196  68.392  1.37054       20.5      2.1      2.0     5.9
   94   4   1  -7  34.27   68.54   1.36794       30.4      3.1      3.0     5.9
   95   1   4  -2  34.386  68.773  1.36388       13.3      1.4      1.3     5.9
   96   0   2   6  34.901  69.802  1.34627       39.5      4.0      3.9     5.9
   97   5   0   2  34.989  69.978  1.34331       25.6      2.6      2.5     5.9
   98   2   4  -2  35.233  70.467  1.33518       21.3      2.2      2.1     5.9
   99   6   2  -3  35.982  71.964  1.31104       15.6      1.6      1.5     5.9
  100   1   4   2  36.075  72.15   1.30812       13.2      1.4      1.3     5.9
  101   5   2  -6  36.288  72.575  1.3015        14.1      1.4      1.4     6.0
  102   6   2  -2  36.37   72.74   1.29896       70.4      7.2      6.8     6.0
  103   6   2  -4  36.441  72.882  1.29678       40.7      4.2      3.9     6.0
  104   2   4   1  36.473  72.946  1.29581       11.0      1.1      1.1     6.0
  105   5   3  -2  36.638  73.277  1.29076       29.5      3.0      2.9     6.0
  106   0   1   7  37.08   74.159  1.27758       34.1      3.5      3.3     6.0
  107   3   4  -2  37.179  74.357  1.27466       22.5      2.3      2.2     6.0
  108   3   0  -8  37.303  74.606  1.27102       25.4      2.6      2.5     6.0
  109   4   2   3  37.378  74.756  1.26885       43.4      4.4      4.2     6.0
  110   5   3  -1  37.448  74.896  1.26682       64.3      6.6      6.2     6.0
  111   4   0   4  37.568  75.136  1.26337       44.7      4.6      4.3     6.0
  112   2   0   6  37.691  75.383  1.25984       16.1      1.6      1.5     6.0
  113   6   2  -5  37.734  75.469  1.25863       44.7      4.6      4.3     6.0
  114   2   0  -8  37.855  75.709  1.25522       15.5      1.6      1.5     6.0
  115   3   4   0  37.978  75.957  1.25175       42.9      4.4      4.1     6.0
  116   1   3   5  38.422  76.844  1.2395        31.1      3.2      3.0     6.0
  117   2   4   2  38.55   77.1    1.23602       40.2      4.1      3.9     6.0
  118   1   4  -4  38.621  77.242  1.2341        12.3      1.3      1.2     6.0
  119   4   3   2  39.107  78.214  1.22117       42.8      4.4      4.1     6.0
  120   6   1  -7  39.514  79.028  1.21063       35.0      3.6      3.4     6.0
  121   6   2   0  39.629  79.257  1.2077        12.6      1.3      1.2     6.0
  122   6   2  -6  39.835  79.67   1.20247       15.0      1.5      1.4     6.0
  123   0   2   7  40.333  80.667  1.19011       22.5      2.3      2.1     6.1
  124   4   4  -1  40.552  81.104  1.18479       24.5      2.5      2.3     6.1
  125   7   1  -6  41.18   82.359  1.16989       10.4      1.1      1.0     6.1
  126   2   4   3  41.408  82.816  1.1646        22.7      2.3      2.2     6.1
  127   3   2  -8  41.619  83.239  1.15975       12.3      1.3      1.2     6.1
  128   4   4   0  41.751  83.501  1.15677       13.5      1.4      1.3     6.1
  129   7   2  -3  41.819  83.638  1.15523       13.3      1.4      1.3     6.1
  130   4   2   4  41.877  83.754  1.15392       13.6      1.4      1.3     6.1
  131   2   3   5  42.053  84.106  1.14998       32.6      3.3      3.1     6.1
  132   3   4  -5  42.163  84.326  1.14754       36.6      3.7      3.5     6.1
  133   6   3  -1  42.965  85.929  1.13019       12.9      1.3      1.2     6.1
  134   0   1   8  43.231  86.462  1.12459       20.2      2.1      1.9     6.1
  135   7   1   0  43.374  86.748  1.12162       26.3      2.7      2.5     6.1
  136   7   1  -7  43.651  87.301  1.11593       25.8      2.6      2.4     6.2
  137   5   2  -8  43.74   87.48   1.11411       46.1      4.7      4.3     6.2
  138   5   4  -2  44.162  88.324  1.10562       21.8      2.2      2.0     6.2
  139   4   1  -9  44.247  88.495  1.10393       36.8      3.8      3.4     6.2
  140   8   0  -3  44.348  88.697  1.10194       26.9      2.7      2.5     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)