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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CLINOZOISITE

4, t-epidote, at 42 kbar, f-epidote, s-epidote

Ca(2)Al(2)[Al(0.79)Fe(0.22)]Si(3)O(12)OH


Monoclinic  P 2(1)/m  Z = 2

R =0.048          NR =1100

23 .6 .1998

Ref.Str.:

         Comodi P., Zanazzi P.F. (1997)

         * Amer. Mineral., 82, 61-68

Reserv:

         See U(ij) in the original.   N.A.D.

                   Initial data from BDM-file 

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

             a =   8.793    alpha =   90.0 
             b =   5.526    beta  =  115.3 
             c =   9.996    gamma =   90.0 

    Unit cell volume (cub. angs.) =   439.12

    Molar volume ( cub.cm/mol.) =   132.25

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

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

   1 0.7592  0.75    0.1529   0.0    Ca    = 1.00
   2 0.6048  0.75    0.4276   0.0    Ca    = 1.00
   3 0.341   0.75    0.0508   0.0    Si    = 1.00
   4 0.68    0.25    0.2751   0.0    Si    = 1.00
   5 0.1837  0.75    0.317    0.0    Si    = 1.00
   6 0.0     0.0     0.0      0.0    Al    = 1.00
   7 0.0     0.0     0.5      0.0    Al    = 1.00
   8 0.2913  0.25    0.2237   0.0    Fe    = 1.00
   9 0.2354  0.998   0.0455   0.0    O     = 1.00
  10 0.3037  0.985   0.3532   0.0    O     = 1.00
  11 0.7911  0.014   0.3439   0.0    O     = 1.00
  12 0.053   0.25    0.135    0.0    O     = 1.00
  13 0.039   0.75    0.142    0.0    O     = 1.00
  14 0.063   0.75    0.404    0.0    O     = 1.00
  15 0.516   0.75    0.182    0.0    O     = 1.00
  16 0.516   0.25    0.306    0.0    O     = 1.00
  17 0.631   0.25    0.1      0.0    O     = 1.00
  18 0.078   0.25    0.422    0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7592     0.75       0.1529
     2       2     0.6048     0.75       0.4276
     3       3     0.341      0.75       0.0508
     4       4     0.68       0.25       0.2751
     5       5     0.1837     0.75       0.317 
     6       6     0.0        0.0        0.0   
     7       7     0.0        0.0        0.5   
     8       8     0.2913     0.25       0.2237
     9       9     0.2354     0.998      0.0455
    10      10     0.3037     0.985      0.3532
    11      11     0.7911     0.014      0.3439
    12      12     0.053      0.25       0.135 
    13      13     0.039      0.75       0.142 
    14      14     0.063      0.75       0.404 
    15      15     0.516      0.75       0.182 
    16      16     0.516      0.25       0.306 
    17      17     0.631      0.25       0.1   
    18      18     0.078      0.25       0.422 
    19       1     0.2408     0.25       0.8471
    20       2     0.3952     0.25       0.5724
    21       3     0.659      0.25       0.9492
    22       4     0.32       0.75       0.7249
    23       5     0.8163     0.25       0.683 
    24       6     0.0        0.5        0.0   
    25       7     0.0        0.5        0.5   
    26       8     0.7087     0.75       0.7763
    27       9     0.7646     0.498      0.9545
    28      10     0.6963     0.485      0.6468
    29      11     0.2089     0.514      0.6561
    30      12     0.947      0.75       0.865 
    31      13     0.961      0.25       0.858 
    32      14     0.937      0.25       0.596 
    33      15     0.484      0.25       0.818 
    34      16     0.484      0.75       0.694 
    35      17     0.369      0.75       0.9   
    36      18     0.922      0.75       0.578 
    37       9     0.2354     0.502      0.0455
    38      10     0.3037     0.515      0.3532
    39      11     0.7911     0.486      0.3439
    40       9     0.7646     0.002      0.9545
    41      10     0.6963     0.015      0.6468
    42      11     0.2089     0.986      0.6561


X-ray density (g/cm cub.)   =      3.65

MU (1/cm) =     304.746    Mass attenuation coefficient (cm**2/g) =     83.588

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

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

    1    Ca                  2.88         7
                                                 2.3226      11
                                                 2.5088      13
                                                 2.7758      14
                                                 2.278       15
                                                 2.4403       9
                                                 2.3226      11
                                                 2.4403       9
    2    Ca                  2.88         8
                                                 2.7507      10
                                                 2.5852      11
                                                 2.2357      15
                                                 2.467       10
                                                 2.5408      18
                                                 2.7507      10
                                                 2.5852      11
                                                 2.467       10
    3    Si                  2.1          4
                                                 1.6435       9
                                                 1.5372      15
                                                 1.6279      17
                                                 1.6435       9
    4    Si                  2.1          4
                                                 1.5981      11
                                                 1.5986      16
                                                 1.6139      17
                                                 1.5981      11
    5    Si                  2.1          4
                                                 1.6138      10
                                                 1.6663      13
                                                 1.6345      14
                                                 1.6138      10
    6    Al                  2.316        6
                                                 1.9201       9
                                                 1.8464      12
                                                 1.9039      13
                                                 1.8464      12
                                                 1.9039      13
                                                 1.9201       9
    7    Al                  2.316        6
                                                 1.8344      11
                                                 1.8949      14
                                                 1.8558      18
                                                 1.8949      14
                                                 1.8558      18
                                                 1.8344      11
    8    Fe                  2.592        6
                                                 2.146        9
                                                 1.9265      10
                                                 1.8944      12
                                                 1.7864      16
                                                 2.146        9
                                                 1.9265      10
    9    O                   3.264       10
                                                 2.8718      10
                                                 2.557       12
                                                 2.686       13
                                                 2.6363      15
                                                 3.0522      16
                                                 2.7665      12
                                                 2.7218      13
                                                 2.6142      17
                                                 2.7851       9
                                                 2.7409       9
   10    O                   3.264        8
                                                 2.8718       9
                                                 2.7662      12
                                                 2.7131      13
                                                 2.7097      14
                                                 2.5699      16
                                                 2.7789      18
                                                 2.9288      10
                                                 2.5972      10
   11    O                   3.264        9
                                                 2.6415      14
                                                 2.6931      15
                                                 2.6291      16
                                                 2.5871      17
                                                 2.644       18
                                                 2.6332      14
                                                 2.5743      18
                                                 2.6083      11
                                                 2.9177      11
   12    O                   3.264       10
                                                 2.557        9
                                                 2.7662      10
                                                 2.768       13
                                                 2.768       13
                                                 2.782       18
                                                 2.7665       9
                                                 2.5311      13
                                                 2.557        9
                                                 2.7662      10
                                                 2.7665       9
   13    O                   3.264       10
                                                 2.686        9
                                                 2.7131      10
                                                 2.768       12
                                                 2.768       12
                                                 2.536       14
                                                 2.7218       9
                                                 2.5311      12
                                                 2.686        9
                                                 2.7131      10
                                                 2.7218       9
   14    O                   3.264       10
                                                 2.7097      10
                                                 2.6415      11
                                                 2.536       13
                                                 2.7683      18
                                                 2.7683      18
                                                 2.6332      11
                                                 2.5309      18
                                                 2.7097      10
                                                 2.6415      11
                                                 2.6332      11
   15    O                   3.264        9
                                                 2.6363       9
                                                 2.6931      11
                                                 3.0283      16
                                                 3.0283      16
                                                 3.1681      17
                                                 3.1681      17
                                                 2.55        17
                                                 2.6363       9
                                                 2.6931      11
   16    O                   3.264        9
                                                 3.0522       9
                                                 2.5699      10
                                                 2.6291      11
                                                 3.0283      15
                                                 3.0283      15
                                                 2.6538      17
                                                 3.0522       9
                                                 2.5699      10
                                                 2.6291      11
   17    O                   3.264        8
                                                 2.5871      11
                                                 3.1681      15
                                                 3.1681      15
                                                 2.6538      16
                                                 2.6142       9
                                                 2.55        15
                                                 2.5871      11
                                                 2.6142       9
   18    O                   3.264       10
                                                 2.7789      10
                                                 2.644       11
                                                 2.782       12
                                                 2.7683      14
                                                 2.7683      14
                                                 2.5743      11
                                                 2.5309      14
                                                 2.7789      10
                                                 2.644       11
                                                 2.5743      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  4.889   9.779   0.055  272.32    2        6.7       12.8
    2   1   0   0  5.56   11.121   0.063  210.05    2       11.0       26.5
    3   1   0  -1  5.621  11.243   0.064  205.48    2       20.7       91.7
    4   1   0   1  8.858  17.716   0.1     81.41    2       20.1       33.9
    5   1   0  -2  8.974  17.948   0.101   79.27    2       60.8      303.9
    6   0   1   1  9.403  18.807   0.106   71.99    4        1.1        0.2
    7   1   1   0  9.774  19.548   0.11    66.48    4       21.0       61.1
    8   1   1  -1  9.809  19.618   0.111   65.99    4       18.6       47.1
    9   0   0   2  9.815  19.63    0.111   65.91    2        9.8        6.5
   10   2   0  -1 10.091  20.183   0.114   62.23    2        3.9        1.0
   11   2   0   0 11.174  22.348   0.126   50.36    2       65.8      226.4
   12   2   0  -2 11.298  22.595   0.127   49.22    2       62.5      199.4
   13   1   1   1 11.988  23.976   0.135   43.48    4       25.7       59.6
   14   1   1  -2 12.075  24.15    0.136   42.83    4       21.1       39.5
   15   0   1   2 12.721  25.442   0.143   38.38    4        0.8        0.1
   16   2   1  -1 12.938  25.877   0.145   37.04    4       71.8      396.4
   17   1   0   2 13.254  26.509   0.149   35.2     2       49.8       90.6
   18   1   0  -3 13.386  26.772   0.15    34.47    2       15.6        8.7
   19   2   1   0 13.811  27.621   0.155   32.26    4       10.5        7.3
   20   2   1  -2 13.912  27.824   0.156   31.76    4       10.1        6.7
   21   2   0   1 14.05   28.1     0.158   31.1     2       57.6      106.9
   22   2   0  -3 14.249  28.499   0.16    30.18    2       11.1        3.8
   23   0   0   3 14.815  29.63    0.166   27.77    2       25.8       19.2
   24   3   0  -1 15.407  30.815   0.172   25.53    2       15.3        6.2
   25   3   0  -2 15.476  30.953   0.173   25.29    2       67.5      119.5
   26   1   1   2 15.564  31.129   0.174   24.98    4       17.6       16.1
   27   1   1  -3 15.678  31.356   0.175   24.59    4      142.6     1037.4
   28   0   2   0 16.188  32.375   0.181   22.95    2      136.0      440.4
   29   2   1   1 16.257  32.514   0.182   22.74    4       41.1       79.5
   30   2   1  -3 16.432  32.863   0.184   22.22    4       28.6       37.6
   31   3   0   0 16.899  33.798   0.189   20.91    2       97.0      204.2
   32   0   1   3 16.932  33.863   0.189   20.82    4       89.9      348.8
   33   0   2   1 16.949  33.898   0.189   20.78    4       14.1        8.5
   34   3   0  -3 17.089  34.178   0.191   20.41    2       10.4        2.3
   35   1   2   0 17.166  34.332   0.192   20.21    4       69.3      201.6
   36   1   2  -1 17.187  34.374   0.192   20.15    4        0.2        0.0
   37   3   1  -1 17.459  34.919   0.195   19.48    4      110.4      492.7
   38   3   1  -2 17.521  35.042   0.195   19.33    4       23.1       21.4
   39   2   0   2 17.937  35.875   0.2     18.36    2      102.3      199.4
   40   1   0   3 18.045  36.089   0.201   18.12    2        1.6        0.1
   41   2   0  -4 18.178  36.355   0.203   17.83    2       14.6        3.9
   42   1   0  -4 18.184  36.369   0.203   17.82    2       39.2       28.3
   43   1   2   1 18.571  37.143   0.207   17.01    4       11.5        4.6
   44   1   2  -2 18.63   37.26    0.207   16.89    4       52.3       96.0
   45   3   1   0 18.807  37.614   0.209   16.54    4       21.7       16.2
   46   3   1  -3 18.98   37.96    0.211   16.21    4       99.8      334.6
   47   0   2   2 19.073  38.146   0.212   16.04    4       90.1      270.2
   48   2   2  -1 19.225  38.45    0.214   15.76    4       31.9       33.2
   49   3   0   1 19.637  39.275   0.218   15.03    2       19.6        6.0
   50   2   1   2 19.758  39.517   0.219   14.83    4       20.7       13.1
   51   2   2   0 19.848  39.696   0.22    14.68    4       15.1        7.0
   52   1   1   3 19.857  39.714   0.22    14.67    4       42.5       55.0
   53   3   0  -4 19.915  39.831   0.221   14.57    2       33.0       16.5
   54   2   2  -2 19.922  39.843   0.221   14.56    4       57.3       99.3
   55   0   0   4 19.934  39.868   0.221   14.54    2        9.4        1.3
   56   2   1  -4 19.98   39.96    0.222   14.47    4       42.1       53.1
   57   1   1  -4 19.986  39.972   0.222   14.46    4       36.5       40.0
   58   4   0  -2 20.514  41.028   0.227   13.64    2       27.4       10.6
   59   4   0  -1 21.07   42.14    0.233   12.85    2      110.5      162.8
   60   1   2   2 21.159  42.317   0.234   12.73    4       11.1        3.3
   61   4   0  -3 21.211  42.421   0.235   12.66    2       33.1       14.4
   62   1   2  -3 21.246  42.492   0.235   12.61    4       51.6       69.7
   63   3   1   1 21.335  42.671   0.236   12.49    4        1.1        0.0
   64   3   1  -4 21.595  43.191   0.239   12.16    4       10.5        2.8
   65   0   1   4 21.613  43.226   0.239   12.14    4       22.0       12.2
   66   2   2   1 21.695  43.391   0.24    12.03    4       82.7      170.7
   67   2   2  -3 21.833  43.665   0.241   11.86    4       89.4      196.9
   68   4   1  -2 22.157  44.314   0.245   11.48    4       13.9        4.6
   69   0   2   3 22.228  44.456   0.246   11.4     4       81.1      155.6
   70   2   0   3 22.406  44.813   0.247   11.19    2       73.8       63.2
   71   3   2  -1 22.65   45.301   0.25    10.92    4       30.9       21.6
   72   2   0  -5 22.673  45.346   0.25    10.9     2       20.0        4.5
   73   4   1  -1 22.68   45.361   0.25    10.89    4        6.1        0.8
   74   3   2  -2 22.7    45.4     0.25    10.87    4       23.9       12.9
   75   4   0   0 22.804  45.608   0.252   10.76    2       82.0       75.1
   76   4   1  -3 22.813  45.625   0.252   10.75    4        1.8        0.1
   77   4   0  -4 23.067  46.134   0.254   10.48    2       28.4        8.8
   78   1   0   4 23.095  46.19    0.255   10.45    2       32.7       11.6
   79   1   0  -5 23.242  46.483   0.256   10.3     2       44.4       21.1
   80   3   0   2 23.257  46.514   0.256   10.29    2       20.7        4.6
   81   3   0  -5 23.597  47.193   0.26     9.95    2       54.0       30.1
   82   3   2   0 23.751  47.502   0.261    9.81    4       21.7        9.6
   83   3   2  -3 23.895  47.79    0.263    9.68    4       23.4       11.0
   84   2   1   3 23.945  47.89    0.263    9.63    4       46.4       42.9
   85   2   1  -5 24.199  48.397   0.266    9.4     4        8.3        1.3
   86   4   1   0 24.323  48.647   0.267    9.29    4        3.8        0.3
   87   2   2   2 24.546  49.091   0.27     9.1     4       79.9      120.6
   88   4   1  -4 24.574  49.148   0.27     9.08    4        3.8        0.3
   89   1   1   4 24.6    49.2     0.27     9.06    4       43.1       34.8
   90   1   2   3 24.629  49.258   0.271    9.03    4       33.9       21.5
   91   2   2  -4 24.732  49.465   0.272    8.95    4       90.5      152.2
   92   1   2  -4 24.738  49.475   0.272    8.94    4       61.5       70.2
   93   1   1  -5 24.74   49.48    0.272    8.94    4       49.2       44.9
   94   3   1   2 24.755  49.51    0.272    8.93    4       49.3       45.1
   95   3   1  -5 25.079  50.158   0.275    8.67    4        3.2        0.2
   96   0   0   5 25.225  50.45    0.277    8.55    2       15.1        2.0
   97   0   3   1 25.263  50.526   0.277    8.52    4        0.9        0.0
   98   1   3   0 25.42   50.841   0.279    8.41    4       30.5       16.2
   99   1   3  -1 25.435  50.871   0.279    8.39    4       10.2        1.8
  100   4   0   1 25.528  51.056   0.28     8.32    2       24.0        5.0
  101   3   2   1 25.89   51.78    0.283    8.06    4       28.2       13.3
  102   4   0  -5 25.89   51.781   0.283    8.06    2        8.5        0.6
  103   5   0  -2 26.074  52.148   0.285    7.93    2       82.5       56.0
  104   3   2  -4 26.115  52.229   0.286    7.9     4        3.6        0.2
  105   0   2   4 26.13   52.26    0.286    7.89    4       29.0       13.8
  106   5   0  -3 26.149  52.297   0.286    7.88    2       22.1        4.0
  107   1   3   1 26.463  52.927   0.289    7.67    4       27.0       11.6
  108   1   3  -2 26.508  53.016   0.29     7.64    4       21.4        7.3
  109   4   2  -2 26.603  53.206   0.291    7.58    4       37.8       22.5
  110   0   1   5 26.64   53.281   0.291    7.55    4       39.0       23.8
  111   0   3   2 26.846  53.691   0.293    7.42    4        1.0        0.0
  112   4   1   1 26.932  53.864   0.294    7.37    4        7.1        0.8
  113   2   3  -1 26.962  53.924   0.294    7.35    4       54.1       44.7
  114   5   0  -1 27.041  54.082   0.295    7.3     2        7.1        0.4
  115   4   2  -1 27.061  54.122   0.295    7.29    4       29.8       13.4
  116   4   2  -3 27.177  54.355   0.296    7.22    4       25.8       10.0
  117   5   0  -4 27.259  54.518   0.297    7.17    2       25.6        4.9
  118   4   1  -5 27.281  54.563   0.298    7.16    4       61.5       56.2
  119   2   0   4 27.293  54.587   0.298    7.15    2       37.3       10.3
  120   2   3   0 27.445  54.89    0.299    7.06    4       10.4        1.6
  121   5   1  -2 27.458  54.917   0.299    7.05    4       48.1       33.8
  122   2   3  -2 27.503  55.005   0.3      7.03    4        5.9        0.5
  123   3   0   3 27.514  55.028   0.3      7.02    2       27.6        5.6
  124   5   1  -3 27.531  55.061   0.3      7.01    4       39.6       22.8
  125   2   0  -6 27.582  55.164   0.301    6.98    2       64.1       29.8
  126   3   0  -6 27.901  55.802   0.304    6.8     2       75.7       40.4
  127   2   2   3 28.18   56.36    0.307    6.65    4        5.3        0.4
  128   5   1  -1 28.393  56.786   0.309    6.54    4      107.9      157.9
  129   1   0   5 28.406  56.812   0.309    6.53    2       49.0       16.3
  130   2   2  -5 28.406  56.812   0.309    6.53    4       22.9        7.1
  131   1   3   2 28.483  56.967   0.31     6.49    4       13.4        2.4
  132   4   2   0 28.518  57.035   0.31     6.47    4       46.2       28.6
  133   1   3  -3 28.554  57.107   0.31     6.45    4       99.7      132.9
  134   1   0  -6 28.561  57.122   0.31     6.45    2      134.1      120.4
  135   5   1  -4 28.604  57.208   0.311    6.43    4       24.5        8.0
  136   2   1   4 28.637  57.275   0.311    6.41    4       36.4       17.6
  137   4   2  -4 28.742  57.484   0.312    6.36    4      107.9      153.5
  138   1   2   4 28.766  57.532   0.312    6.35    4       73.0       70.1
  139   3   1   3 28.851  57.703   0.313    6.3     4       25.4        8.4
  140   1   2  -5 28.892  57.783   0.314    6.28    4        8.0        0.8
  141   3   2   2 28.905  57.81    0.314    6.28    4       61.0       48.5
  142   2   3   1 28.917  57.833   0.314    6.27    4       33.0       14.2
  143   2   1  -6 28.917  57.834   0.314    6.27    4       36.5       17.3
  144   5   0   0 28.978  57.956   0.314    6.24    2       18.5        2.2
  145   2   3  -3 29.028  58.056   0.315    6.22    4       22.0        6.3
  146   4   0   2 29.048  58.096   0.315    6.21    2       14.2        1.3
  147   3   2  -5 29.197  58.393   0.317    6.14    4       16.5        3.5
  148   3   1  -6 29.227  58.453   0.317    6.12    4        7.8        0.8
  149   5   0  -5 29.325  58.65    0.318    6.08    2       14.7        1.4
  150   0   3   3 29.351  58.702   0.318    6.06    4       70.6       62.7
  151   4   0  -6 29.491  58.981   0.32     6.0     2      144.2      129.4
  152   3   3  -1 29.699  59.397   0.322    5.91    4       91.3      102.2
  153   1   1   5 29.717  59.434   0.322    5.9     4       81.1       80.4
  154   3   3  -2 29.74   59.479   0.322    5.89    4       32.0       12.5
  155   1   1  -6 29.868  59.735   0.323    5.83    4       19.8        4.8
  156   5   1   0 30.274  60.547   0.327    5.66    4       64.2       48.3
  157   4   1   2 30.342  60.683   0.328    5.63    4       76.8       68.8
  158   5   1  -5 30.611  61.223   0.331    5.52    4       19.9        4.5
  159   0   2   5 30.614  61.229   0.331    5.52    4       11.1        1.4
  160   3   3   0 30.616  61.232   0.331    5.52    4       24.1        6.6
  161   3   3  -3 30.737  61.474   0.332    5.47    4       73.1       60.6
  162   0   0   6 30.758  61.515   0.332    5.46    2       31.9        5.8
  163   4   1  -6 30.773  61.546   0.332    5.46    4        6.7        0.5
  164   4   2   1 30.882  61.763   0.333    5.41    4        8.1        0.7
  165   4   2  -5 31.202  62.404   0.336    5.29    4       57.2       35.9
  166   2   3   2 31.288  62.577   0.337    5.26    4       17.4        3.3
  167   1   3   3 31.359  62.719   0.338    5.23    4       24.4        6.4
  168   5   2  -2 31.365  62.73    0.338    5.23    4       21.5        5.0
  169   5   2  -3 31.431  62.863   0.338    5.21    4        9.1        0.9
  170   2   3  -4 31.448  62.896   0.339    5.2     4       29.2        9.2
  171   1   3  -4 31.452  62.904   0.339    5.2     4       19.0        3.9
  172   6   0  -3 31.713  63.425   0.341    5.11    2       52.0       14.3
  173   5   0   1 31.774  63.548   0.342    5.08    2       12.0        0.8
  174   0   1   6 32.01   64.019   0.344    5.0     4        4.4        0.2
  175   6   0  -2 32.098  64.195   0.345    4.97    2       14.3        1.0
  176   5   2  -1 32.229  64.457   0.346    4.93    4       20.9        4.5
  177   5   0  -6 32.234  64.467   0.346    4.93    2       45.8       10.7
  178   6   0  -4 32.255  64.509   0.346    4.92    2       94.3       45.4
  179   3   0   4 32.294  64.589   0.347    4.91    2       54.0       14.8
  180   5   2  -4 32.425  64.849   0.348    4.87    4      109.8      121.7
  181   3   3   1 32.444  64.889   0.348    4.86    4       10.2        1.0
  182   2   2   4 32.455  64.911   0.348    4.86    4       65.8       43.5
  183   2   0   5 32.568  65.136   0.349    4.82    2        9.1        0.4
  184   3   3  -4 32.64   65.279   0.35     4.8     4        6.4        0.4
  185   0   3   4 32.653  65.305   0.35     4.79    4       13.9        1.9
  186   3   2   3 32.654  65.308   0.35     4.79    4       43.9       19.2
  187   2   2  -6 32.715  65.431   0.351    4.77    4       70.3       48.9
  188   3   0  -7 32.724  65.448   0.351    4.77    2       12.2        0.7
  189   2   0  -7 32.879  65.759   0.352    4.72    2       32.3        5.1
  190   6   1  -3 32.945  65.889   0.353    4.7     4        8.0        0.6
  191   3   2  -6 33.004  66.008   0.354    4.68    4       98.2       93.6
  192   5   1   1 33.005  66.01    0.354    4.68    4       29.3        8.3
  193   4   3  -2 33.066  66.131   0.354    4.66    4        6.7        0.4
  194   4   0   3 33.23   66.461   0.356    4.62    2       55.5       14.8
  195   6   1  -2 33.322  66.644   0.357    4.59    4       31.4        9.4
  196   6   0  -1 33.392  66.785   0.357    4.57    2       21.4        2.2
  197   5   1  -6 33.455  66.911   0.358    4.55    4       15.0        2.1
  198   1   2   5 33.462  66.924   0.358    4.55    4       14.8        2.1
  199   4   3  -1 33.468  66.936   0.358    4.55    4        6.6        0.4
  200   6   1  -4 33.476  66.952   0.358    4.54    4       14.4        2.0
  201   3   1   4 33.515  67.03    0.358    4.53    4        5.8        0.3
  202   4   3  -3 33.57   67.141   0.359    4.52    4        1.0        0.0
  203   1   2  -6 33.603  67.206   0.359    4.51    4       29.8        8.3
  204   6   0  -5 33.7    67.399   0.36     4.48    2       44.1        9.0
  205   4   0  -7 33.743  67.486   0.361    4.47    2       22.9        2.4
  206   2   1   5 33.783  67.567   0.361    4.46    4       75.3       52.4
  207   0   4   0 33.888  67.776   0.362    4.43    2      234.3      252.1
  208   3   1  -7 33.937  67.873   0.362    4.42    4       40.7       15.2
  209   5   2   0 33.984  67.968   0.363    4.4     4       52.2       24.9
  210   1   0   6 34.036  68.072   0.363    4.39    2       20.0        1.8
  211   4   2   2 34.048  68.096   0.363    4.39    4      139.7      177.7
  212   2   1  -7 34.089  68.178   0.364    4.37    4       42.9       16.7
  213   1   0  -7 34.201  68.402   0.365    4.35    2       29.9        4.0
  214   5   2  -5 34.302  68.603   0.366    4.32    4       15.0        2.0
  215   0   4   1 34.336  68.672   0.366    4.31    4        5.0        0.2
  216   4   1   3 34.434  68.868   0.367    4.28    4        0.7        0.0
  217   4   2  -6 34.454  68.907   0.367    4.28    4       42.8       16.3
  218   2   3   3 34.46   68.92    0.367    4.28    4       37.4       12.4
  219   1   4   0 34.467  68.933   0.367    4.28    4        5.3        0.3
  220   1   4  -1 34.479  68.958   0.367    4.27    4       11.7        1.2
  221   6   1  -1 34.593  69.186   0.369    4.24    4       39.0       13.4
  222   2   3  -5 34.662  69.324   0.369    4.23    4        9.3        0.8
  223   4   3   0 34.762  69.524   0.37     4.2     4        3.3        0.1
  224   6   1  -5 34.896  69.791   0.371    4.17    4        5.6        0.3
  225   4   1  -7 34.938  69.877   0.372    4.16    4       34.4       10.2
  226   4   3  -4 34.963  69.926   0.372    4.15    4        1.5        0.0
  227   1   3   4 34.984  69.969   0.372    4.15    4       43.8       16.5
  228   1   3  -5 35.097  70.195   0.373    4.12    4       37.4       12.0
  229   3   3   2 35.109  70.218   0.373    4.12    4       30.6        8.0
  230   1   1   6 35.226  70.453   0.374    4.09    4        7.1        0.4
  231   5   0   2 35.327  70.654   0.375    4.07    2       78.0       25.7
  232   1   4   1 35.341  70.682   0.375    4.06    4        9.8        0.8
  233   3   3  -5 35.372  70.744   0.376    4.06    4       10.5        0.9
  234   1   4  -2 35.378  70.757   0.376    4.06    4       33.9        9.6
  235   1   1  -7 35.389  70.778   0.376    4.05    4        6.5        0.4
  236   6   0   0 35.547  71.094   0.377    4.02    2       28.4        3.4
  237   0   2   6 35.624  71.247   0.378    4.0     4       67.8       38.2
  238   0   4   2 35.665  71.33    0.378    3.99    4        3.7        0.1
  239   2   4  -1 35.764  71.529   0.379    3.97    4        3.3        0.1
  240   5   0  -7 35.888  71.776   0.381    3.94    2       10.5        0.4
  241   6   0  -6 35.995  71.99    0.381    3.92    2       11.2        0.5
  242   2   4   0 36.177  72.355   0.383    3.88    4       37.5       11.3
  243   2   4  -2 36.227  72.454   0.384    3.87    4       35.9       10.4
  244   5   1   2 36.499  72.998   0.386    3.82    4       12.1        1.2
  245   6   2  -3 36.513  73.027   0.386    3.81    4       55.9       24.7
  246   5   2   1 36.571  73.142   0.387    3.8     4       25.4        5.1
  247   0   0   7 36.63   73.259   0.387    3.79    2       16.3        1.0
  248   0   3   5 36.66   73.321   0.388    3.78    4       32.0        8.0
  249   6   1   0 36.716  73.432   0.388    3.77    4       20.4        3.3
  250   6   2  -2 36.874  73.748   0.39     3.74    4       74.8       43.5
  251   4   3   1 36.905  73.81    0.39     3.74    4        7.8        0.5
  252   5   2  -6 37.001  74.003   0.391    3.72    4       34.1        9.0
  253   6   2  -4 37.021  74.043   0.391    3.72    4       67.6       35.2
  254   5   1  -7 37.053  74.105   0.391    3.71    4        3.6        0.1
  255   3   2   4 37.059  74.117   0.391    3.71    4       14.2        1.5
  256   1   4   2 37.075  74.151   0.391    3.71    4       29.9        6.9
  257   1   4  -3 37.137  74.274   0.392    3.69    4       10.8        0.9
  258   6   1  -6 37.158  74.316   0.392    3.69    4       36.0        9.9
  259   4   3  -5 37.2    74.399   0.392    3.68    4       51.7       20.4
  260   2   2   5 37.316  74.631   0.393    3.66    4       26.0        5.1
  261   5   3  -2 37.35   74.7     0.394    3.66    4       48.9       18.2
  262   5   3  -3 37.411  74.822   0.394    3.64    4       28.2        6.0
  263   2   4   1 37.454  74.909   0.395    3.64    4       38.1       11.0
  264   3   2  -7 37.463  74.925   0.395    3.64    4        7.0        0.4
  265   2   4  -3 37.552  75.104   0.396    3.62    4        2.7        0.1
  266   3   0   5 37.584  75.168   0.396    3.61    2       73.9       20.5
  267   2   2  -7 37.609  75.218   0.396    3.61    4       13.7        1.4
  268   0   1   7 37.785  75.571   0.398    3.58    4       56.4       23.6
  269   0   4   3 37.836  75.672   0.398    3.57    4       11.7        1.0
  270   7   0  -3 37.891  75.782   0.399    3.56    2       25.8        2.5
  271   4   2   3 37.94   75.881   0.399    3.55    4       78.1       45.0
  272   7   0  -4 37.976  75.952   0.399    3.55    2       36.3        4.9
  273   4   0   4 38.021  76.043   0.4      3.54    2       64.5       15.3
  274   3   0  -8 38.059  76.118   0.4      3.53    2       96.2       33.9
  275   6   2  -1 38.094  76.187   0.4      3.53    4       41.3       12.5
  276   3   4  -1 38.143  76.287   0.401    3.52    4        9.4        0.6
  277   5   3  -1 38.149  76.297   0.401    3.52    4       98.5       70.8
  278   3   4  -2 38.18   76.36    0.401    3.51    4       49.4       17.8
  279   2   0   6 38.281  76.561   0.402    3.5     2       68.5       17.0
  280   5   3  -4 38.331  76.662   0.403    3.49    4       14.5        1.5
  281   2   3   4 38.359  76.719   0.403    3.49    4       32.2        7.5
  282   6   2  -5 38.385  76.77    0.403    3.48    4       97.2       68.2
  283   4   2  -7 38.426  76.852   0.403    3.48    4        3.2        0.1
  284   6   0   1 38.505  77.01    0.404    3.46    2       26.9        2.6
  285   3   3   3 38.545  77.089   0.404    3.46    4       26.3        4.9
  286   2   3  -6 38.602  77.203   0.405    3.45    4       30.0        6.4
  287   4   0  -8 38.604  77.207   0.405    3.45    2       22.9        1.9
  288   2   0  -8 38.62   77.24    0.405    3.45    2       65.3       15.3
  289   7   0  -2 38.662  77.324   0.406    3.44    2        1.5        0.0
  290   1   2   6 38.704  77.408   0.406    3.43    4       41.7       12.4
  291   3   1   5 38.73   77.459   0.406    3.43    4       12.9        1.2
  292   1   2  -7 38.861  77.722   0.407    3.41    4       12.5        1.1
  293   3   3  -6 38.871  77.742   0.407    3.41    4       12.7        1.1
  294   7   0  -5 38.916  77.832   0.408    3.4     2        8.9        0.3
  295   3   4   0 38.961  77.922   0.408    3.4     4       66.6       31.3
  296   7   1  -3 39.034  78.068   0.409    3.38    4        5.9        0.2
  297   3   4  -3 39.07   78.139   0.409    3.38    4        6.0        0.2
  298   6   0  -7 39.085  78.17    0.409    3.38    2       13.8        0.7
  299   7   1  -4 39.118  78.237   0.41     3.37    4       25.6        4.6
  300   4   1   4 39.163  78.326   0.41     3.37    4       16.7        2.0
  301   3   1  -8 39.2    78.401   0.41     3.36    4        7.6        0.4
  302   1   3   5 39.3    78.601   0.411    3.35    4       71.7       35.7
  303   2   1   6 39.42   78.84    0.412    3.33    4       28.7        5.7
  304   1   3  -6 39.433  78.865   0.412    3.33    4        8.8        0.5
  305   2   4   2 39.566  79.133   0.413    3.31    4       81.5       45.6
  306   5   0   3 39.581  79.162   0.414    3.31    2        4.5        0.1
  307   1   4   3 39.63   79.261   0.414    3.3     4        2.8        0.1
  308   6   1   1 39.643  79.286   0.414    3.3     4        3.3        0.1
  309   2   4  -4 39.71   79.421   0.415    3.29    4        4.0        0.1
  310   1   4  -4 39.714  79.429   0.415    3.29    4       32.9        7.4
  311   4   1  -8 39.74   79.481   0.415    3.29    4       18.4        2.3
  312   2   1  -8 39.757  79.513   0.415    3.29    4       10.9        0.8
  313   5   3   0 39.791  79.582   0.415    3.28    4       56.7       21.9
  314   7   1  -2 39.798  79.597   0.415    3.28    4       15.1        1.5
  315   4   3   2 39.851  79.703   0.416    3.27    4       62.5       26.6
  316   5   2   2 39.937  79.873   0.417    3.26    4       32.1        7.0
  317   7   1  -5 40.05   80.1     0.418    3.25    4        4.1        0.1
  318   5   3  -5 40.091  80.182   0.418    3.24    4        7.3        0.4
  319   1   0   7 40.093  80.187   0.418    3.24    2        7.6        0.2
  320   6   2   0 40.148  80.295   0.419    3.24    4       16.5        1.8
  321   6   1  -7 40.218  80.436   0.419    3.23    4       76.6       39.3
  322   4   3  -6 40.235  80.469   0.419    3.23    4        5.3        0.2
  323   5   0  -8 40.241  80.481   0.419    3.23    2        2.0        0.0
  324   1   0  -8 40.273  80.546   0.42     3.22    2       14.4        0.7
  325   7   0  -1 40.275  80.549   0.42     3.22    2       20.1        1.3
  326   5   2  -7 40.475  80.95    0.421    3.2     4       24.3        3.9
  327   6   2  -6 40.578  81.156   0.422    3.19    4       42.3       11.9
  328   3   4   1 40.618  81.237   0.423    3.18    4       16.0        1.7
  329   7   0  -6 40.693  81.386   0.423    3.17    2        2.4        0.0
  330   5   1   3 40.711  81.421   0.423    3.17    4        9.3        0.6
  331   3   4  -4 40.797  81.595   0.424    3.16    4       35.9        8.4
  332   0   4   4 40.809  81.619   0.424    3.16    4        7.1        0.3
  333   4   4  -2 41.189  82.379   0.427    3.12    4        6.4        0.3
  334   0   2   7 41.19   82.38    0.427    3.12    4       66.4       28.5
  335   1   1   7 41.22   82.439   0.428    3.11    4       16.8        1.8
  336   0   3   6 41.346  82.693   0.429    3.1     4        6.2        0.2
  337   5   1  -8 41.366  82.732   0.429    3.1     4        3.0        0.1
  338   1   1  -8 41.398  82.796   0.429    3.1     4        3.0        0.1
  339   7   1  -1 41.4    82.8     0.429    3.1     4       14.3        1.3
  340   4   4  -1 41.561  83.123   0.431    3.08    4       62.1       24.7
  341   4   4  -3 41.657  83.313   0.431    3.07    4       17.0        1.8
  342   7   1  -6 41.816  83.631   0.433    3.06    4       39.8       10.0
  343   3   2   5 42.115  84.229   0.435    3.03    4       39.3        9.7
  344   6   3  -3 42.199  84.398   0.436    3.02    4        6.2        0.2
  345   6   0   2 42.232  84.464   0.436    3.02    2       18.4        1.1
  346   5   3   1 42.254  84.508   0.436    3.02    4       32.1        6.5
  347   7   2  -3 42.413  84.827   0.438    3.0     4       48.4       14.6
  348   2   4   3 42.486  84.971   0.438    3.0     4       38.9        9.4
  349   7   2  -4 42.496  84.992   0.439    2.99    4        3.6        0.1
  350   4   2   4 42.54   85.08    0.439    2.99    4       28.4        5.0
  351   6   3  -2 42.546  85.091   0.439    2.99    4       28.0        4.9
  352   3   2  -8 42.577  85.154   0.439    2.99    4       45.5       12.8
  353   5   3  -6 42.669  85.337   0.44     2.98    4        8.5        0.4
  354   2   4  -5 42.675  85.35    0.44     2.98    4       11.2        0.8
  355   6   3  -4 42.688  85.376   0.44     2.98    4       14.2        1.2
  356   7   0   0 42.708  85.417   0.44     2.98    2        7.1        0.2
  357   3   3   4 42.724  85.448   0.44     2.98    4        3.6        0.1
  358   4   4   0 42.769  85.538   0.441    2.97    4       51.3       16.3
  359   2   2   6 42.793  85.586   0.441    2.97    4       29.1        5.2
  360   6   0  -8 42.942  85.885   0.442    2.96    2       76.5       18.0
  361   4   4  -4 42.958  85.917   0.442    2.96    4       19.4        2.3
  362   2   3   5 42.972  85.944   0.442    2.96    4       65.9       26.7
  363   1   4   4 42.978  85.957   0.443    2.96    4       21.4        2.8
  364   0   0   8 42.99   85.981   0.443    2.95    2        8.4        0.2
  365   6   2   1 43.012  86.024   0.443    2.95    4       17.9        2.0
  366   1   4  -5 43.085  86.17    0.443    2.95    4       26.3        4.2
  367   3   4   2 43.096  86.192   0.443    2.95    4       12.5        1.0
  368   4   2  -8 43.108  86.216   0.444    2.95    4       24.8        3.7
  369   3   3  -7 43.114  86.228   0.444    2.95    4       37.4        8.5
  370   2   2  -8 43.124  86.248   0.444    2.94    4       23.2        3.3
  371   7   2  -2 43.165  86.331   0.444    2.94    4       23.8        3.4
  372   2   3  -7 43.256  86.512   0.445    2.93    4       38.1        8.9
  373   7   0  -7 43.288  86.576   0.445    2.93    2       15.2        0.7
  374   3   4  -5 43.344  86.689   0.446    2.93    4       34.1        7.1
  375   6   1   2 43.348  86.697   0.446    2.93    4       18.2        2.0
  376   7   2  -5 43.414  86.827   0.446    2.92    4       15.8        1.5
  377   4   0   5 43.453  86.907   0.446    2.92    2       11.3        0.4
  378   3   0   6 43.458  86.915   0.446    2.92    2        4.0        0.0
  379   4   3   3 43.577  87.155   0.447    2.91    4        1.6        0.0
  380   6   2  -7 43.58   87.159   0.447    2.91    4        6.9        0.3
  381   6   3  -1 43.726  87.453   0.449    2.9     4       34.8        7.3
  382   7   1   0 43.824  87.648   0.449    2.9     4       69.7       29.2
  383   3   0  -9 43.989  87.978   0.451    2.89    2       21.0        1.3
  384   6   3  -5 44.01   88.019   0.451    2.88    4        2.6        0.0
  385   4   3  -7 44.05   88.1     0.451    2.88    4       30.8        5.7
  386   6   1  -8 44.057  88.114   0.451    2.88    4       33.0        6.5
  387   5   2   3 44.066  88.133   0.451    2.88    4       10.9        0.7
  388   0   1   8 44.105  88.21    0.452    2.88    4       48.7       14.2
  389   4   0  -9 44.115  88.23    0.452    2.88    2        8.1        0.2
  390   1   3   6 44.321  88.642   0.454    2.86    4       11.3        0.8
  391   7   1  -7 44.402  88.805   0.454    2.86    4       63.0       23.6
  392   1   3  -7 44.474  88.949   0.455    2.86    4       11.2        0.7
  393   8   0  -4 44.498  88.995   0.455    2.85    2        9.5        0.3
  394   5   0   4 44.549  89.099   0.455    2.85    2        2.2        0.0
  395   2   0   7 44.562  89.124   0.455    2.85    2       49.0        7.1
  396   4   1   5 44.567  89.135   0.456    2.85    4       46.8       13.0
  397   1   2   7 44.57   89.141   0.456    2.85    4        1.8        0.0
  398   0   4   5 44.57   89.141   0.456    2.85    4        8.5        0.4
  399   3   1   6 44.572  89.143   0.456    2.85    4       30.6        5.5
  400   0   5   1 44.6    89.2     0.456    2.85    4        1.6        0.0
  401   5   2  -8 44.715  89.431   0.457    2.84    4       60.6       21.6
  402   1   5   0 44.722  89.443   0.457    2.84    4        2.3        0.0
  403   1   5  -1 44.733  89.467   0.457    2.84    4       11.4        0.8
  404   1   2  -8 44.747  89.495   0.457    2.84    4       52.4       16.2
  405   7   2  -1 44.749  89.498   0.457    2.84    4       25.4        3.8
  406   4   4   1 44.805  89.611   0.457    2.84    4        8.7        0.4
  407   8   0  -3 44.819  89.639   0.458    2.84    2       89.1       23.4
  408   2   0  -9 44.94   89.88    0.459    2.83    2       43.7        5.6


  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   4.889   9.779  9.03721       12.8      1.2      1.2     5.6
    2   1   0   0   5.56   11.121  7.9496        26.5      2.6      2.6     5.6
    3   1   0  -1   5.621  11.243  7.86382       91.7      8.8      9.0     5.6
    4   1   0   1   8.858  17.716  5.00218       33.9      3.3      3.3     5.6
    5   1   0  -2   8.974  17.948  4.93826      303.9     29.3     29.6     5.6
    6   1   1   0   9.774  19.548  4.53743       61.1      5.9      5.9     5.6
    7   1   1  -1   9.809  19.618  4.52131       53.7      5.2      5.2     5.6
    8   2   0   0  11.174  22.348  3.9748       226.4     21.8     22.0     5.6
    9   2   0  -2  11.298  22.595  3.93191      199.4     19.2     19.4     5.6
   10   1   1   1  11.988  23.976  3.70847       59.6      5.7      5.8     5.6
   11   1   1  -2  12.075  24.15   3.6822        39.5      3.8      3.8     5.6
   12   2   1  -1  12.938  25.877  3.44026      396.4     38.2     38.4     5.6
   13   1   0   2  13.254  26.509  3.35966       90.6      8.7      8.8     5.6
   14   2   0   1  14.05   28.1    3.17287      106.9     10.3     10.3     5.6
   15   0   0   3  14.815  29.63   3.0124        19.2      1.8      1.9     5.6
   16   3   0  -2  15.476  30.953  2.88666      119.5     11.5     11.5     5.6
   17   1   1   2  15.564  31.129  2.87074       16.1      1.5      1.5     5.6
   18   1   1  -3  15.678  31.356  2.85043     1037.4    100.0    100.0     5.6
   19   0   2   0  16.188  32.375  2.763        440.4     42.5     42.4     5.6
   20   2   1   1  16.257  32.514  2.75157       79.5      7.7      7.7     5.6
   21   2   1  -3  16.432  32.863  2.72309       37.6      3.6      3.6     5.6
   22   3   0   0  16.899  33.798  2.64987      204.2     19.7     19.6     5.7
   23   0   1   3  16.932  33.863  2.64493      357.3     34.4     34.4     5.7
   24   1   2   0  17.166  34.332  2.60986      201.6     19.4     19.4     5.7
   25   3   1  -1  17.459  34.919  2.56736      492.7     47.5     47.3     5.7
   26   3   1  -2  17.521  35.042  2.5586        21.4      2.1      2.1     5.7
   27   2   0   2  17.937  35.875  2.50109      199.4     19.2     19.1     5.7
   28   1   0  -4  18.184  36.369  2.46825       32.3      3.1      3.1     5.7
   29   1   2  -2  18.63   37.26   2.41124       96.0      9.3      9.2     5.7
   30   3   1   0  18.807  37.614  2.38936       16.2      1.6      1.6     5.7
   31   3   1  -3  18.98   37.96   2.36833      334.6     32.3     32.1     5.7
   32   0   2   2  19.073  38.146  2.35724      270.2     26.0     25.9     5.7
   33   2   2  -1  19.225  38.45   2.33932       33.2      3.2      3.2     5.7
   34   2   1   2  19.758  39.517  2.27857       13.1      1.3      1.3     5.7
   35   1   1   3  19.857  39.714  2.26769       62.0      6.0      5.9     5.7
   36   2   2  -2  19.922  39.843  2.26065      117.1     11.3     11.2     5.7
   37   2   1  -4  19.98   39.96   2.25433       93.1      9.0      8.9     5.7
   38   4   0  -2  20.514  41.028  2.19804       10.6      1.0      1.0     5.7
   39   4   0  -1  21.07   42.14   2.14257      162.8     15.7     15.5     5.7
   40   4   0  -3  21.211  42.421  2.12905       14.4      1.4      1.4     5.7
   41   1   2  -3  21.246  42.492  2.12564       69.7      6.7      6.7     5.7
   42   0   1   4  21.613  43.226  2.09127       15.0      1.4      1.4     5.7
   43   2   2   1  21.695  43.391  2.08368      170.7     16.5     16.3     5.7
   44   2   2  -3  21.833  43.665  2.07123      196.9     19.0     18.8     5.7
   45   0   2   3  22.228  44.456  2.03621      155.6     15.0     14.8     5.7
   46   2   0   3  22.406  44.813  2.02082       63.2      6.1      6.0     5.7
   47   3   2  -1  22.65   45.301  2.00017       26.2      2.5      2.5     5.7
   48   3   2  -2  22.7    45.4    1.99602       12.9      1.2      1.2     5.7
   49   4   0   0  22.804  45.608  1.9874        75.1      7.2      7.1     5.7
   50   1   0   4  23.095  46.19   1.96373       20.3      2.0      1.9     5.7
   51   1   0  -5  23.242  46.483  1.95201       25.6      2.5      2.4     5.7
   52   3   0  -5  23.597  47.193  1.92428       30.1      2.9      2.9     5.7
   53   3   2  -3  23.895  47.79   1.90165       11.0      1.1      1.0     5.7
   54   2   1   3  23.945  47.89   1.89789       42.9      4.1      4.1     5.7
   55   2   2   2  24.546  49.091  1.85424      120.8     11.6     11.4     5.7
   56   1   1   4  24.6    49.2    1.85037       56.4      5.4      5.3     5.7
   57   2   2  -4  24.732  49.465  1.8411       312.4     30.1     29.6     5.7
   58   1   3   0  25.42   50.841  1.79446       18.1      1.7      1.7     5.8
   59   3   2   1  25.89   51.78   1.76408       13.9      1.3      1.3     5.8
   60   5   0  -2  26.074  52.148  1.7525        56.0      5.4      5.3     5.8
   61   0   2   4  26.13   52.26   1.74902       17.8      1.7      1.7     5.8
   62   1   3   1  26.463  52.927  1.72853       11.6      1.1      1.1     5.8
   63   4   2  -2  26.603  53.206  1.72013       22.5      2.2      2.1     5.8
   64   0   1   5  26.64   53.281  1.71789       23.8      2.3      2.2     5.8
   65   2   3  -1  26.962  53.924  1.69889       44.7      4.3      4.2     5.8
   66   4   2  -1  27.061  54.122  1.69315       13.4      1.3      1.3     5.8
   67   4   1  -5  27.281  54.563  1.68052       71.4      6.9      6.7     5.8
   68   5   1  -2  27.458  54.917  1.67051       35.4      3.4      3.3     5.8
   69   5   1  -3  27.531  55.061  1.66648       28.3      2.7      2.7     5.8
   70   2   0  -6  27.582  55.164  1.66362       29.8      2.9      2.8     5.8
   71   3   0  -6  27.901  55.802  1.64609       40.4      3.9      3.8     5.8
   72   5   1  -1  28.393  56.786  1.61987      181.3     17.5     17.0     5.8
   73   4   2   0  28.518  57.035  1.61339       28.6      2.8      2.7     5.8
   74   1   3  -3  28.554  57.107  1.61152      253.3     24.4     23.7     5.8
   75   2   1   4  28.637  57.275  1.60721       17.6      1.7      1.6     5.8
   76   4   2  -4  28.742  57.484  1.60185      223.6     21.6     20.9     5.8
   77   3   2   2  28.905  57.81   1.59361       80.0      7.7      7.5     5.8
   78   0   3   3  29.351  58.702  1.57149       64.1      6.2      6.0     5.8
   79   4   0  -6  29.491  58.981  1.56472      129.4     12.5     12.1     5.8
   80   3   3  -1  29.699  59.397  1.55475      182.6     17.6     17.1     5.8
   81   3   3  -2  29.74   59.479  1.5528        12.5      1.2      1.2     5.8
   82   5   1   0  30.274  60.547  1.52794       48.3      4.7      4.5     5.8
   83   4   1   2  30.342  60.683  1.52484       68.8      6.6      6.4     5.8
   84   3   3   0  30.616  61.232  1.51248       12.6      1.2      1.2     5.8
   85   3   3  -3  30.737  61.474  1.5071        66.4      6.4      6.2     5.8
   86   4   2  -5  31.202  62.404  1.48686       35.9      3.5      3.3     5.8
   87   1   3   3  31.359  62.719  1.48016       11.4      1.1      1.1     5.8
   88   2   3  -4  31.448  62.896  1.47642       13.1      1.3      1.2     5.9
   89   6   0  -3  31.713  63.425  1.46536       14.3      1.4      1.3     5.9
   90   6   0  -4  32.255  64.509  1.44333       60.6      5.8      5.6     5.9
   91   3   0   4  32.294  64.589  1.44174       14.8      1.4      1.4     5.9
   92   5   2  -4  32.425  64.849  1.43658      122.7     11.8     11.4     5.9
   93   2   2   4  32.455  64.911  1.43537       43.5      4.2      4.0     5.9
   94   3   2   3  32.654  65.308  1.42759       21.1      2.0      1.9     5.9
   95   2   2  -6  32.715  65.431  1.42521       49.7      4.8      4.6     5.9
   96   3   2  -6  33.004  66.008  1.41415      101.9      9.8      9.4     5.9
   97   4   0   3  33.23   66.461  1.4056        14.8      1.4      1.4     5.9
   98   2   1   5  33.783  67.567  1.38526       52.4      5.0      4.8     5.9
   99   0   4   0  33.888  67.776  1.3815       252.1     24.3     23.2     5.9
  100   3   1  -7  33.937  67.873  1.37975       15.2      1.5      1.4     5.9
  101   5   2   0  33.984  67.968  1.37805       24.9      2.4      2.3     5.9
  102   4   2   2  34.048  68.096  1.37578      179.5     17.3     16.5     5.9
  103   2   1  -7  34.089  68.178  1.37432       16.7      1.6      1.5     5.9
  104   4   2  -6  34.454  68.907  1.36155       30.1      2.9      2.8     5.9
  105   6   1  -1  34.593  69.186  1.35673       13.4      1.3      1.2     5.9
  106   1   3   4  34.984  69.969  1.34347       16.5      1.6      1.5     5.9
  107   1   3  -5  35.097  70.195  1.33969       20.0      1.9      1.8     5.9
  108   5   0   2  35.327  70.654  1.3321        26.5      2.6      2.4     5.9
  109   0   2   6  35.624  71.247  1.32247       38.2      3.7      3.5     5.9
  110   2   4   0  36.177  72.355  1.30493       11.3      1.1      1.0     5.9
  111   6   2  -3  36.513  73.027  1.29456       25.8      2.5      2.4     6.0
  112   6   2  -2  36.874  73.748  1.28368       43.5      4.2      4.0     6.0
  113   6   2  -4  37.021  74.043  1.2793        44.2      4.3      4.0     6.0
  114   4   3  -5  37.2    74.399  1.27404       20.4      2.0      1.9     6.0
  115   5   3  -2  37.35   74.7    1.26967       18.2      1.8      1.7     6.0
  116   2   4   1  37.454  74.909  1.26664       11.3      1.1      1.0     6.0
  117   3   0   5  37.584  75.168  1.26292       21.9      2.1      2.0     6.0
  118   0   1   7  37.785  75.571  1.25718       23.6      2.3      2.1     6.0
  119   4   2   3  37.94   75.881  1.25281       45.0      4.3      4.1     6.0
  120   4   0   4  38.021  76.043  1.25055       15.3      1.5      1.4     6.0
  121   3   0  -8  38.059  76.118  1.2495        33.9      3.3      3.1     6.0
  122   6   2  -1  38.094  76.187  1.24853       12.5      1.2      1.1     6.0
  123   5   3  -1  38.149  76.297  1.247         70.8      6.8      6.4     6.0
  124   3   4  -2  38.18   76.36   1.24614       17.8      1.7      1.6     6.0
  125   2   0   6  38.281  76.561  1.24336       17.0      1.6      1.5     6.0
  126   6   2  -5  38.385  76.77   1.2405        77.2      7.4      7.0     6.0
  127   2   0  -8  38.62   77.24   1.23412       23.6      2.3      2.1     6.0
  128   1   2   6  38.704  77.408  1.23186       13.6      1.3      1.2     6.0
  129   3   4   0  38.961  77.922  1.22501       31.3      3.0      2.8     6.0
  130   1   3   5  39.3    78.601  1.21613       35.7      3.4      3.2     6.0
  131   2   4   2  39.566  79.133  1.20929       45.7      4.4      4.1     6.0
  132   5   3   0  39.791  79.582  1.20358       23.5      2.3      2.1     6.0
  133   4   3   2  39.851  79.703  1.20206       26.6      2.6      2.4     6.0
  134   6   1  -7  40.218  80.436  1.19294       39.5      3.8      3.6     6.0
  135   6   2  -6  40.578  81.156  1.18417       11.9      1.1      1.1     6.1
  136   0   2   7  41.19   82.38   1.16965       30.3      2.9      2.7     6.1
  137   4   4  -1  41.561  83.123  1.16107       24.7      2.4      2.2     6.1
  138   7   2  -3  42.413  84.827  1.14205       14.6      1.4      1.3     6.1
  139   3   2  -8  42.577  85.154  1.1385        12.8      1.2      1.1     6.1
  140   4   4   0  42.769  85.538  1.13436       21.5      2.1      1.9     6.1
  141   2   3   5  42.972  85.944  1.13003       49.9      4.8      4.4     6.1
  142   3   3  -7  43.114  86.228  1.12704       20.8      2.0      1.8     6.1
  143   7   1   0  43.824  87.648  1.11241       29.2      2.8      2.6     6.2
  144   6   1  -8  44.057  88.114  1.10772       12.9      1.2      1.1     6.2
  145   0   1   8  44.105  88.21   1.10676       14.4      1.4      1.3     6.2
  146   7   1  -7  44.402  88.805  1.10088       23.6      2.3      2.1     6.2
  147   4   1   5  44.567  89.135  1.09766       26.0      2.5      2.3     6.2
  148   5   2  -8  44.715  89.431  1.09479       22.4      2.2      2.0     6.2
  149   1   2  -8  44.747  89.495  1.09418       20.0      1.9      1.8     6.2
  150   8   0  -3  44.819  89.639  1.09279       23.4      2.3      2.1     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)