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

1, t-epidote, f-epidote, s-epidote, ZL

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


Monoclinic  P 2(1)/m  Z = 2

P2(1)/m

29 .4 .1988

Ref.Str.:

         Dollase W.A. (1968)

         * Amer. Mineral., 53, 1882-1898

                   Initial data from BDM-file 

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

             a =   8.879    alpha =   90.0 
             b =   5.583    beta  =  115.5 
             c =  10.155    gamma =   90.0 

    Unit cell volume (cub. angs.) =   454.36

    Molar volume ( cub.cm/mol.) =   136.84

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

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

   1 0.7617  0.75    0.1555   0.0    Ca    = 1.00
   2 0.6063  0.75    0.4234   0.0    Ca    = 1.00
   3 0.3382  0.75    0.0478   0.0    Si    = 1.00
   4 0.6776  0.25    0.2753   0.0    Si    = 1.00
   5 0.1822  0.75    0.3158   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 0.2873  0.25    0.2238   0.0    Al    = 1.00
   9 0.2346  0.9972  0.0452   0.0    O     = 1.00
  10 0.3004  0.9867  0.3509   0.0    O     = 1.00
  11 0.7874  0.0188  0.3471   0.0    O     = 1.00
  12 0.0551  0.25    0.1322   0.0    O     = 1.00
  13 0.0395  0.75    0.1433   0.0    O     = 1.00
  14 0.0596  0.75    0.401    0.0    O     = 1.00
  15 0.5166  0.75    0.1779   0.0    O     = 1.00
  16 0.509   0.25    0.295    0.0    O     = 1.00
  17 0.642   0.25    0.1042   0.0    O     = 1.00
  18 0.0751  0.25    0.4241   0.0    O     = 1.00
  19 0.046   0.25    0.341    0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7617     0.75       0.1555
     2       2     0.6063     0.75       0.4234
     3       3     0.3382     0.75       0.0478
     4       4     0.6776     0.25       0.2753
     5       5     0.1822     0.75       0.3158
     6       6     0.0        0.0        0.0   
     7       7     0.0        0.0        0.5   
     8       8     0.2873     0.25       0.2238
     9       9     0.2346     0.9972     0.0452
    10      10     0.3004     0.9867     0.3509
    11      11     0.7874     0.0188     0.3471
    12      12     0.0551     0.25       0.1322
    13      13     0.0395     0.75       0.1433
    14      14     0.0596     0.75       0.401 
    15      15     0.5166     0.75       0.1779
    16      16     0.509      0.25       0.295 
    17      17     0.642      0.25       0.1042
    18      18     0.0751     0.25       0.4241
    19      19     0.046      0.25       0.341 
    20       1     0.2383     0.25       0.8445
    21       2     0.3937     0.25       0.5766
    22       3     0.6618     0.25       0.9522
    23       4     0.3224     0.75       0.7247
    24       5     0.8178     0.25       0.6842
    25       6     0.0        0.5        0.0   
    26       7     0.0        0.5        0.5   
    27       8     0.7127     0.75       0.7762
    28       9     0.7654     0.4972     0.9548
    29      10     0.6996     0.4867     0.6491
    30      11     0.2126     0.5188     0.6529
    31      12     0.9449     0.75       0.8678
    32      13     0.9605     0.25       0.8567
    33      14     0.9404     0.25       0.599 
    34      15     0.4834     0.25       0.8221
    35      16     0.491      0.75       0.705 
    36      17     0.358      0.75       0.8958
    37      18     0.9249     0.75       0.5759
    38      19     0.954      0.75       0.659 
    39       9     0.2346     0.5028     0.0452
    40      10     0.3004     0.5133     0.3509
    41      11     0.7874     0.4812     0.3471
    42       9     0.7654     0.0028     0.9548
    43      10     0.6996     0.0133     0.6491
    44      11     0.2126     0.9812     0.6529


X-ray density (g/cm cub.)   =      3.32

MU (1/cm) =     178.422    Mass attenuation coefficient (cm**2/g) =     53.742

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

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

    1    Ca                  2.88         7
                                                 2.3891      11
                                                 2.5224      13
                                                 2.7448      14
                                                 2.2834      15
                                                 2.4909       9
                                                 2.3891      11
                                                 2.4909       9
    2    Ca                  2.88         8
                                                 2.8185      10
                                                 2.5516      11
                                                 2.2672      15
                                                 2.5427      10
                                                 2.5746      18
                                                 2.8185      10
                                                 2.5516      11
                                                 2.5427      10
    3    Si                  2.1          4
                                                 1.6525       9
                                                 1.5661      15
                                                 1.627       17
                                                 1.6525       9
    4    Si                  2.1          4
                                                 1.5925      11
                                                 1.5934      16
                                                 1.6267      17
                                                 1.5925      11
    5    Si                  2.1          4
                                                 1.6287      10
                                                 1.6622      13
                                                 1.6567      14
                                                 1.6287      10
    6    Al                  2.316        6
                                                 1.9305       9
                                                 1.8505      12
                                                 1.9363      13
                                                 1.8505      12
                                                 1.9363      13
                                                 1.9305       9
    7    Al                  2.316        6
                                                 1.8605      11
                                                 1.9227      14
                                                 1.8519      18
                                                 1.9227      14
                                                 1.8519      18
                                                 1.8605      11
    8    Al                  2.316        6
                                                 2.184        9
                                                 1.9264      10
                                                 1.8614      12
                                                 1.7811      16
                                                 2.184        9
                                                 1.9264      10
    9    O                   3.264       10
                                                 2.9018      10
                                                 2.5544      12
                                                 2.7173      13
                                                 2.6617      15
                                                 3.0069      16
                                                 2.7887      12
                                                 2.751       13
                                                 2.615       17
                                                 2.8228       9
                                                 2.7602       9
   10    O                   3.264        8
                                                 2.9018       9
                                                 2.7699      12
                                                 2.7115      13
                                                 2.741       14
                                                 2.6113      16
                                                 2.8276      18
                                                 2.94        10
                                                 2.643       10
   11    O                   3.264        9
                                                 2.6933      14
                                                 2.7255      15
                                                 2.6326      16
                                                 2.5837      17
                                                 2.6614      18
                                                 2.6576      14
                                                 2.5882      18
                                                 2.5816      11
                                                 3.0014      11
   12    O                   3.264       10
                                                 2.5544       9
                                                 2.7699      10
                                                 2.7996      13
                                                 2.7996      13
                                                 2.8922      18
                                                 2.7887       9
                                                 2.5513      13
                                                 2.5544       9
                                                 2.7699      10
                                                 2.7887       9
   13    O                   3.264       10
                                                 2.7173       9
                                                 2.7115      10
                                                 2.7996      12
                                                 2.7996      12
                                                 2.5452      14
                                                 2.751        9
                                                 2.5513      12
                                                 2.7173       9
                                                 2.7115      10
                                                 2.751        9
   14    O                   3.264       10
                                                 2.741       10
                                                 2.6933      11
                                                 2.5452      13
                                                 2.7998      18
                                                 2.7998      18
                                                 2.6576      11
                                                 2.5326      18
                                                 2.741       10
                                                 2.6933      11
                                                 2.6576      11
   15    O                   3.264        9
                                                 2.6617       9
                                                 2.7255      11
                                                 3.0463      16
                                                 3.0463      16
                                                 3.2109      17
                                                 3.2109      17
                                                 2.5916      17
                                                 2.6617       9
                                                 2.7255      11
   16    O                   3.264        9
                                                 3.0069       9
                                                 2.6113      10
                                                 2.6326      11
                                                 3.0463      15
                                                 3.0463      15
                                                 2.6681      17
                                                 3.0069       9
                                                 2.6113      10
                                                 2.6326      11
   17    O                   3.264        8
                                                 2.5837      11
                                                 3.2109      15
                                                 3.2109      15
                                                 2.6681      16
                                                 2.615        9
                                                 2.5916      15
                                                 2.5837      11
                                                 2.615        9
   18    O                   3.264       10
                                                 2.8276      10
                                                 2.6614      11
                                                 2.8922      12
                                                 2.7998      14
                                                 2.7998      14
                                                 2.5882      11
                                                 2.5326      14
                                                 2.8276      10
                                                 2.6614      11
                                                 2.5882      11
   19    H                   1.632        1
                                                 0.7689      18

  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  4.821   9.642   0.055  280.2     2        3.3        3.0
    2   1   0   0  5.516  11.031   0.062  213.52    2       21.4       94.9
    3   1   0  -1  5.548  11.095   0.063  211.02    2        1.9        0.7
    4   1   0   1  8.772  17.543   0.099   83.06    2        1.0        0.1
    5   1   0  -2  8.833  17.666   0.1     81.89    2       51.3      208.9
    6   0   1   1  9.297  18.594   0.105   73.71    4       19.1       52.1
    7   0   0   2  9.676  19.352   0.109   67.87    2        7.2        3.4
    8   1   1   0  9.68   19.36    0.109   67.82    4        0.1        0.0
    9   1   1  -1  9.699  19.397   0.109   67.55    4        7.8        8.0
   10   2   0  -1  9.992  19.984   0.113   63.52    2       12.7       10.0
   11   2   0   0 11.083  22.166   0.125   51.23    2       49.1      119.8
   12   2   0  -2 11.148  22.297   0.126   50.6     2       45.1       99.5
   13   1   1   1 11.867  23.735   0.133   44.41    4       25.1       54.3
   14   1   1  -2 11.913  23.827   0.134   44.05    4        2.7        0.6
   15   0   1   2 12.559  25.119   0.141   39.43    4        5.1        2.0
   16   2   1  -1 12.808  25.615   0.144   37.84    4       56.4      232.9
   17   1   0   2 13.104  26.207   0.147   36.06    2       52.9       97.9
   18   1   0  -3 13.173  26.346   0.148   35.65    2        3.2        0.3
   19   2   1   0 13.687  27.374   0.154   32.88    4        0.5        0.0
   20   2   1  -2 13.741  27.481   0.154   32.61    4        3.6        0.8
   21   2   0   1 13.927  27.853   0.156   31.69    2       68.9      145.6
   22   2   0  -3 14.032  28.064   0.157   31.19    2       28.1       23.9
   23   0   0   3 14.603  29.206   0.164   28.64    2       38.0       40.1
   24   3   0  -1 15.268  30.535   0.171   26.04    2       24.7       15.4
   25   3   0  -2 15.304  30.608   0.171   25.91    2       86.4      187.2
   26   1   1   2 15.39   30.781   0.172   25.6     4        1.9        0.2
   27   1   1  -3 15.45   30.901   0.173   25.38    4      132.7      865.4
   28   0   2   0 16.018  32.036   0.179   23.48    2      118.1      317.2
   29   2   1   1 16.106  32.212   0.18    23.21    4       59.2      157.8
   30   2   1  -3 16.199  32.397   0.181   22.92    4       18.2       14.7
   31   0   1   3 16.702  33.405   0.187   21.45    4       72.5      218.7
   32   3   0   0 16.759  33.518   0.187   21.29    2       84.7      147.9
   33   0   2   1 16.765  33.531   0.187   21.27    4       11.4        5.4
   34   3   0  -3 16.859  33.719   0.188   21.02    2        7.9        1.3
   35   1   2   0 16.99   33.979   0.19    20.67    4       61.3      150.7
   36   1   2  -1 17.001  34.001   0.19    20.64    4       20.0       16.0
   37   3   1  -1 17.295  34.589   0.193   19.88    4       92.8      331.8
   38   3   1  -2 17.327  34.654   0.193   19.8     4       15.1        8.7
   39   2   0   2 17.758  35.516   0.198   18.77    2       83.5      126.7
   40   1   0   3 17.821  35.643   0.199   18.62    2       17.0        5.2
   41   2   0  -4 17.885  35.77    0.199   18.48    2        4.2        0.3
   42   1   0  -4 17.895  35.79    0.199   18.45    2       58.0       60.2
   43   1   2   1 18.377  36.755   0.205   17.41    4        7.8        2.0
   44   1   2  -2 18.408  36.816   0.205   17.34    4       62.4      130.7
   45   3   1   0 18.642  37.284   0.207   16.87    4        4.4        0.6
   46   3   1  -3 18.734  37.467   0.208   16.69    4       82.1      218.1
   47   0   2   2 18.85   37.701   0.21    16.46    4       76.4      186.1
   48   2   2  -1 19.024  38.047   0.212   16.13    4       42.0       55.2
   49   3   0   1 19.468  38.935   0.216   15.33    2        1.1        0.0
   50   2   1   2 19.557  39.115   0.217   15.17    4       16.9        8.4
   51   3   0  -4 19.614  39.229   0.218   15.07    2       11.5        1.9
   52   1   1   3 19.616  39.231   0.218   15.07    4       33.5       32.8
   53   0   0   4 19.643  39.286   0.218   15.03    2       23.9        8.3
   54   2   2   0 19.651  39.303   0.218   15.01    4        1.1        0.0
   55   2   1  -4 19.674  39.349   0.219   14.97    4       18.8       10.3
   56   1   1  -4 19.684  39.368   0.219   14.96    4       21.6       13.5
   57   2   2  -2 19.69   39.381   0.219   14.95    4       69.7      140.8
   58   4   0  -2 20.305  40.61    0.225   13.96    2       23.2        7.3
   59   4   0  -1 20.882  41.765   0.231   13.11    2       90.0      102.8
   60   1   2   2 20.924  41.848   0.232   13.05    4        9.3        2.2
   61   4   0  -3 20.956  41.912   0.232   13.01    2       50.4       32.0
   62   1   2  -3 20.97   41.94    0.232   12.99    4       37.3       35.0
   63   3   1   1 21.143  42.287   0.234   12.75    4        8.3        1.7
   64   3   1  -4 21.281  42.561   0.236   12.57    4        4.0        0.4
   65   0   1   4 21.307  42.614   0.236   12.53    4       33.4       27.1
   66   2   2   1 21.478  42.957   0.238   12.31    4       91.1      198.1
   67   2   2  -3 21.551  43.102   0.238   12.22    4       76.5      138.4
   68   4   1  -2 21.928  43.856   0.242   11.75    4       34.7       27.4
   69   0   2   3 21.948  43.897   0.243   11.72    4       71.8      117.0
   70   2   0   3 22.158  44.315   0.245   11.48    2       73.6       60.3
   71   2   0  -5 22.298  44.597   0.246   11.31    2       30.6       10.2
   72   3   2  -1 22.422  44.844   0.248   11.17    4       39.8       34.3
   73   3   2  -2 22.448  44.896   0.248   11.14    4       43.1       40.0
   74   4   1  -1 22.471  44.942   0.248   11.12    4        7.6        1.3
   75   4   1  -3 22.541  45.082   0.249   11.04    4        2.7        0.2
   76   4   0   0 22.611  45.221   0.25    10.96    2       78.9       66.1
   77   4   0  -4 22.749  45.498   0.251   10.81    2       26.7        7.4
   78   1   0   4 22.791  45.582   0.251   10.77    2       44.9       21.0
   79   1   0  -5 22.869  45.738   0.252   10.69    2       37.7       14.7
   80   3   0   2 23.036  46.072   0.254   10.51    2       30.5        9.5
   81   3   0  -5 23.215  46.431   0.256   10.33    2       55.2       30.5
   82   3   2   0 23.522  47.045   0.259   10.03    4       10.5        2.1
   83   3   2  -3 23.598  47.196   0.26     9.95    4       21.9        9.3
   84   2   1   3 23.678  47.356   0.261    9.88    4       21.6        8.9
   85   2   1  -5 23.812  47.624   0.262    9.75    4        3.9        0.3
   86   4   1   0 24.109  48.218   0.265    9.48    4       22.9        9.6
   87   4   1  -4 24.241  48.482   0.267    9.36    4       10.1        1.9
   88   1   1   4 24.281  48.562   0.267    9.33    4       57.1       59.0
   89   2   2   2 24.286  48.573   0.267    9.32    4       61.5       68.4
   90   1   2   3 24.335  48.671   0.267    9.28    4       17.4        5.4
   91   1   1  -5 24.355  48.71    0.268    9.27    4       41.2       30.5
   92   2   2  -4 24.385  48.77    0.268    9.24    4       86.2      133.1
   93   1   2  -4 24.393  48.786   0.268    9.23    4       49.1       43.1
   94   3   1   2 24.514  49.029   0.269    9.13    4       39.7       27.8
   95   3   1  -5 24.685  49.371   0.271    8.99    4       20.4        7.3
   96   0   0   5 24.847  49.694   0.273    8.85    2        8.1        0.6
   97   0   3   1 24.983  49.966   0.274    8.74    4       16.4        4.6
   98   1   3   0 25.146  50.291   0.276    8.62    4       17.1        4.9
   99   1   3  -1 25.154  50.307   0.276    8.61    4        2.3        0.1
  100   4   0   1 25.304  50.609   0.277    8.49    2       10.6        0.9
  101   4   0  -5 25.495  50.991   0.279    8.35    2       25.4        5.2
  102   3   2   1 25.638  51.276   0.281    8.24    4       12.3        2.4
  103   3   2  -4 25.756  51.513   0.282    8.16    4       14.2        3.2
  104   0   2   4 25.779  51.558   0.282    8.14    4       40.9       26.4
  105   5   0  -2 25.817  51.634   0.283    8.11    2       64.1       32.3
  106   5   0  -3 25.856  51.713   0.283    8.09    2       20.5        3.3
  107   1   3   1 26.174  52.349   0.286    7.86    4       27.3       11.4
  108   1   3  -2 26.198  52.396   0.287    7.85    4        8.6        1.1
  109   0   1   5 26.249  52.497   0.287    7.81    4       33.1       16.5
  110   4   2  -2 26.318  52.637   0.288    7.77    4       34.5       17.9
  111   0   3   2 26.534  53.068   0.29     7.62    4        0.1        0.0
  112   2   3  -1 26.667  53.334   0.291    7.54    4       40.7       24.1
  113   4   1   1 26.689  53.378   0.292    7.52    4       19.4        5.5
  114   4   2  -1 26.793  53.587   0.293    7.46    4       17.7        4.5
  115   5   0  -1 26.797  53.594   0.293    7.45    2        5.6        0.2
  116   4   2  -3 26.855  53.709   0.293    7.42    4       15.6        3.5
  117   4   1  -5 26.873  53.746   0.293    7.41    4       68.7       67.6
  118   5   0  -4 26.912  53.823   0.294    7.38    2       13.0        1.2
  119   2   0   4 26.964  53.927   0.294    7.35    2       50.7       18.3
  120   2   0  -6 27.116  54.232   0.296    7.26    2       66.6       31.1
  121   2   3   0 27.153  54.306   0.296    7.23    4        1.0        0.0
  122   5   1  -2 27.183  54.366   0.297    7.22    4       49.8       34.6
  123   2   3  -2 27.183  54.367   0.297    7.21    4        2.1        0.1
  124   5   1  -3 27.221  54.441   0.297    7.19    4       22.7        7.2
  125   3   0   3 27.226  54.451   0.297    7.19    2        9.9        0.7
  126   3   0  -6 27.43   54.859   0.299    7.07    2       59.2       24.0
  127   2   2   3 27.86   55.721   0.303    6.82    4        8.2        0.9
  128   2   2  -5 27.98   55.959   0.305    6.76    4       11.2        1.7
  129   1   0   5 28.012  56.024   0.305    6.74    2       40.7       10.8
  130   1   0  -6 28.094  56.187   0.306    6.69    2      116.6       88.2
  131   5   1  -1 28.13   56.259   0.306    6.68    4       95.8      118.8
  132   1   3   2 28.16   56.319   0.306    6.66    4        1.9        0.0
  133   1   3  -3 28.197  56.393   0.307    6.64    4       90.6      105.6
  134   5   1  -4 28.241  56.481   0.307    6.62    4       16.4        3.4
  135   4   2   0 28.245  56.489   0.307    6.61    4       54.4       37.9
  136   2   1   4 28.291  56.582   0.308    6.59    4       36.2       16.7
  137   4   2  -4 28.363  56.726   0.308    6.55    4      100.1      127.1
  138   1   2   4 28.399  56.798   0.309    6.53    4       79.5       79.9
  139   2   1  -6 28.439  56.877   0.309    6.51    4       25.0        7.9
  140   1   2  -5 28.465  56.93    0.309    6.5     4        0.2        0.0
  141   3   1   3 28.545  57.09    0.31     6.46    4       15.4        3.0
  142   2   3   1 28.607  57.213   0.311    6.43    4       47.4       28.0
  143   3   2   2 28.608  57.216   0.311    6.42    4       50.5       31.7
  144   2   3  -3 28.665  57.331   0.311    6.4     4       14.4        2.6
  145   5   0   0 28.723  57.447   0.312    6.37    2       31.2        6.0
  146   3   1  -6 28.743  57.485   0.312    6.36    4        2.0        0.1
  147   3   2  -5 28.762  57.524   0.312    6.35    4       12.8        2.0
  148   4   0   2 28.774  57.548   0.312    6.34    2        3.3        0.1
  149   5   0  -5 28.906  57.812   0.314    6.28    2       33.5        6.8
  150   0   3   3 28.989  57.979   0.315    6.24    4       58.7       41.6
  151   4   0  -6 29.007  58.014   0.315    6.23    2      141.0      119.9
  152   1   1   5 29.308  58.616   0.318    6.08    4       72.0       61.0
  153   3   3  -1 29.378  58.756   0.318    6.05    4       77.6       70.6
  154   1   1  -6 29.387  58.774   0.319    6.05    4       19.6        4.5
  155   3   3  -2 29.4    58.8     0.319    6.04    4       26.6        8.3
  156   5   1   0 30.0    59.999   0.325    5.77    4       64.9       47.1
  157   4   1   2 30.049  60.098   0.325    5.75    4       66.7       49.5
  158   5   1  -5 30.177  60.355   0.326    5.7     4        4.2        0.2
  159   0   2   5 30.179  60.357   0.326    5.7     4        4.2        0.2
  160   4   1  -6 30.276  60.552   0.327    5.66    4        0.3        0.0
  161   0   0   6 30.28   60.561   0.327    5.65    2       40.5        9.0
  162   3   3   0 30.294  60.589   0.327    5.65    4       13.7        2.0
  163   3   3  -3 30.358  60.716   0.328    5.62    4       58.4       37.2
  164   4   2   1 30.581  61.163   0.33     5.53    4       21.2        4.8
  165   4   2  -5 30.75   61.5     0.332    5.46    4       41.0       17.8
  166   2   3   2 30.94   61.88    0.334    5.39    4       12.5        1.6
  167   1   3   3 30.982  61.964   0.334    5.37    4       16.6        2.9
  168   2   3  -4 31.024  62.048   0.335    5.36    4       13.1        1.8
  169   1   3  -4 31.031  62.061   0.335    5.36    4        7.1        0.5
  170   5   2  -2 31.035  62.07    0.335    5.35    4       41.0       17.4
  171   5   2  -3 31.07   62.139   0.335    5.34    4        8.6        0.8
  172   6   0  -3 31.368  62.736   0.338    5.23    2       38.6        7.6
  173   5   0   1 31.487  62.973   0.339    5.19    2       15.5        1.2
  174   0   1   6 31.518  63.036   0.339    5.17    4       14.4        2.1
  175   5   0  -6 31.728  63.457   0.341    5.1     2       33.2        5.5
  176   6   0  -2 31.78   63.56    0.342    5.08    2       24.1        2.9
  177   6   0  -4 31.863  63.725   0.343    5.05    2       86.8       36.9
  178   5   2  -1 31.909  63.818   0.343    5.04    4       20.0        3.9
  179   3   0   4 31.923  63.846   0.343    5.03    2       50.3       12.3
  180   5   2  -4 32.012  64.024   0.344    5.0     4       98.4       93.8
  181   2   2   4 32.059  64.117   0.345    4.99    4       54.9       29.1
  182   3   3   1 32.1    64.201   0.345    4.97    4        5.6        0.3
  183   2   0   5 32.143  64.287   0.345    4.96    2        6.0        0.2
  184   3   0  -7 32.149  64.298   0.345    4.96    2        3.6        0.1
  185   2   2  -6 32.196  64.391   0.346    4.94    4       72.0       49.6
  186   3   3  -4 32.203  64.406   0.346    4.94    4        2.5        0.1
  187   0   3   4 32.223  64.446   0.346    4.93    4       21.9        4.6
  188   3   2   3 32.294  64.589   0.347    4.91    4       27.7        7.3
  189   2   0  -7 32.307  64.615   0.347    4.9     2       17.8        1.5
  190   3   2  -6 32.478  64.957   0.349    4.85    4       89.8       75.7
  191   6   1  -3 32.582  65.164   0.35     4.81    4        0.5        0.0
  192   4   3  -2 32.693  65.385   0.351    4.78    4       21.5        4.3
  193   5   1   1 32.698  65.396   0.351    4.78    4       19.8        3.6
  194   4   0   3 32.887  65.774   0.352    4.72    2       62.2       17.7
  195   5   1  -6 32.935  65.87    0.353    4.7     4       22.1        4.4
  196   6   1  -2 32.986  65.972   0.353    4.69    4       20.6        3.9
  197   1   2   5 33.005  66.011   0.354    4.68    4        8.8        0.7
  198   6   1  -4 33.067  66.134   0.354    4.66    4       18.0        2.9
  199   1   2  -6 33.08   66.159   0.354    4.66    4       18.9        3.2
  200   6   0  -1 33.08   66.161   0.354    4.66    2       10.3        0.5
  201   4   3  -1 33.109  66.218   0.355    4.65    4        6.0        0.3
  202   3   1   4 33.126  66.252   0.355    4.65    4        3.1        0.1
  203   4   0  -7 33.157  66.314   0.355    4.64    2       17.0        1.3
  204   4   3  -3 33.163  66.326   0.355    4.64    4        1.8        0.0
  205   6   0  -5 33.242  66.484   0.356    4.61    2       38.3        6.6
  206   2   1   5 33.342  66.684   0.357    4.58    4       56.6       28.5
  207   3   1  -7 33.348  66.696   0.357    4.58    4       25.6        5.8
  208   0   4   0 33.496  66.992   0.358    4.54    2      223.1      218.9
  209   2   1  -7 33.503  67.006   0.358    4.54    4       43.6       16.7
  210   1   0   6 33.536  67.073   0.359    4.53    2        5.0        0.1
  211   1   0  -7 33.623  67.247   0.359    4.5     2       31.0        4.2
  212   5   2   0 33.653  67.307   0.36     4.49    4       40.6       14.3
  213   4   2   2 33.699  67.399   0.36     4.48    4      128.4      143.2
  214   5   2  -5 33.82   67.64    0.361    4.45    4        3.5        0.1
  215   4   2  -6 33.913  67.826   0.362    4.42    4       36.6       11.5
  216   0   4   1 33.934  67.868   0.362    4.42    4        3.5        0.1
  217   2   3   3 34.054  68.107   0.363    4.38    4       20.1        3.4
  218   1   4   0 34.068  68.137   0.364    4.38    4       10.3        0.9
  219   4   1   3 34.072  68.145   0.364    4.38    4        9.1        0.7
  220   1   4  -1 34.075  68.15    0.364    4.38    4        0.2        0.0
  221   2   3  -5 34.16   68.32    0.364    4.36    4        2.6        0.1
  222   6   1  -1 34.262  68.524   0.365    4.33    4       34.0        9.7
  223   4   1  -7 34.338  68.676   0.366    4.31    4       19.8        3.3
  224   4   3   0 34.397  68.793   0.367    4.29    4       19.9        3.3
  225   6   1  -5 34.421  68.842   0.367    4.29    4        7.1        0.4
  226   4   3  -4 34.502  69.005   0.368    4.27    4        7.0        0.4
  227   1   3   4 34.534  69.069   0.368    4.26    4       55.8       25.7
  228   1   3  -5 34.594  69.188   0.369    4.24    4       31.3        8.1
  229   1   1   6 34.711  69.421   0.37     4.22    4       17.3        2.5
  230   3   3   2 34.722  69.445   0.37     4.21    4       23.7        4.6
  231   1   1  -7 34.796  69.593   0.37     4.19    4        2.7        0.1
  232   3   3  -5 34.86   69.721   0.371    4.18    4       24.0        4.7
  233   1   4   1 34.929  69.858   0.372    4.16    4        1.9        0.0
  234   1   4  -2 34.948  69.897   0.372    4.16    4       28.1        6.4
  235   5   0   2 34.986  69.972   0.372    4.15    2       65.8       17.4
  236   0   2   6 35.086  70.171   0.373    4.12    4       61.5       30.2
  237   6   0   0 35.219  70.437   0.374    4.09    2       29.7        3.5
  238   0   4   2 35.233  70.466   0.374    4.09    4        6.1        0.3
  239   5   0  -7 35.281  70.561   0.375    4.08    2       26.4        2.8
  240   2   4  -1 35.346  70.691   0.376    4.06    4        5.9        0.3
  241   6   0  -6 35.454  70.908   0.377    4.04    2       15.5        0.9
  242   2   4   0 35.76   71.521   0.379    3.97    4       28.0        6.0
  243   2   4  -2 35.786  71.573   0.38     3.97    4       26.3        5.3
  244   0   0   7 36.035  72.069   0.382    3.91    2       30.9        3.6
  245   6   2  -3 36.097  72.193   0.382    3.9     4       50.4       19.2
  246   5   1   2 36.139  72.277   0.383    3.89    4       12.0        1.1
  247   0   3   5 36.144  72.288   0.383    3.89    4       29.8        6.7
  248   5   2   1 36.207  72.415   0.383    3.88    4       29.5        6.5
  249   6   1   0 36.368  72.736   0.385    3.84    4        5.4        0.2
  250   5   1  -7 36.429  72.859   0.385    3.83    4        5.5        0.2
  251   5   2  -6 36.433  72.867   0.386    3.83    4       41.6       12.8
  252   6   2  -2 36.482  72.964   0.386    3.82    4       69.8       36.1
  253   4   3   1 36.512  73.024   0.386    3.81    4       17.2        2.2
  254   6   2  -4 36.559  73.119   0.387    3.8     4       54.9       22.3
  255   6   1  -6 36.6    73.201   0.387    3.8     4       25.8        4.9
  256   3   2   4 36.616  73.231   0.387    3.79    4       20.3        3.0
  257   1   4   2 36.629  73.257   0.387    3.79    4       32.4        7.7
  258   1   4  -3 36.661  73.322   0.388    3.78    4        4.3        0.1
  259   4   3  -5 36.667  73.333   0.388    3.78    4       59.2       25.7
  260   2   2   5 36.823  73.645   0.389    3.75    4       28.6        5.9
  261   3   2  -7 36.828  73.656   0.389    3.75    4       17.4        2.2
  262   5   3  -2 36.928  73.856   0.39     3.73    4       51.8       19.4
  263   5   3  -3 36.96   73.921   0.39     3.73    4       13.4        1.3
  264   2   2  -7 36.977  73.953   0.39     3.72    4       30.2        6.6
  265   2   4   1 37.019  74.037   0.391    3.72    4       44.9       14.5
  266   2   4  -3 37.07   74.14    0.391    3.71    4       12.2        1.1
  267   3   0   5 37.11   74.22    0.392    3.7     2       63.6       14.5
  268   0   1   7 37.174  74.348   0.392    3.69    4       54.1       20.9
  269   0   4   3 37.354  74.708   0.394    3.66    4       18.3        2.4
  270   3   0  -8 37.36   74.72    0.394    3.65    2       79.5       22.4
  271   7   0  -3 37.476  74.952   0.395    3.63    2       37.7        5.0
  272   7   0  -4 37.521  75.042   0.395    3.63    2       33.3        3.9
  273   4   2   3 37.523  75.046   0.395    3.63    4       88.6       55.1
  274   4   0   4 37.589  75.178   0.396    3.61    2       57.1       11.4
  275   3   4  -1 37.697  75.393   0.397    3.59    4       13.5        1.3
  276   6   2  -1 37.705  75.41    0.397    3.59    4       47.7       15.8
  277   3   4  -2 37.716  75.432   0.397    3.59    4       61.3       26.1
  278   5   3  -1 37.735  75.471   0.397    3.59    4       89.0       55.0
  279   2   0   6 37.741  75.483   0.397    3.59    2       53.4        9.9
  280   4   2  -7 37.778  75.556   0.398    3.58    4        7.5        0.4
  281   5   3  -4 37.831  75.662   0.398    3.57    4        8.5        0.5
  282   6   2  -5 37.858  75.716   0.398    3.57    4       94.0       61.1
  283   2   3   4 37.874  75.749   0.399    3.56    4       31.8        7.0
  284   4   0  -8 37.895  75.79    0.399    3.56    2       33.3        3.8
  285   2   0  -8 37.92   75.839   0.399    3.56    2       68.1       16.0
  286   2   3  -6 38.001  76.003   0.4      3.54    4       20.4        2.9
  287   3   3   3 38.093  76.187   0.4      3.53    4       19.9        2.7
  288   1   2   6 38.137  76.274   0.401    3.52    4       31.3        6.7
  289   6   0   1 38.138  76.275   0.401    3.52    2       22.9        1.8
  290   1   2  -7 38.22   76.439   0.402    3.51    4        8.6        0.5
  291   3   1   5 38.238  76.475   0.402    3.51    4       18.4        2.3
  292   3   3  -6 38.265  76.529   0.402    3.5     4        9.1        0.6
  293   7   0  -2 38.267  76.533   0.402    3.5     2        3.7        0.0
  294   7   0  -5 38.4    76.799   0.403    3.48    2       21.0        1.5
  295   6   0  -7 38.442  76.884   0.404    3.47    2        7.7        0.2
  296   3   1  -8 38.485  76.969   0.404    3.47    4        7.6        0.4
  297   3   4   0 38.511  77.022   0.404    3.46    4       59.7       23.9
  298   3   4  -3 38.568  77.136   0.405    3.45    4        4.3        0.1
  299   7   1  -3 38.6    77.2     0.405    3.45    4        3.2        0.1
  300   7   1  -4 38.644  77.288   0.405    3.44    4       22.2        3.3
  301   4   1   4 38.712  77.423   0.406    3.43    4       14.9        1.5
  302   1   3   5 38.757  77.513   0.406    3.43    4       64.8       27.8
  303   1   3  -6 38.826  77.652   0.407    3.41    4        8.2        0.4
  304   2   1   6 38.863  77.725   0.407    3.41    4       21.3        3.0
  305   4   1  -8 39.015  78.029   0.409    3.39    4        6.8        0.3
  306   2   1  -8 39.039  78.078   0.409    3.38    4        2.9        0.1
  307   2   4   2 39.09   78.181   0.409    3.38    4       70.6       32.6
  308   1   4   3 39.128  78.256   0.41     3.37    4        7.5        0.4
  309   5   0   3 39.164  78.328   0.41     3.37    2        5.7        0.1
  310   2   4  -4 39.166  78.332   0.41     3.37    4        1.5        0.0
  311   1   4  -4 39.172  78.344   0.41     3.36    4       44.8       13.1
  312   6   1   1 39.255  78.511   0.411    3.35    4        1.1        0.0
  313   5   3   0 39.365  78.729   0.412    3.34    4       59.1       22.6
  314   7   1  -2 39.383  78.766   0.412    3.34    4        9.1        0.5
  315   4   3   2 39.408  78.816   0.412    3.33    4       53.4       18.4
  316   1   0   7 39.464  78.929   0.413    3.32    2       24.2        1.9
  317   5   0  -8 39.51   79.02    0.413    3.32    2        3.7        0.0
  318   7   1  -5 39.515  79.03    0.413    3.32    4        0.1        0.0
  319   5   2   2 39.518  79.035   0.413    3.32    4       18.3        2.2
  320   5   3  -5 39.522  79.043   0.413    3.32    4        6.2        0.3
  321   6   1  -7 39.557  79.114   0.413    3.31    4       70.0       31.5
  322   1   0  -8 39.559  79.117   0.413    3.31    2       19.5        1.2
  323   4   3  -6 39.609  79.218   0.414    3.31    4        0.9        0.0
  324   6   2   0 39.741  79.481   0.415    3.29    4        9.9        0.6
  325   5   2  -7 39.8    79.6     0.416    3.28    4       37.9        9.1
  326   7   0  -1 39.877  79.753   0.416    3.27    2       14.5        0.7
  327   6   2  -6 39.966  79.932   0.417    3.26    4       33.3        7.0
  328   7   0  -6 40.096  80.192   0.418    3.24    2        8.2        0.2
  329   3   4   1 40.143  80.286   0.418    3.24    4        5.8        0.2
  330   3   4  -4 40.237  80.474   0.419    3.23    4       22.2        3.1
  331   0   4   4 40.255  80.511   0.419    3.22    4        0.8        0.0
  332   5   1   3 40.273  80.547   0.42     3.22    4        1.4        0.0
  333   0   2   7 40.525  81.049   0.422    3.19    4       81.1       40.6
  334   1   1   7 40.572  81.144   0.422    3.19    4       21.6        2.9
  335   5   1  -8 40.617  81.234   0.423    3.18    4        9.2        0.5
  336   1   1  -8 40.666  81.331   0.423    3.18    4        1.1        0.0
  337   4   4  -2 40.686  81.372   0.423    3.17    4        3.0        0.1
  338   0   3   6 40.72   81.439   0.423    3.17    4       10.6        0.7
  339   7   1  -1 40.981  81.963   0.426    3.14    4        5.8        0.2
  340   4   4  -1 41.07   82.14    0.426    3.13    4       50.4       15.4
  341   4   4  -3 41.12   82.239   0.427    3.13    4       26.5        4.3
  342   7   1  -6 41.199  82.398   0.428    3.12    4       27.8        4.7
  343   3   2   5 41.564  83.128   0.431    3.08    4       33.1        6.5
  344   6   3  -3 41.685  83.37    0.432    3.07    4        1.8        0.0
  345   5   3   1 41.791  83.582   0.433    3.06    4       25.6        3.9
  346   6   0   2 41.801  83.603   0.433    3.06    2       19.3        1.1
  347   3   2  -8 41.806  83.612   0.433    3.06    4       33.6        6.7
  348   7   2  -3 41.919  83.838   0.434    3.05    4       58.2       20.0
  349   2   4   3 41.947  83.894   0.434    3.04    4       38.6        8.8
  350   7   2  -4 41.962  83.925   0.434    3.04    4        8.8        0.5
  351   5   3  -6 42.008  84.017   0.434    3.04    4       12.7        0.9
  352   4   2   4 42.029  84.057   0.435    3.04    4       23.3        3.2
  353   2   4  -5 42.046  84.092   0.435    3.03    4       17.4        1.8
  354   6   3  -2 42.055  84.11    0.435    3.03    4       19.7        2.3
  355   6   3  -4 42.129  84.259   0.435    3.03    4       15.3        1.4
  356   6   0  -8 42.173  84.347   0.436    3.02    2       62.8       11.5
  357   2   2   6 42.177  84.354   0.436    3.02    4       17.0        1.7
  358   3   3   4 42.184  84.367   0.436    3.02    4       11.5        0.8
  359   0   0   8 42.246  84.491   0.436    3.02    2        5.8        0.1
  360   4   4   0 42.267  84.535   0.437    3.01    4       48.9       14.0
  361   7   0   0 42.285  84.569   0.437    3.01    2       21.0        1.3
  362   4   2  -8 42.326  84.652   0.437    3.01    4       31.5        5.8
  363   2   2  -8 42.35   84.7     0.437    3.01    4       18.9        2.1
  364   4   4  -4 42.367  84.733   0.437    3.01    4       17.6        1.8
  365   2   3   5 42.383  84.766   0.438    3.0     4       52.1       15.8
  366   3   3  -7 42.388  84.776   0.438    3.0     4       26.4        4.1
  367   1   4   4 42.397  84.793   0.438    3.0     4       28.6        4.7
  368   1   4  -5 42.452  84.905   0.438    3.0     4       21.6        2.7
  369   2   3  -7 42.531  85.063   0.439    2.99    4       39.5        9.0
  370   6   2   1 42.563  85.125   0.439    2.99    4       10.4        0.6
  371   3   4   2 42.573  85.146   0.439    2.99    4       18.4        2.0
  372   7   0  -7 42.588  85.176   0.439    2.99    2        8.7        0.2
  373   7   2  -2 42.688  85.377   0.44     2.98    4       19.0        2.1
  374   3   4  -5 42.703  85.406   0.44     2.98    4       33.8        6.6
  375   7   2  -5 42.818  85.637   0.441    2.97    4        9.1        0.5
  376   3   0   6 42.854  85.708   0.441    2.97    2        5.7        0.1
  377   6   2  -7 42.86   85.719   0.442    2.96    4        7.2        0.3
  378   6   1   2 42.897  85.793   0.442    2.96    4       12.1        0.8
  379   4   0   5 42.905  85.811   0.442    2.96    2       16.3        0.8
  380   4   3   3 43.059  86.118   0.443    2.95    4        8.0        0.4
  381   3   0  -9 43.132  86.265   0.444    2.94    2       21.2        1.3
  382   6   3  -1 43.236  86.472   0.445    2.94    4       31.2        5.5
  383   4   0  -9 43.252  86.503   0.445    2.94    2        5.5        0.1
  384   6   1  -8 43.268  86.535   0.445    2.93    4       34.5        6.8
  385   4   3  -7 43.306  86.613   0.445    2.93    4       17.0        1.6
  386   0   1   8 43.34   86.679   0.446    2.93    4       45.3       11.6
  387   7   1   0 43.378  86.757   0.446    2.93    4       76.2       32.9
  388   6   3  -5 43.384  86.768   0.446    2.93    4        9.1        0.5
  389   5   2   3 43.566  87.132   0.447    2.91    4        2.6        0.0
  390   1   3   6 43.655  87.31    0.448    2.91    4       20.6        2.4
  391   7   1  -7 43.681  87.362   0.448    2.91    4       64.3       23.3
  392   1   3  -7 43.735  87.471   0.449    2.9     4        4.8        0.1
  393   1   2   7 43.861  87.722   0.45     2.89    4        8.0        0.4
  394   2   0   7 43.876  87.752   0.45     2.89    2       51.5        7.4
  395   5   2  -8 43.906  87.811   0.45     2.89    4       61.2       21.0
  396   0   4   5 43.919  87.837   0.45     2.89    4        4.9        0.1
  397   3   1   6 43.947  87.893   0.45     2.89    4       46.8       12.3
  398   8   0  -4 43.951  87.902   0.451    2.89    2       19.5        1.1
  399   1   2  -8 43.954  87.907   0.451    2.89    4       49.0       13.4
  400   4   1   5 43.998  87.995   0.451    2.88    4       36.4        7.4
  401   0   5   1 44.023  88.046   0.451    2.88    4       10.4        0.6
  402   5   0   4 44.029  88.058   0.451    2.88    2        5.4        0.1
  403   2   0  -9 44.073  88.147   0.452    2.88    2       40.8        4.6
  404   1   5   0 44.147  88.295   0.452    2.88    4        8.3        0.4
  405   1   5  -1 44.154  88.307   0.452    2.87    4        7.2        0.3
  406   3   1  -9 44.224  88.449   0.453    2.87    4       25.0        3.5
  407   7   2  -1 44.266  88.533   0.453    2.87    4       20.1        2.2
  408   4   4   1 44.27   88.54    0.453    2.87    4        0.5        0.0
  409   8   0  -3 44.306  88.613   0.453    2.87    2       77.9       16.9
  410   4   1  -9 44.343  88.686   0.454    2.86    4       74.1       30.4
  411   8   0  -5 44.405  88.81    0.454    2.86    2       38.4        4.1
  412   4   4  -5 44.418  88.836   0.454    2.86    4        9.5        0.5
  413   5   0  -9 44.43   88.86    0.454    2.86    2       10.0        0.3
  414   7   2  -6 44.482  88.965   0.455    2.86    4       30.8        5.2
  415   5   4  -2 44.669  89.338   0.456    2.85    4       43.2       10.3
  416   5   4  -3 44.7    89.4     0.457    2.84    4        7.6        0.3
  417   1   5   1 44.951  89.902   0.459    2.83    4        7.8        0.3
  418   2   1   7 44.967  89.934   0.459    2.83    4       26.5        3.8
  419   1   5  -2 44.969  89.939   0.459    2.83    4        2.8        0.0


  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   1   0   0   5.516  11.031  8.01405       94.9     11.0     11.1     5.6
    2   1   0  -2   8.833  17.666  5.01636      208.9     24.1     24.4     5.6
    3   0   1   1   9.297  18.594  4.7681        52.1      6.0      6.1     5.6
    4   1   1  -1   9.699  19.397  4.57227       11.4      1.3      1.3     5.6
    5   2   0  -1   9.992  19.984  4.43938       10.0      1.2      1.2     5.6
    6   2   0   0  11.083  22.166  4.00703      119.8     13.8     13.9     5.6
    7   2   0  -2  11.148  22.297  3.98389       99.5     11.5     11.6     5.6
    8   1   1   1  11.867  23.735  3.74562       54.3      6.3      6.3     5.6
    9   2   1  -1  12.808  25.615  3.47476      232.9     26.9     27.0     5.6
   10   1   0   2  13.104  26.207  3.39762       97.9     11.3     11.4     5.6
   11   2   0   1  13.927  27.853  3.20047      145.6     16.8     16.9     5.6
   12   2   0  -3  14.032  28.064  3.17694       23.9      2.8      2.8     5.6
   13   0   0   3  14.603  29.206  3.05525       40.1      4.6      4.6     5.6
   14   3   0  -1  15.268  30.535  2.92515       15.4      1.8      1.8     5.6
   15   3   0  -2  15.304  30.608  2.91836      187.2     21.6     21.6     5.6
   16   1   1  -3  15.45   30.901  2.89138      865.4    100.0    100.0     5.6
   17   0   2   0  16.018  32.036  2.7915       317.2     36.7     36.6     5.6
   18   2   1   1  16.106  32.212  2.7766       157.8     18.2     18.2     5.6
   19   2   1  -3  16.199  32.397  2.7612        14.7      1.7      1.7     5.6
   20   0   1   3  16.702  33.405  2.68018      218.7     25.3     25.2     5.7
   21   3   0   0  16.759  33.518  2.67135      153.3     17.7     17.7     5.7
   22   1   2   0  16.99   33.979  2.63615      166.7     19.3     19.2     5.7
   23   3   1  -1  17.295  34.589  2.59105      331.8     38.3     38.2     5.7
   24   3   1  -2  17.327  34.654  2.58633        8.7      1.0      1.0     5.7
   25   2   0   2  17.758  35.516  2.52554      126.7     14.6     14.6     5.7
   26   1   0  -4  17.895  35.79   2.50679       60.2      7.0      6.9     5.7
   27   1   2  -2  18.408  36.816  2.43925      130.7     15.1     15.0     5.7
   28   3   1  -3  18.734  37.467  2.39837      218.1     25.2     25.1     5.7
   29   0   2   2  18.85   37.701  2.38405      186.1     21.5     21.4     5.7
   30   2   2  -1  19.024  38.047  2.36314       55.2      6.4      6.3     5.7
   31   1   1   3  19.616  39.231  2.29448       43.1      5.0      4.9     5.7
   32   2   2  -2  19.69   39.381  2.28614      164.6     19.0     18.9     5.7
   33   4   0  -1  20.882  41.765  2.16098      102.8     11.9     11.8     5.7
   34   1   2  -3  20.97   41.94   2.15234       67.0      7.7      7.7     5.7
   35   0   1   4  21.307  42.614  2.11984       27.1      3.1      3.1     5.7
   36   2   2   1  21.478  42.957  2.10372      198.1     22.9     22.6     5.7
   37   2   2  -3  21.551  43.102  2.09699      138.4     16.0     15.8     5.7
   38   0   2   3  21.948  43.897  2.06084      144.5     16.7     16.5     5.7
   39   2   0   3  22.158  44.315  2.04235       60.3      7.0      6.9     5.7
   40   2   0  -5  22.298  44.597  2.03009       10.2      1.2      1.2     5.7
   41   3   2  -2  22.448  44.896  2.01725       75.6      8.7      8.6     5.7
   42   4   0   0  22.611  45.221  2.00351       66.1      7.6      7.5     5.7
   43   1   0   4  22.791  45.582  1.98847       21.0      2.4      2.4     5.7
   44   1   0  -5  22.869  45.738  1.98208       14.7      1.7      1.7     5.7
   45   3   0   2  23.036  46.072  1.96846        9.5      1.1      1.1     5.7
   46   3   0  -5  23.215  46.431  1.95409       30.5      3.5      3.5     5.7
   47   3   2  -3  23.598  47.196  1.92417        9.3      1.1      1.1     5.7
   48   2   1   3  23.678  47.356  1.91804        8.9      1.0      1.0     5.7
   49   4   1   0  24.109  48.218  1.88576        9.6      1.1      1.1     5.7
   50   2   2   2  24.286  48.573  1.87281      127.4     14.7     14.5     5.7
   51   1   1  -5  24.355  48.71   1.86786       35.9      4.1      4.1     5.7
   52   2   2  -4  24.385  48.77   1.8657       176.3     20.4     20.0     5.7
   53   3   1   2  24.514  49.029  1.85645       27.8      3.2      3.2     5.7
   54   0   2   4  25.779  51.558  1.77115       29.5      3.4      3.3     5.8
   55   5   0  -2  25.817  51.634  1.76873       32.3      3.7      3.7     5.8
   56   1   3   1  26.174  52.349  1.74625       12.5      1.4      1.4     5.8
   57   0   1   5  26.249  52.497  1.74167       16.5      1.9      1.9     5.8
   58   4   2  -2  26.318  52.637  1.73738       17.9      2.1      2.0     5.8
   59   2   3  -1  26.667  53.334  1.7163        29.6      3.4      3.3     5.8
   60   4   1  -5  26.873  53.746  1.70412       71.1      8.2      8.0     5.8
   61   2   0   4  26.964  53.927  1.69881       18.3      2.1      2.1     5.8
   62   2   0  -6  27.116  54.232  1.68998       31.1      3.6      3.5     5.8
   63   5   1  -2  27.183  54.366  1.68614       34.7      4.0      3.9     5.8
   64   3   0  -6  27.43   54.859  1.67212       24.0      2.8      2.7     5.8
   65   1   0   5  28.012  56.024  1.6401        10.8      1.2      1.2     5.8
   66   1   0  -6  28.094  56.187  1.63571       88.2     10.2      9.9     5.8
   67   5   1  -1  28.13   56.259  1.63379      118.8     13.7     13.4     5.8
   68   1   3  -3  28.197  56.393  1.63023      105.6     12.2     11.9     5.8
   69   4   2   0  28.245  56.489  1.62768       41.3      4.8      4.6     5.8
   70   2   1   4  28.291  56.582  1.62524       16.7      1.9      1.9     5.8
   71   4   2  -4  28.363  56.726  1.62146      127.1     14.7     14.3     5.8
   72   1   2   4  28.399  56.798  1.61958       79.9      9.2      9.0     5.8
   73   3   2   2  28.608  57.216  1.60871       59.7      6.9      6.7     5.8
   74   4   0  -6  29.007  58.014  1.58847      161.4     18.7     18.1     5.8
   75   1   1   5  29.308  58.616  1.5736        61.0      7.1      6.8     5.8
   76   3   3  -1  29.378  58.756  1.57017       83.4      9.6      9.3     5.8
   77   5   1   0  30.0    59.999  1.54058       47.1      5.4      5.3     5.8
   78   4   1   2  30.049  60.098  1.53829       49.5      5.7      5.5     5.8
   79   0   0   6  30.28   60.561  1.52763       11.0      1.3      1.2     5.8
   80   3   3  -3  30.358  60.716  1.52409       37.2      4.3      4.2     5.8
   81   4   2  -5  30.75   61.5    1.50654       17.8      2.1      2.0     5.8
   82   5   2  -2  31.035  62.07   1.49407       19.7      2.3      2.2     5.8
   83   6   0  -4  31.863  63.725  1.45918       36.9      4.3      4.1     5.9
   84   3   0   4  31.923  63.846  1.45672       16.2      1.9      1.8     5.9
   85   5   2  -4  32.012  64.024  1.45309       93.8     10.8     10.4     5.9
   86   2   2   4  32.059  64.117  1.4512        29.1      3.4      3.2     5.9
   87   2   2  -6  32.196  64.391  1.44569       54.2      6.3      6.0     5.9
   88   3   2   3  32.294  64.589  1.44175        8.8      1.0      1.0     5.9
   89   3   2  -6  32.478  64.957  1.43446       75.7      8.7      8.4     5.9
   90   4   0   3  32.887  65.774  1.4186        17.7      2.0      2.0     5.9
   91   2   1   5  33.342  66.684  1.40143       34.3      4.0      3.8     5.9
   92   0   4   0  33.496  66.992  1.39575      235.7     27.2     26.1     5.9
   93   5   2   0  33.653  67.307  1.38998       14.3      1.7      1.6     5.9
   94   4   2   2  33.699  67.399  1.3883       143.2     16.5     15.8     5.9
   95   4   2  -6  33.913  67.826  1.3806        11.6      1.3      1.3     5.9
   96   6   1  -1  34.262  68.524  1.36822        9.7      1.1      1.1     5.9
   97   1   3   4  34.534  69.069  1.35875       25.7      3.0      2.8     5.9
   98   5   0   2  34.986  69.972  1.34342       17.4      2.0      1.9     5.9
   99   0   2   6  35.086  70.171  1.34009       30.2      3.5      3.3     5.9
  100   2   4   0  35.76   71.521  1.31808       11.4      1.3      1.2     5.9
  101   6   2  -3  36.097  72.193  1.30745       19.2      2.2      2.1     5.9
  102   5   2  -6  36.433  72.867  1.29701       12.8      1.5      1.4     6.0
  103   6   2  -2  36.482  72.964  1.29553       36.1      4.2      3.9     6.0
  104   6   2  -4  36.559  73.119  1.29317       22.3      2.6      2.4     6.0
  105   1   4   2  36.629  73.257  1.29106       15.6      1.8      1.7     6.0
  106   4   3  -5  36.667  73.333  1.28991       25.7      3.0      2.8     6.0
  107   5   3  -2  36.928  73.856  1.28206       19.4      2.2      2.1     6.0
  108   2   4   1  37.019  74.037  1.27938       14.5      1.7      1.6     6.0
  109   3   0   5  37.11   74.22   1.27667       14.5      1.7      1.6     6.0
  110   0   1   7  37.174  74.348  1.2748        20.9      2.4      2.3     6.0
  111   3   0  -8  37.36   74.72   1.26937       24.7      2.9      2.7     6.0
  112   4   2   3  37.523  75.046  1.26467       59.0      6.8      6.4     6.0
  113   4   0   4  37.589  75.178  1.26277       11.4      1.3      1.2     6.0
  114   5   3  -1  37.735  75.471  1.25859      108.2     12.5     11.8     6.0
  115   6   2  -5  37.858  75.716  1.25513       68.1      7.9      7.4     6.0
  116   2   0  -8  37.92   75.839  1.2534        19.8      2.3      2.2     6.0
  117   3   4   0  38.511  77.022  1.23707       23.9      2.8      2.6     6.0
  118   1   3   5  38.757  77.513  1.23045       27.8      3.2      3.0     6.0
  119   2   4   2  39.09   78.181  1.22161       32.6      3.8      3.5     6.0
  120   1   4  -4  39.172  78.344  1.21947       13.1      1.5      1.4     6.0
  121   5   3   0  39.365  78.729  1.21447       23.1      2.7      2.5     6.0
  122   4   3   2  39.408  78.816  1.21335       18.4      2.1      2.0     6.0
  123   6   1  -7  39.557  79.114  1.20952       32.7      3.8      3.5     6.0
  124   5   2  -7  39.8    79.6    1.20335        9.1      1.1      1.0     6.0
  125   0   2   7  40.525  81.049  1.18546       40.6      4.7      4.4     6.1
  126   4   4  -1  41.07   82.14   1.17246       15.4      1.8      1.7     6.1
  127   3   2  -8  41.806  83.612  1.15552       11.7      1.3      1.2     6.1
  128   7   2  -3  41.919  83.838  1.15298       28.8      3.3      3.1     6.1
  129   6   0  -8  42.173  84.347  1.14731       14.0      1.6      1.5     6.1
  130   4   4   0  42.267  84.535  1.14524       15.3      1.8      1.6     6.1
  131   1   4   4  42.397  84.793  1.14241       26.4      3.1      2.8     6.1
  132   2   3  -7  42.531  85.063  1.13948        9.0      1.0      1.0     6.1
  133   3   4  -5  42.703  85.406  1.13578        8.7      1.0      0.9     6.1
  134   0   1   8  43.34   86.679  1.12233       11.6      1.3      1.2     6.1
  135   7   1   0  43.378  86.757  1.12153       33.4      3.9      3.5     6.1
  136   7   1  -7  43.681  87.362  1.11531       25.7      3.0      2.7     6.2
  137   5   2  -8  43.906  87.811  1.11076       28.4      3.3      3.0     6.2
  138   1   2  -8  43.954  87.907  1.10979       26.8      3.1      2.8     6.2
  139   8   0  -3  44.306  88.613  1.10277       16.9      1.9      1.8     6.2
  140   4   1  -9  44.343  88.686  1.10205       30.4      3.5      3.2     6.2
  141   5   4  -2  44.669  89.338  1.09569       10.6      1.2      1.1     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)