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

                            ***

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

2, f-kaolinite-halloysite, sf-kaolinite

Al(2)Si(2)O(5)(OH)(4)


Triclinic  C 1  Z = 2

R =0.12

20 .11 .1992

Ref.Str.:

         Collins D.R., Catlow C.R.A. (1991)

         * Acta Cryst., B 47, 678-682

                   Initial data from BDM-file 

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

             a =   5.1554   alpha =   91.7 
             b =   8.9448   beta  =  104.86
             c =   7.4048   gamma =   89.82

    Unit cell volume (cub. angs.) =   329.89

    Molar volume ( cub.cm/mol.) =    99.35

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

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

   1 0.0501  0.3539  0.317    0.0    O     = 1.00
   2 0.1214  0.6604  0.3175   0.0    O     = 1.00
   3 0.0     0.5     0.0      0.0    O     = 1.00
   4 0.2085  0.2305  0.0247   0.0    O     = 1.00
   5 0.2012  0.7657  0.0032   0.0    O     = 1.00
   6 0.051   0.9698  0.322    0.0    OH    = 1.00
   7 0.9649  0.1665  0.6051   0.0    OH    = 1.00
   8 0.0348  0.4769  0.608    0.0    OH    = 1.00
   9 0.0334  0.857   0.6094   0.0    OH    = 1.00
  10 0.2971  0.4957  0.4721   0.0    Al    = 1.00
  11 0.7926  0.33    0.4699   0.0    Al    = 1.00
  12 0.9942  0.3393  0.0909   0.0    Si    = 1.00
  13 0.5064  0.1665  0.0913   0.0    Si    = 1.00
  14 0.1492  0.0664  0.333    0.0    H     = 1.00
  15 0.0768  0.1742  0.7363   0.0    H     = 1.00
  16 0.0353  0.5068  0.7392   0.0    H     = 1.00
  17 0.0558  0.8175  0.7374   0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0501     0.3539     0.317 
     2       2     0.1214     0.6604     0.3175
     3       3     0.0        0.5        0.0   
     4       4     0.2085     0.2305     0.0247
     5       5     0.2012     0.7657     0.0032
     6       6     0.051      0.9698     0.322 
     7       7     0.9649     0.1665     0.6051
     8       8     0.0348     0.4769     0.608 
     9       9     0.0334     0.857      0.6094
    10      10     0.2971     0.4957     0.4721
    11      11     0.7926     0.33       0.4699
    12      12     0.9942     0.3393     0.0909
    13      13     0.5064     0.1665     0.0913
    14      14     0.1492     0.0664     0.333 
    15      15     0.0768     0.1742     0.7363
    16      16     0.0353     0.5068     0.7392
    17      17     0.0558     0.8175     0.7374
    18       1     0.5501     0.8539     0.317 
    19       2     0.6214     0.1604     0.3175
    20       3     0.5        0.0        0.0   
    21       4     0.7085     0.7305     0.0247
    22       5     0.7012     0.2657     0.0032
    23       6     0.551      0.4698     0.322 
    24       7     0.4649     0.6665     0.6051
    25       8     0.5348     0.9769     0.608 
    26       9     0.5334     0.357      0.6094
    27      10     0.7971     0.9957     0.4721
    28      11     0.2926     0.83       0.4699
    29      12     0.4942     0.8393     0.0909
    30      13     0.0064     0.6665     0.0913
    31      14     0.6492     0.5664     0.333 
    32      15     0.5768     0.6742     0.7363
    33      16     0.5353     0.0068     0.7392
    34      17     0.5558     0.3175     0.7374


X-ray density (g/cm cub.)   =      2.64

MU (1/cm) =      77.799    Mass attenuation coefficient (cm**2/g) =     29.485

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

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

    1    O                   3.312       10
                                                 2.767        2
                                                 2.6746       3
                                                 2.7073       4
                                                 2.8725       7
                                                 2.4095       8
                                                 2.8122       2
                                                 2.6482       5
                                                 2.7767       6
                                                 2.7797       6
                                                 2.8507       9
    2    O                   3.312       10
                                                 2.767        1
                                                 2.6511       3
                                                 2.6639       5
                                                 2.7904       6
                                                 2.8683       8
                                                 2.871        9
                                                 2.8122       1
                                                 2.7074       4
                                                 2.7848       6
                                                 2.3944       7
    3    O                   3.312        8
                                                 2.6746       1
                                                 2.6511       2
                                                 2.6285       4
                                                 2.5931       5
                                                 2.955        8
                                                 2.5772       4
                                                 2.6091       5
                                                 3.2228       6
    4    O                   3.312        8
                                                 2.7073       1
                                                 2.6285       3
                                                 3.0751       7
                                                 2.7074       2
                                                 2.5772       3
                                                 2.6061       5
                                                 2.5978       5
                                                 3.2087       6
    5    O                   3.312        8
                                                 2.6639       2
                                                 2.5931       3
                                                 3.1904       6
                                                 2.9599       9
                                                 2.6482       1
                                                 2.6091       3
                                                 2.5978       4
                                                 2.6061       4
    6    OH                  3.36        10
                                                 2.7904       2
                                                 3.1904       5
                                                 2.8179       7
                                                 2.4046       9
                                                 2.7797       1
                                                 2.7767       1
                                                 2.7848       2
                                                 3.2228       3
                                                 3.2087       4
                                                 2.8272       8
    7    OH                  3.36         8
                                                 2.8725       1
                                                 3.0751       4
                                                 2.8179       6
                                                 2.7996       8
                                                 2.7898       9
                                                 2.3944       2
                                                 2.8006       8
                                                 2.8041       9
    8    OH                  3.36         8
                                                 2.4095       1
                                                 2.8683       2
                                                 2.955        3
                                                 2.7996       7
                                                 2.8272       6
                                                 2.8006       7
                                                 2.7798       9
                                                 2.8042       9
    9    OH                  3.36         8
                                                 2.871        2
                                                 2.9599       5
                                                 2.4046       6
                                                 2.7898       7
                                                 2.8507       1
                                                 2.8041       7
                                                 2.8042       8
                                                 2.7798       8
   10    Al                  2.364        6
                                                 1.9294       1
                                                 1.965        2
                                                 1.8918       8
                                                 1.9317       6
                                                 1.88         7
                                                 1.8673       9
   11    Al                  2.364        6
                                                 1.969        1
                                                 1.8849       7
                                                 1.8992       8
                                                 1.9364       2
                                                 1.92         6
                                                 1.898        9
   12    Si                  2.148        4
                                                 1.6257       1
                                                 1.6088       3
                                                 1.6281       4
                                                 1.6169       5
   13    Si                  2.148        4
                                                 1.5976       4
                                                 1.6297       2
                                                 1.6141       3
                                                 1.6117       5
   14    H                   1.68         1
                                                 0.9934       6
   15    H                   1.68         1
                                                 0.9951       7
   16    H                   1.68         1
                                                 0.9993       8
   17    H                   1.68         1
                                                 1.0          9

  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  6.181  12.362   0.07   169.54    2       51.3      819.1
    2   0   2   0  9.922  19.844   0.112   64.45    2       35.5      149.6
    3  -1   1   0 10.173  20.346   0.115   61.2     2       64.5      467.4
    4   1   1   0 10.214  20.428   0.115   60.69    2        6.9        5.3
    5  -1  -1   1 10.617  21.233   0.12    56.02    2       66.1      449.7
    6  -1   1   1 10.752  21.504   0.121   54.56    2       46.3      215.0
    7   0  -2   1 11.563  23.125   0.13    46.89    2       61.0      320.2
    8   0   2   1 11.882  23.763   0.134   44.3     2       42.9      149.9
    9   0   0   2 12.436  24.872   0.14    40.26    2       84.4      526.6
   10   1  -1   1 13.022  26.045   0.146   36.53    2       16.1       17.5
   11   1   1   1 13.198  26.396   0.148   35.51    2       54.8      195.9
   12  -1  -1   2 14.134  28.268   0.159   30.71    2       26.9       41.0
   13  -1   1   2 14.37   28.741   0.161   29.64    2       30.1       49.5
   14   0  -2   2 15.768  31.537   0.176   24.29    2       12.8        7.3
   15   0   2   2 16.247  32.495   0.182   22.77    2       42.1       74.1
   16  -2   0   1 17.468  34.936   0.195   19.45    2       41.7       62.2
   17  -1   3   0 17.49   34.98    0.195   19.4     2       45.0       72.2
   18   1   3   0 17.565  35.129   0.196   19.22    2       42.4       63.6
   19  -1  -3   1 17.703  35.405   0.197   18.89    2       55.0      105.0
   20   1  -1   2 17.809  35.618   0.199   18.65    2       36.9       46.7
   21  -1   3   1 17.956  35.912   0.2     18.32    2       57.6      111.6
   22   2   0   0 18.009  36.019   0.201   18.2     2       57.6      110.8
   23   1   1   2 18.05   36.1     0.201   18.11    2       27.5       25.1
   24   0   0   3 18.846  37.691   0.21    16.47    2       51.1       79.1
   25  -2   0   2 19.168  38.335   0.213   15.86    2       89.2      231.8
   26  -1  -1   3 19.232  38.465   0.214   15.75    2       26.8       20.8
   27   1  -3   1 19.259  38.519   0.214   15.7     2       86.7      216.9
   28  -1   1   3 19.514  39.028   0.217   15.25    2       31.0       27.0
   29   1   3   1 19.631  39.261   0.218   15.05    2       97.7      264.1
   30  -1  -3   2 20.006  40.011   0.222   14.43    2       31.5       26.3
   31   0   4   0 20.158  40.317   0.224   14.18    2        8.7        2.0
   32  -2  -2   1 20.195  40.391   0.224   14.13    2        5.0        0.7
   33  -2   2   1 20.303  40.607   0.225   13.96    2       18.6        8.9
   34  -1   3   2 20.526  41.053   0.228   13.62    2       29.3       21.4
   35   2   0   1 20.64   41.281   0.229   13.46    2       27.7       18.9
   36  -2   2   0 20.686  41.371   0.229   13.39    2       16.8        7.0
   37   2   2   0 20.772  41.543   0.23    13.27    2       14.6        5.2
   38   0  -4   1 20.975  41.95    0.232   12.98    2       11.0        2.9
   39   0  -2   3 21.194  42.389   0.235   12.68    2       31.1       22.6
   40   0   4   1 21.352  42.705   0.236   12.47    2       19.1        8.4
   41  -2  -2   2 21.622  43.243   0.239   12.13    2       10.5        2.4
   42   0   2   3 21.754  43.507   0.241   11.96    2       13.8        4.2
   43  -2   2   2 21.908  43.816   0.242   11.77    2       23.0       11.5
   44  -2   0   3 22.681  45.363   0.25    10.89    2       64.7       83.8
   45   1  -3   2 22.823  45.646   0.252   10.74    2       63.4       79.4
   46   2  -2   1 22.974  45.948   0.253   10.58    2       13.4        3.5
   47   2   2   1 23.229  46.457   0.256   10.32    2       39.2       29.1
   48   1   3   2 23.41   46.819   0.258   10.14    2       54.5       55.3
   49   1  -1   3 23.538  47.077   0.259   10.01    2        8.1        1.2
   50   0  -4   2 23.633  47.266   0.26     9.92    2       38.6       27.2
   51   1   1   3 23.817  47.633   0.262    9.75    2       18.6        6.2
   52  -1  -3   3 23.952  47.903   0.264    9.62    2       41.0       29.7
   53   0   4   2 24.317  48.634   0.267    9.3     2       40.0       27.4
   54  -1   3   3 24.657  49.313   0.271    9.01    2       42.1       29.3
   55  -2  -2   3 24.771  49.542   0.272    8.91    2       47.9       37.5
   56   2   0   2 24.813  49.627   0.272    8.88    2       37.0       22.4
   57  -1  -1   4 25.146  50.292   0.276    8.62    2       24.5        9.5
   58  -2   2   3 25.194  50.389   0.276    8.58    2       24.8        9.7
   59  -1   1   4 25.457  50.913   0.279    8.38    2        2.1        0.1
   60   0   0   4 25.511  51.023   0.28     8.34    2       47.4       34.4
   61   2  -2   2 26.786  53.572   0.293    7.46    2       49.3       33.4
   62  -2  -4   1 27.108  54.216   0.296    7.26    2       39.1       20.4
   63  -3  -1   1 27.154  54.308   0.296    7.23    2       15.7        3.3
   64   2   2   2 27.17   54.341   0.296    7.22    2        1.9        0.0
   65  -3   1   1 27.18   54.359   0.297    7.22    2       27.7       10.2
   66  -1   5   0 27.193  54.386   0.297    7.21    2        8.2        0.9
   67   1   5   0 27.28   54.561   0.298    7.16    2       39.9       21.0
   68  -2   4   1 27.281  54.561   0.298    7.16    2       22.3        6.5
   69  -1  -5   1 27.3    54.6     0.298    7.14    2       25.3        8.4
   70   0  -2   4 27.328  54.655   0.298    7.13    2       18.3        4.4
   71  -2   0   4 27.469  54.938   0.299    7.05    2       79.5       81.9
   72  -2   4   0 27.51   55.02    0.3      7.02    2       52.4       35.4
   73  -1   5   1 27.601  55.203   0.301    6.97    2       27.0        9.3
   74   1  -3   3 27.646  55.291   0.301    6.94    2       80.9       83.6
   75   2   4   0 27.649  55.297   0.301    6.94    2       31.7       12.8
   76   0  -4   3 27.726  55.452   0.302    6.9     2       28.2       10.1
   77  -3  -1   2 27.757  55.514   0.302    6.88    2       40.1       20.4
   78  -3   1   2 27.859  55.718   0.303    6.82    2       51.0       32.6
   79   0   2   4 27.946  55.891   0.304    6.78    2       25.2        7.9
   80  -3   1   0 28.118  56.237   0.306    6.68    2       32.1       12.7
   81   3   1   0 28.17   56.339   0.306    6.65    2       26.1        8.3
   82  -2  -4   2 28.188  56.375   0.307    6.64    2       25.5        8.0
   83   1   3   3 28.386  56.772   0.309    6.54    2       81.6       80.0
   84   1  -5   1 28.399  56.797   0.309    6.53    2       51.2       31.5
   85   0   4   3 28.641  57.282   0.311    6.41    2       25.0        7.3
   86  -2   4   2 28.658  57.317   0.311    6.4     2       32.7       12.6
   87   1   5   1 28.861  57.721   0.313    6.3     2       16.4        3.1
   88  -1  -5   2 28.918  57.837   0.314    6.27    2       25.3        7.4
   89  -1  -3   4 29.049  58.097   0.315    6.21    2       64.2       47.1
   90  -2  -2   4 29.235  58.469   0.317    6.12    2        8.5        0.8
   91   2  -4   1 29.321  58.642   0.318    6.08    2       23.9        6.4
   92  -1   5   2 29.58   59.159   0.32     5.96    2       20.7        4.7
   93   2   4   1 29.75   59.5     0.322    5.88    2       29.7        9.5
   94  -2   2   4 29.761  59.522   0.322    5.88    2       57.4       35.6
   95  -1   3   4 29.888  59.777   0.323    5.82    2       54.4       31.6
   96   1  -1   4 29.909  59.819   0.324    5.81    2       12.5        1.7
   97  -3  -1   3 29.913  59.827   0.324    5.81    2       38.6       15.9
   98   2   0   3 30.077  60.154   0.325    5.74    2       59.0       36.7
   99  -3   1   3 30.084  60.168   0.325    5.74    2       11.8        1.5
  100   1   1   4 30.219  60.437   0.327    5.68    2       25.5        6.8
  101   3  -1   1 30.577  61.155   0.33     5.53    2       27.9        7.9
  102   3   1   1 30.698  61.397   0.331    5.48    2       18.3        3.4
  103  -2  -4   3 30.774  61.549   0.332    5.45    2       26.0        6.8
  104   1  -5   2 31.096  62.192   0.335    5.33    2       21.6        4.6
  105   0   6   0 31.126  62.252   0.336    5.32    2       91.7       82.3
  106  -3  -3   1 31.132  62.264   0.336    5.32    2       93.2       84.8
  107  -3   3   1 31.203  62.405   0.336    5.29    2       93.1       84.2
  108  -2   4   3 31.507  63.013   0.339    5.18    2       27.8        7.3
  109  -3  -3   2 31.616  63.231   0.34     5.14    2       35.8       12.1
  110   0  -6   1 31.659  63.318   0.341    5.12    2       30.7        8.8
  111  -1  -1   5 31.68   63.361   0.341    5.12    2        4.1        0.2
  112   2  -2   3 31.758  63.517   0.342    5.09    2       41.0       15.7
  113   1   5   2 31.889  63.778   0.343    5.04    2       40.4       15.2
  114  -3   3   2 31.898  63.796   0.343    5.04    2       42.8       17.0
  115  -1  -5   3 31.979  63.959   0.344    5.01    2       25.6        6.0
  116  -3   3   0 31.996  63.992   0.344    5.01    2       34.5       11.0
  117  -1   1   5 32.019  64.037   0.344    5.0     2       17.4        2.8
  118   0   6   1 32.084  64.167   0.345    4.98    2       41.3       15.6
  119   3   3   0 32.138  64.277   0.345    4.96    2       37.1       12.5
  120   2   2   3 32.246  64.491   0.346    4.92    2       60.0       32.5
  121   2  -4   2 32.548  65.096   0.349    4.83    2       29.2        7.6
  122   0   0   5 32.572  65.145   0.349    4.82    2       40.5       14.5
  123   0  -4   4 32.922  65.844   0.353    4.71    2       43.8       16.6
  124  -1   5   3 32.952  65.905   0.353    4.7     2       15.8        2.1
  125  -2   0   5 33.213  66.426   0.356    4.62    2       36.9       11.5
  126   2   4   2 33.23   66.46    0.356    4.62    2       37.1       11.7
  127   1  -3   4 33.419  66.837   0.358    4.56    2       32.9        9.1
  128  -3  -1   4 33.44   66.88    0.358    4.55    2       17.0        2.4
  129  -3  -3   3 33.553  67.106   0.359    4.52    2       41.5       14.3
  130   0  -6   2 33.643  67.286   0.36     4.5     2       43.3       15.5
  131  -3   1   4 33.67   67.339   0.36     4.49    2       31.6        8.2
  132   0   4   4 34.026  68.052   0.363    4.39    2       60.1       29.1
  133  -3   3   3 34.033  68.066   0.363    4.39    2       33.6        9.1
  134   0  -2   5 34.08   68.159   0.364    4.38    2       14.2        1.6
  135   3  -3   1 34.223  68.445   0.365    4.34    2       38.4       11.8
  136   1   3   4 34.288  68.577   0.366    4.32    2       37.6       11.2
  137   3  -1   2 34.365  68.73    0.366    4.3     2       18.8        2.8
  138   0   6   2 34.464  68.928   0.367    4.28    2       29.2        6.7
  139   3   1   2 34.547  69.094   0.368    4.26    2       23.3        4.3
  140   3   3   1 34.564  69.128   0.368    4.25    2       31.0        7.5
  141  -2  -4   4 34.674  69.348   0.369    4.22    2       19.9        3.1
  142  -2  -2   5 34.737  69.473   0.37     4.21    2       51.2       20.2
  143   0   2   5 34.76   69.521   0.37     4.2     2       15.5        1.8
  144  -1  -3   5 35.055  70.111   0.373    4.13    2      102.1       79.1
  145   1  -5   3 35.091  70.182   0.373    4.12    2       21.9        3.6
  146  -2   2   5 35.351  70.703   0.376    4.06    2        5.5        0.2
  147  -2   4   4 35.632  71.265   0.378    4.0     2       18.7        2.6
  148  -1   3   5 36.017  72.035   0.382    3.92    2       98.2       69.4
  149   1   5   3 36.172  72.344   0.383    3.88    2       12.2        1.1
  150   2   0   4 36.235  72.47    0.384    3.87    2       95.7       65.1
  151  -1  -5   4 36.291  72.583   0.384    3.86    2        5.3        0.2
  152  -2  -6   1 36.599  73.199   0.387    3.8     2       57.9       23.4
  153  -2   6   1 36.819  73.638   0.389    3.75    2       53.1       19.4
  154  -3  -3   4 36.832  73.664   0.389    3.75    2       28.7        5.7
  155  -4   0   1 36.857  73.714   0.389    3.75    2       60.2       25.0
  156  -4   0   2 36.894  73.788   0.39     3.74    2       41.2       11.7
  157   1  -1   5 36.927  73.854   0.39     3.73    2       23.0        3.6
  158  -2   6   0 36.948  73.896   0.39     3.73    2       42.7       12.5
  159   0  -6   3 36.964  73.928   0.39     3.73    2       27.0        5.0
  160   2  -4   3 37.006  74.012   0.391    3.72    2       24.1        4.0
  161   2   6   0 37.125  74.251   0.392    3.7     2       40.7       11.2
  162   1   1   5 37.272  74.543   0.393    3.67    2        8.3        0.5
  163  -2  -6   2 37.456  74.912   0.395    3.64    2       65.3       28.5
  164  -3   3   4 37.49   74.981   0.395    3.63    2       33.9        7.7
  165  -1   5   4 37.54   75.079   0.396    3.62    2       27.7        5.1
  166   2  -2   4 37.711  75.422   0.397    3.59    2       29.9        5.9
  167   3  -3   2 37.764  75.527   0.398    3.58    2       33.2        7.3
  168   2   4   3 37.913  75.826   0.399    3.56    2        3.3        0.1
  169  -2   6   2 38.067  76.134   0.4      3.53    2       75.7       37.3
  170   0   6   3 38.147  76.293   0.401    3.52    2       31.1        6.3
  171  -3  -1   5 38.165  76.331   0.401    3.52    2       12.0        0.9
  172   4   0   0 38.195  76.39    0.401    3.51    2       69.6       31.3
  173   3   3   2 38.288  76.576   0.402    3.5     2       30.4        6.0
  174   2   2   4 38.293  76.587   0.402    3.5     2       23.4        3.5
  175  -4   0   3 38.305  76.611   0.402    3.49    2       45.2       13.1
  176  -3  -5   1 38.393  76.785   0.403    3.48    2       34.8        7.7
  177  -3   1   5 38.448  76.896   0.404    3.47    2       17.7        2.0
  178   2  -6   1 38.449  76.897   0.404    3.47    2       46.0       13.5
  179  -1   7   0 38.453  76.906   0.404    3.47    2       47.2       14.2
  180  -3   5   1 38.499  76.999   0.404    3.46    2       17.6        2.0
  181  -1  -7   1 38.507  77.014   0.404    3.46    2       59.6       22.6
  182   1   7   0 38.555  77.111   0.405    3.46    2       21.3        2.9
  183  -4  -2   2 38.579  77.159   0.405    3.45    2       35.7        8.1
  184  -4  -2   1 38.608  77.215   0.405    3.45    2       46.5       13.7
  185  -4   2   1 38.621  77.243   0.405    3.45    2       20.3        2.6
  186  -4   2   2 38.723  77.446   0.406    3.43    2       31.9        6.4
  187  -3  -5   2 38.768  77.536   0.406    3.42    2       51.1       16.4
  188  -1   7   1 38.86   77.721   0.407    3.41    2       38.1        9.1
  189  -1  -1   6 38.895  77.789   0.408    3.4     2       25.2        4.0
  190   2   6   1 39.014  78.028   0.409    3.39    2       46.9       13.7
  191   0  -4   5 39.086  78.172   0.409    3.38    2       38.3        9.1
  192  -3   5   0 39.16   78.319   0.41     3.37    2       28.5        5.0
  193  -3   5   2 39.199  78.399   0.41     3.36    2       45.4       12.8
  194  -1   1   6 39.269  78.539   0.411    3.35    2       26.2        4.2
  195   3  -1   3 39.328  78.656   0.411    3.34    2       39.5        9.6
  196   3   5   0 39.377  78.754   0.412    3.34    2       24.3        3.6
  197   1  -7   1 39.406  78.812   0.412    3.33    2       28.1        4.8
  198   3   1   3 39.566  79.131   0.413    3.31    2       24.2        3.6
  199  -2  -6   3 39.665  79.329   0.414    3.3     2       36.3        8.0
  200  -2  -4   5 39.739  79.479   0.415    3.29    2       25.9        4.1
  201  -1  -7   2 39.815  79.631   0.416    3.28    2       18.1        2.0
  202  -2   0   6 39.843  79.686   0.416    3.27    2       39.6        9.5
  203  -4   2   0 39.876  79.752   0.416    3.27    2       50.4       15.3
  204  -4  -2   3 39.907  79.814   0.416    3.27    2       31.1        5.8
  205   1   7   1 39.959  79.919   0.417    3.26    2       26.5        4.2
  206   4   2   0 39.991  79.983   0.417    3.26    2       19.6        2.3
  207   1  -3   5 40.08   80.159   0.418    3.24    2       39.6        9.3
  208  -4   2   3 40.178  80.356   0.419    3.23    2       20.8        2.6
  209   0   0   6 40.244  80.487   0.419    3.22    2       49.5       14.5
  210   1  -5   4 40.246  80.492   0.419    3.22    2        5.9        0.2
  211   0   4   5 40.378  80.756   0.421    3.21    2       17.1        1.7
  212  -3  -5   3 40.493  80.987   0.422    3.19    2       16.8        1.7
  213  -1   7   2 40.616  81.232   0.423    3.18    2       27.7        4.5
  214  -2   6   3 40.651  81.302   0.423    3.18    2       24.2        3.4
  215   4   0   1 40.866  81.732   0.425    3.15    2       33.8        6.6
  216  -2   4   5 40.911  81.823   0.425    3.15    2       43.2       10.8
  217  -4   0   4 41.046  82.093   0.426    3.13    2       22.3        2.9
  218   1   3   5 41.087  82.174   0.427    3.13    2       41.4        9.8
  219   3  -5   1 41.162  82.323   0.427    3.12    2       25.7        3.8
  220  -2  -2   6 41.208  82.417   0.428    3.12    2       24.7        3.5
  221  -3   5   3 41.24   82.481   0.428    3.11    2       32.2        5.9
  222   2  -6   2 41.276  82.552   0.428    3.11    2       17.2        1.7
  223  -3  -3   5 41.348  82.695   0.429    3.1     2       25.0        3.6
  224   0  -6   4 41.52   83.039   0.43     3.08    2       23.9        3.2
  225   0  -2   6 41.577  83.155   0.431    3.08    2       29.7        5.0
  226   1   5   4 41.601  83.202   0.431    3.08    2        7.7        0.3
  227   1  -7   2 41.694  83.387   0.432    3.07    2       22.6        2.9
  228   3   5   1 41.697  83.393   0.432    3.07    2       16.0        1.4
  229  -1  -5   5 41.748  83.496   0.432    3.06    2       36.1        7.3
  230  -2   2   6 41.919  83.837   0.434    3.05    2       36.8        7.6
  231  -1  -3   6 41.971  83.941   0.434    3.04    2        7.6        0.3
  232  -3   3   5 42.177  84.355   0.436    3.02    2       28.3        4.4
  233   2   6   2 42.215  84.43    0.436    3.02    2       21.0        2.4
  234   0   2   6 42.344  84.687   0.437    3.01    2       13.4        1.0
  235  -1  -7   3 42.45   84.9     0.438    3.0     2       29.2        4.7
  236   4  -2   1 42.458  84.915   0.438    3.0     2       17.3        1.7
  237   3  -3   3 42.531  85.062   0.439    2.99    2       29.7        4.8
  238  -4  -2   4 42.56   85.12    0.439    2.99    2       19.3        2.0
  239   2  -4   4 42.608  85.215   0.439    2.99    2       14.8        1.2
  240   1   7   2 42.687  85.374   0.44     2.98    2       21.6        2.6
  241   4   2   1 42.699  85.398   0.44     2.98    2       31.3        5.3
  242  -4   2   4 42.955  85.911   0.442    2.96    2       26.2        3.7
  243   0   6   4 43.051  86.101   0.443    2.95    2       22.2        2.7
  244  -1   3   6 43.075  86.15    0.443    2.95    2       15.0        1.2
  245  -2  -6   4 43.175  86.35    0.444    2.94    2       68.3       25.2
  246   3   3   3 43.232  86.465   0.445    2.94    2       22.9        2.8
  247  -1   5   5 43.27   86.541   0.445    2.93    2       16.1        1.4
  248   2   0   5 43.327  86.654   0.445    2.93    2       11.9        0.8
  249  -3  -5   4 43.535  87.069   0.447    2.92    2       22.7        2.8
  250   0   8   0 43.569  87.138   0.447    2.91    2       26.3        3.7
  251  -4  -4   2 43.666  87.331   0.448    2.91    2       23.3        2.9
  252  -1   7   3 43.687  87.374   0.448    2.9     2       25.2        3.4
  253   2   4   4 43.74   87.48    0.449    2.9     2       12.1        0.8
  254  -4  -4   1 43.757  87.514   0.449    2.9     2       24.4        3.2
  255  -4   4   1 43.783  87.567   0.449    2.9     2       26.3        3.7
  256  -4   4   2 43.946  87.893   0.45     2.89    2       26.9        3.8
  257   0  -8   1 43.98   87.96    0.451    2.89    2       22.3        2.6
  258  -3  -1   6 44.037  88.074   0.451    2.88    2        6.0        0.2
  259  -3   1   6 44.376  88.751   0.454    2.86    2       13.8        1.0
  260   3  -5   2 44.475  88.95    0.455    2.86    2       19.5        2.0
  261   0   8   1 44.488  88.976   0.455    2.86    2       11.8        0.7
  262  -2   6   4 44.529  89.059   0.455    2.85    2       61.8       20.0
  263  -3   5   4 44.592  89.184   0.456    2.85    2        7.1        0.3
  264   2  -2   5 44.683  89.366   0.456    2.84    2       30.4        4.8
  265   1  -1   6 44.798  89.595   0.457    2.84    2       17.6        1.6
  266   4   0   2 44.83   89.66    0.458    2.84    2       62.1       20.1
  267  -4  -4   3 44.903  89.807   0.458    2.83    2       22.4        2.6
  268  -4   4   0 44.95   89.899   0.459    2.83    2        6.2        0.2


  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   6.181  12.362  7.15389      819.1    100.0    100.0     5.6
    2   0   2   0   9.922  19.844  4.47038      149.6     18.3     18.2     5.6
    3  -1   1   0  10.173  20.346  4.3612       467.4     57.1     56.8     5.6
    4  -1  -1   1  10.617  21.233  4.18091      449.7     54.9     54.6     5.6
    5  -1   1   1  10.752  21.504  4.12893      215.0     26.2     26.1     5.6
    6   0  -2   1  11.563  23.125  3.843        320.2     39.1     38.8     5.6
    7   0   2   1  11.882  23.763  3.74118      149.9     18.3     18.2     5.6
    8   0   0   2  12.436  24.872  3.57694      526.6     64.3     63.8     5.6
    9   1  -1   1  13.022  26.045  3.41846       17.5      2.1      2.1     5.6
   10   1   1   1  13.198  26.396  3.37369      195.9     23.9     23.7     5.6
   11  -1  -1   2  14.134  28.268  3.15439       41.0      5.0      4.9     5.6
   12  -1   1   2  14.37   28.741  3.10358       49.5      6.0      6.0     5.6
   13   0   2   2  16.247  32.495  2.7531        74.1      9.0      8.9     5.6
   14  -1   3   0  17.49   34.98   2.56296      134.4     16.4     16.1     5.7
   15   1   3   0  17.565  35.129  2.55246       63.6      7.8      7.6     5.7
   16  -1  -3   1  17.703  35.405  2.53317      105.0     12.8     12.6     5.7
   17   1  -1   2  17.809  35.618  2.51856       46.7      5.7      5.6     5.7
   18  -1   3   1  17.956  35.912  2.49855      111.6     13.6     13.4     5.7
   19   2   0   0  18.009  36.019  2.49144      110.8     13.5     13.3     5.7
   20   1   1   2  18.05   36.1    2.48602       25.1      3.1      3.0     5.7
   21   0   0   3  18.846  37.691  2.38463       79.1      9.7      9.5     5.7
   22  -2   0   2  19.168  38.335  2.34602      231.8     28.3     27.7     5.7
   23   1  -3   1  19.259  38.519  2.33529      237.7     29.0     28.4     5.7
   24  -1   1   3  19.514  39.028  2.30597       27.0      3.3      3.2     5.7
   25   1   3   1  19.631  39.261  2.2928       264.1     32.2     31.6     5.7
   26  -1  -3   2  20.006  40.011  2.25153       26.3      3.2      3.1     5.7
   27  -2   2   1  20.303  40.607  2.21988        8.9      1.1      1.1     5.7
   28  -1   3   2  20.526  41.053  2.1968        21.4      2.6      2.6     5.7
   29   2   0   1  20.64   41.281  2.18517       18.9      2.3      2.3     5.7
   30   0  -2   3  21.194  42.389  2.13059       22.6      2.8      2.7     5.7
   31   0   4   1  21.352  42.705  2.11557        8.4      1.0      1.0     5.7
   32  -2   2   2  21.908  43.816  2.06447       11.5      1.4      1.4     5.7
   33  -2   0   3  22.681  45.363  1.99758       83.8     10.2     10.0     5.7
   34   1  -3   2  22.823  45.646  1.98585       79.4      9.7      9.4     5.7
   35   2   2   1  23.229  46.457  1.95303       29.1      3.6      3.5     5.7
   36   1   3   2  23.41   46.819  1.93878       55.3      6.8      6.6     5.7
   37   0  -4   2  23.633  47.266  1.9215        27.2      3.3      3.2     5.7
   38  -1  -3   3  23.952  47.903  1.89741       29.7      3.6      3.5     5.7
   39   0   4   2  24.317  48.634  1.87059       27.4      3.3      3.2     5.7
   40  -1   3   3  24.657  49.313  1.84641       29.3      3.6      3.5     5.7
   41  -2  -2   3  24.771  49.542  1.83841       37.5      4.6      4.4     5.7
   42   2   0   2  24.813  49.627  1.83547       22.4      2.7      2.6     5.7
   43  -1  -1   4  25.146  50.292  1.81272        9.5      1.2      1.1     5.8
   44  -2   2   3  25.194  50.389  1.80949        9.7      1.2      1.1     5.8
   45   0   0   4  25.511  51.023  1.78847       34.4      4.2      4.1     5.8
   46   2  -2   2  26.786  53.572  1.70923       33.4      4.1      3.9     5.8
   47  -2  -4   1  27.108  54.216  1.69042       20.4      2.5      2.4     5.8
   48  -3   1   1  27.18   54.359  1.68632       13.5      1.7      1.6     5.8
   49   1   5   0  27.28   54.561  1.68057       35.9      4.4      4.2     5.8
   50  -2   0   4  27.469  54.938  1.66992       81.9     10.0      9.6     5.8
   51  -2   4   0  27.51   55.02   1.66763       35.4      4.3      4.2     5.8
   52  -1   5   1  27.601  55.203  1.66253        9.3      1.1      1.1     5.8
   53   1  -3   3  27.646  55.291  1.66008       96.4     11.8     11.3     5.8
   54   0  -4   3  27.726  55.452  1.65565       10.1      1.2      1.2     5.8
   55  -3  -1   2  27.757  55.514  1.65396       20.4      2.5      2.4     5.8
   56  -3   1   2  27.859  55.718  1.64837       32.6      4.0      3.8     5.8
   57  -3   1   0  28.118  56.237  1.63439       12.7      1.5      1.5     5.8
   58   3   1   0  28.17   56.339  1.63165       16.3      2.0      1.9     5.8
   59   1   3   3  28.386  56.772  1.62023      111.5     13.6     13.1     5.8
   60  -2   4   2  28.658  57.317  1.60613       19.9      2.4      2.3     5.8
   61  -1  -3   4  29.049  58.097  1.5864        47.1      5.7      5.5     5.8
   62  -2   2   4  29.761  59.522  1.55179       45.1      5.5      5.3     5.8
   63  -1   3   4  29.888  59.777  1.54578       49.2      6.0      5.7     5.8
   64   2   0   3  30.077  60.154  1.53699       38.2      4.7      4.5     5.8
   65  -3  -3   1  31.132  62.264  1.48987      167.1     20.4     19.4     5.8
   66  -3   3   1  31.203  62.405  1.48684       84.2     10.3      9.8     5.8
   67  -3  -3   2  31.616  63.231  1.46939       12.1      1.5      1.4     5.9
   68   0  -6   1  31.659  63.318  1.46759        9.0      1.1      1.0     5.9
   69   2  -2   3  31.758  63.517  1.46347       15.7      1.9      1.8     5.9
   70  -3   3   2  31.898  63.796  1.45773       32.2      3.9      3.7     5.9
   71  -3   3   0  31.996  63.992  1.45373       19.8      2.4      2.3     5.9
   72   0   6   1  32.084  64.167  1.45019       15.6      1.9      1.8     5.9
   73   3   3   0  32.138  64.277  1.44798       12.5      1.5      1.5     5.9
   74   2   2   3  32.246  64.491  1.44369       32.5      4.0      3.8     5.9
   75   0   0   5  32.572  65.145  1.43078       22.1      2.7      2.6     5.9
   76   0  -4   4  32.922  65.844  1.41727       16.6      2.0      1.9     5.9
   77   2   4   2  33.23   66.46   1.40562       23.2      2.8      2.7     5.9
   78   1  -3   4  33.419  66.837  1.3986        11.5      1.4      1.3     5.9
   79  -3  -3   3  33.553  67.106  1.39364       14.3      1.7      1.6     5.9
   80   0  -6   2  33.643  67.286  1.39036       23.8      2.9      2.7     5.9
   81   0   4   4  34.026  68.052  1.37655       38.3      4.7      4.4     5.9
   82   3  -3   1  34.223  68.445  1.36961       11.8      1.4      1.4     5.9
   83   1   3   4  34.288  68.577  1.3673        11.2      1.4      1.3     5.9
   84   3   3   1  34.564  69.128  1.35773       11.8      1.4      1.4     5.9
   85  -2  -2   5  34.737  69.473  1.35183       22.1      2.7      2.5     5.9
   86  -1  -3   5  35.055  70.111  1.34109       79.1      9.7      9.1     5.9
   87  -1   3   5  36.017  72.035  1.30993       69.4      8.5      7.9     5.9
   88   2   0   4  36.235  72.47   1.30314       65.1      7.9      7.4     5.9
   89  -2  -6   1  36.599  73.199  1.29195       23.4      2.9      2.7     6.0
   90  -2   6   1  36.819  73.638  1.28533       25.1      3.1      2.9     6.0
   91  -4   0   1  36.857  73.714  1.28419       25.0      3.0      2.8     6.0
   92  -4   0   2  36.894  73.788  1.28308       11.7      1.4      1.3     6.0
   93  -2   6   0  36.948  73.896  1.28148       21.1      2.6      2.4     6.0
   94   2   6   0  37.125  74.251  1.27623       11.2      1.4      1.3     6.0
   95  -2  -6   2  37.456  74.912  1.26659       28.5      3.5      3.2     6.0
   96  -2   6   2  38.067  76.134  1.24928       37.3      4.5      4.2     6.0
   97   4   0   0  38.195  76.39   1.24572       31.3      3.8      3.5     6.0
   98  -4   0   3  38.305  76.611  1.24268       22.6      2.8      2.6     6.0
   99  -1   7   0  38.453  76.906  1.23864       29.7      3.6      3.4     6.0
  100  -1  -7   1  38.507  77.014  1.23718       24.6      3.0      2.8     6.0
  101  -4  -2   1  38.608  77.215  1.23445       27.3      3.3      3.1     6.0
  102  -3  -5   2  38.768  77.536  1.23014       16.4      2.0      1.9     6.0
  103  -1   7   1  38.86   77.721  1.22769        9.1      1.1      1.0     6.0
  104   2   6   1  39.014  78.028  1.22362       13.7      1.7      1.5     6.0
  105   0  -4   5  39.086  78.172  1.22172        9.1      1.1      1.0     6.0
  106  -3   5   2  39.199  78.399  1.21876       12.8      1.6      1.4     6.0
  107   3  -1   3  39.328  78.656  1.21541        9.6      1.2      1.1     6.0
  108   1  -7   1  39.406  78.812  1.21341        8.5      1.0      1.0     6.0
  109  -2   0   6  39.843  79.686  1.20227       11.4      1.4      1.3     6.0
  110  -4   2   0  39.876  79.752  1.20145       15.3      1.9      1.7     6.0
  111   1  -3   5  40.08   80.159  1.19636        9.3      1.1      1.0     6.0
  112   0   0   6  40.244  80.487  1.19231       14.7      1.8      1.7     6.0
  113  -2   4   5  40.911  81.823  1.1762        10.8      1.3      1.2     6.1
  114   1   3   5  41.087  82.174  1.17206        9.8      1.2      1.1     6.1
  115  -2  -6   4  43.175  86.35   1.12577       25.2      3.1      2.8     6.1
  116  -2   6   4  44.529  89.059  1.0984        20.0      2.4      2.2     6.2
  117   4   0   2  44.83   89.66   1.09259       20.1      2.5      2.2     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)