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       ***
                  ***********************
NEPHELINE

14, at 908'C, f-feldspathoid, sf-nepheline, DF

Na(5.64)Ca(0.36)K(1.32)Al(7.93)Si(8.07)O(32)


Hexagonal  P 6(3)  Z = 1

R =0.107          NR =490

23 .6 .1993

Ref.Str.:

         Foreman N., Peacor D.R. (1970)

         * Z. Kristallogr., 132, 45-70

Reserv:

         S.O.L.

                   Initial data from BDM-file 

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

             a =  10.2      alpha =   90.0 
             b =  10.2      beta  =   90.0 
             c =   8.49     gamma =  120.0 

    Unit cell volume (cub. angs.) =   764.96

    Molar volume ( cub.cm/mol.) =   460.76

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

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

   1 0.4447  0.9934  0.004    6.5    Na    = 0.99, Ca    = 0.01
   2 0.0     0.0     0.0247  17.1    K     = 0.78, K     = 0.0 
   3 0.6667  0.3333  0.1951   1.6    Si    = 0.3 , Al    = 0.7 
   4 0.6667  0.3333  0.8134   5.8    Si    = 0.86, Al    = 0.14
   5 0.334   0.1049  0.3095   2.7    Si    = 0.92, Al    = 0.08
   6 0.3344  0.1048  0.684    2.3    Si    = 0.18, Al    = 0.82
   7 0.6886  0.3113  0.022    8.3    O     = 0.33, O     = 0.0 
   8 0.3226  0.0489  0.5007   5.2    O     = 1.00
   9 0.5159  0.18    0.7446   4.6    O     = 1.00
  10 0.513   0.1757  0.2537   7.7    O     = 1.00
  11 0.2887  0.2423  0.3067   5.5    O     = 1.00
  12 0.2682  0.2233  0.7065   4.1    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.4447     0.9934     0.004 
     2       2     0.0        0.0        0.0247
     3       3     0.6667     0.3333     0.1951
     4       4     0.6667     0.3333     0.8134
     5       5     0.334      0.1049     0.3095
     6       6     0.3344     0.1048     0.684 
     7       7     0.6886     0.3113     0.022 
     8       8     0.3226     0.0489     0.5007
     9       9     0.5159     0.18       0.7446
    10      10     0.513      0.1757     0.2537
    11      11     0.2887     0.2423     0.3067
    12      12     0.2682     0.2233     0.7065
    13       1     0.0066     0.4513     0.004 
    14       1     0.5487     0.5553     0.004 
    15       5     0.8951     0.2291     0.3095
    16       5     0.7709     0.666      0.3095
    17       6     0.8952     0.2296     0.684 
    18       6     0.7704     0.6656     0.684 
    19       7     0.6887     0.3773     0.022 
    20       7     0.6227     0.3114     0.022 
    21       8     0.9511     0.2737     0.5007
    22       8     0.7263     0.6774     0.5007
    23       9     0.82       0.3359     0.7446
    24       9     0.6641     0.4841     0.7446
    25      10     0.8243     0.3373     0.2537
    26      10     0.6627     0.487      0.2537
    27      11     0.7577     0.0464     0.3067
    28      11     0.9536     0.7113     0.3067
    29      12     0.7767     0.0449     0.7065
    30      12     0.9551     0.7318     0.7065
    31       1     0.5553     0.0066     0.504 
    32       2     0.0        0.0        0.5247
    33       3     0.3333     0.6667     0.6951
    34       4     0.3333     0.6667     0.3134
    35       5     0.666      0.8951     0.8095
    36       6     0.6656     0.8952     0.184 
    37       7     0.3114     0.6887     0.522 
    38       8     0.6774     0.9511     0.0007
    39       9     0.4841     0.82       0.2446
    40      10     0.487      0.8243     0.7537
    41      11     0.7113     0.7577     0.8067
    42      12     0.7318     0.7767     0.2065
    43       1     0.9934     0.5487     0.504 
    44       1     0.4513     0.4447     0.504 
    45       5     0.1049     0.7709     0.8095
    46       5     0.2291     0.334      0.8095
    47       6     0.1048     0.7704     0.184 
    48       6     0.2296     0.3344     0.184 
    49       7     0.3113     0.6227     0.522 
    50       7     0.3773     0.6886     0.522 
    51       8     0.0489     0.7263     0.0007
    52       8     0.2737     0.3226     0.0007
    53       9     0.18       0.6641     0.2446
    54       9     0.3359     0.5159     0.2446
    55      10     0.1757     0.6627     0.7537
    56      10     0.3373     0.513      0.7537
    57      11     0.2423     0.9536     0.8067
    58      11     0.0464     0.2887     0.8067
    59      12     0.2233     0.9551     0.2065
    60      12     0.0449     0.2682     0.2065


X-ray density (g/cm cub.)   =      2.5 

MU (1/cm) =      94.56     Mass attenuation coefficient (cm**2/g) =     37.778

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

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

    1   Na   ,Ca             2.88         7
                                                 2.7601       9
                                                 2.6724      10
                                                 2.8199       7
                                                 2.6162       8
                                                 2.8589       9
                                                 2.5288      11
                                                 2.7067      12
    2   K    ,K              3.228        6
                                                 3.0784       8
                                                 2.9703      12
                                                 3.0783       8
                                                 3.0784       8
                                                 2.9703      12
                                                 2.9704      12
    3   Si   ,Al             2.316        6
                                                 1.5201       7
                                                 1.6641      10
                                                 1.5201       7
                                                 1.5201       7
                                                 1.6641      10
                                                 1.6641      10
    4   Si   ,Al             2.316        6
                                                 1.8131       7
                                                 1.6574       9
                                                 1.8131       7
                                                 1.8131       7
                                                 1.6574       9
                                                 1.6574       9
    5   Si   ,Al             2.316        4
                                                 1.7054       8
                                                 1.6616      10
                                                 1.681       11
                                                 1.6275      12
    6   Si   ,Al             2.316        4
                                                 1.641        8
                                                 1.6913       9
                                                 1.6642      12
                                                 1.7021      11
    7   O    ,O              3.264        8
                                                 2.8433       9
                                                 2.5521      10
                                                 0.6726       7
                                                 0.6726       7
                                                 2.6589       9
                                                 3.0259       9
                                                 2.3428      10
                                                 2.7612      10
    8    O                   3.264        6
                                                 2.7068       9
                                                 2.7074      10
                                                 2.7214      11
                                                 2.7408      12
                                                 2.7511      11
                                                 2.6853      12
    9    O                   3.264        8
                                                 2.8433       7
                                                 2.7068       8
                                                 2.7927      12
                                                 3.0259       7
                                                 2.6589       7
                                                 2.6865       9
                                                 2.6865       9
                                                 2.6371      11
   10    O                   3.264        8
                                                 2.5521       7
                                                 2.7074       8
                                                 2.7299      11
                                                 2.7612       7
                                                 2.3428       7
                                                 2.7505      10
                                                 2.7505      10
                                                 2.703       12
   11    O                   3.264        6
                                                 2.7214       8
                                                 2.7299      10
                                                 2.7512       8
                                                 2.6371       9
                                                 2.7921      12
                                                 2.7631      12
   12    O                   3.264        6
                                                 2.7408       8
                                                 2.7927       9
                                                 2.6853       8
                                                 2.7031      10
                                                 2.7629      11
                                                 2.7923      11

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

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

    1   1   0   0  5.003  10.005   0.057  260.04    6        3.3        2.9
    2   1   0   1  7.229  14.458   0.082  123.34   12        3.0        2.3
    3   1   1   0  8.687  17.374   0.098   84.74    6       18.9       30.9
    4   2   0   0 10.044  20.088   0.113   62.84    6       55.9      201.4
    5   1   1   1 10.148  20.296   0.114   61.51   12       18.0       40.9
    6   0   0   2 10.455  20.909   0.118   57.83    2      143.5      407.3
    7   2   0   1 11.338  22.675   0.128   48.86   12       79.9      639.0
    8   1   0   2 11.614  23.228   0.131   46.46   12       13.6       17.6
    9   1   2   0 13.339  26.678   0.15    34.72    6       87.2      270.4
   10   2   1   0 13.339  26.678   0.15    34.72    6       51.9       96.1
   11   1   1   2 13.656  27.312   0.153   33.04   12        8.7        5.1
   12   1   2   1 14.354  28.708   0.161   29.72   12       15.1       13.9
   13   2   1   1 14.354  28.708   0.161   29.72   12       33.4       68.1
   14   2   0   2 14.577  29.154   0.163   28.75   12      108.9      699.8
   15   3   0   0 15.165  30.33    0.17    26.42    6       86.2      201.2
   16   3   0   1 16.075  32.149   0.18    23.3    12        8.3        3.3
   17   1   0   3 16.607  33.215   0.186   21.72   12        7.5        2.5
   18   1   2   2 17.069  34.138   0.191   20.46   12       43.9       80.9
   19   2   1   2 17.069  34.138   0.191   20.46   12       28.4       33.9
   20   2   2   0 17.582  35.164   0.196   19.18    6       88.3      153.4
   21   1   1   3 18.136  36.273   0.202   17.92   12       16.3        9.8
   22   1   3   0 18.325  36.65    0.204   17.52    6        3.8        0.3
   23   3   1   0 18.325  36.65    0.204   17.52    6       63.5       72.3
   24   2   2   1 18.385  36.77    0.205   17.39   12       14.7        7.8
   25   3   0   2 18.565  37.129   0.207   17.02   12        7.3        1.9
   26   2   0   3 18.86   37.721   0.21    16.44   12       91.4      281.3
   27   1   3   1 19.101  38.202   0.212   15.99   12       58.1      110.7
   28   3   1   1 19.101  38.202   0.212   15.99   12       38.9       49.6
   29   4   0   0 20.414  40.828   0.226   13.79    6       34.1       16.4
   30   2   2   2 20.633  41.266   0.229   13.47   12        6.7        1.2
   31   1   2   3 20.904  41.808   0.232   13.08   12       22.3       13.3
   32   2   1   3 20.904  41.808   0.232   13.08   12       26.5       18.8
   33   4   0   1 21.125  42.25    0.234   12.78   12       20.0       10.4
   34   0   0   4 21.279  42.558   0.236   12.57    2      128.4       70.9
   35   1   3   2 21.285  42.57    0.236   12.56   12       37.4       35.9
   36   3   1   2 21.285  42.57    0.236   12.56   12       19.3        9.6
   37   1   0   4 21.916  43.831   0.242   11.76   12       15.6        5.9
   38   3   0   3 22.18   44.36    0.245   11.45   12        4.9        0.6
   39   2   3   0 22.34   44.679   0.247   11.27    6       56.2       36.5
   40   3   2   0 22.34   44.679   0.247   11.27    6        9.0        0.9
   41   2   3   1 23.003  46.006   0.254   10.55   12       16.4        5.8
   42   3   2   1 23.003  46.006   0.254   10.55   12       45.3       44.5
   43   1   1   4 23.147  46.293   0.255   10.4    12        2.0        0.1
   44   4   0   2 23.152  46.305   0.255   10.39   12       22.8       11.1
   45   1   4   0 23.553  47.107   0.259   10.0     6       33.9       11.8
   46   4   1   0 23.553  47.107   0.259   10.0     6        2.1        0.0
   47   2   0   4 23.743  47.487   0.261    9.82   12       17.4        6.1
   48   2   2   3 23.992  47.984   0.264    9.59   12        2.5        0.1
   49   1   4   1 24.191  48.381   0.266    9.41   12        4.1        0.3
   50   4   1   1 24.191  48.381   0.266    9.41   12       12.4        2.9
   51   1   3   3 24.573  49.146   0.27     9.08   12       14.1        3.7
   52   3   1   3 24.573  49.146   0.27     9.08   12        7.5        1.1
   53   2   3   2 24.91   49.819   0.273    8.8    12       38.7       27.1
   54   3   2   2 24.91   49.819   0.273    8.8    12        5.9        0.6
   55   1   2   4 25.47   50.94    0.279    8.37   12       22.9        9.0
   56   2   1   4 25.47   50.94    0.279    8.37   12       11.5        2.3
   57   5   0   0 25.849  51.698   0.283    8.09    6       39.0       12.6
   58   1   4   2 26.032  52.064   0.285    7.96   12       26.5       11.4
   59   4   1   2 26.032  52.064   0.285    7.96   12        5.5        0.5
   60   4   0   3 26.259  52.518   0.287    7.81   12       44.7       32.0
   61   5   0   1 26.445  52.89    0.289    7.68   12       44.7       31.5
   62   3   0   4 26.575  53.15    0.29     7.6    12       12.6        2.5
   63   3   3   0 26.943  53.886   0.294    7.36    6       38.1       11.0
   64   2   4   0 27.479  54.958   0.3      7.04    6       28.4        5.8
   65   4   2   0 27.479  54.958   0.3      7.04    6       44.3       14.1
   66   1   0   5 27.513  55.025   0.3      7.02   12        4.4        0.3
   67   3   3   1 27.523  55.045   0.3      7.01   12       12.5        2.3
   68   2   3   3 27.872  55.744   0.303    6.82   12       17.6        4.3
   69   3   2   3 27.872  55.744   0.303    6.82   12       52.5       38.5
   70   2   4   1 28.051  56.102   0.305    6.72   12       15.2        3.2
   71   4   2   1 28.051  56.102   0.305    6.72   12       15.9        3.5
   72   2   2   4 28.176  56.351   0.306    6.65   12        4.2        0.2
   73   5   0   2 28.181  56.361   0.307    6.65   12       33.4       15.2
   74   1   1   5 28.563  57.126   0.31     6.45   12       20.4        5.5
   75   1   3   4 28.696  57.392   0.312    6.38   12       14.1        2.6
   76   3   1   4 28.696  57.392   0.312    6.38   12        7.2        0.7
   77   1   4   3 28.914  57.828   0.314    6.27   12       49.7       31.8
   78   4   1   3 28.914  57.828   0.314    6.27   12       44.4       25.4
   79   1   5   0 29.046  58.092   0.315    6.21    6       23.8        3.6
   80   5   1   0 29.046  58.092   0.315    6.21    6       59.0       22.2
   81   2   0   5 29.079  58.157   0.315    6.19   12       85.3       92.4
   82   3   3   2 29.215  58.43    0.317    6.13   12       22.0        6.1
   83   1   5   1 29.598  59.196   0.321    5.95   12       19.6        4.7
   84   5   1   1 29.598  59.196   0.321    5.95   12       28.8       10.1
   85   2   4   2 29.724  59.447   0.322    5.89   12        8.6        0.9
   86   4   2   2 29.724  59.447   0.322    5.89   12       31.5       12.0
   87   4   0   4 30.222  60.445   0.327    5.68   12       21.5        5.4
   88   1   2   5 30.593  61.186   0.33     5.53   12        8.7        0.9
   89   2   1   5 30.593  61.186   0.33     5.53   12       14.1        2.2
   90   5   0   3 30.93   61.859   0.334    5.39   12       45.8       23.3
   91   1   5   2 31.219  62.438   0.336    5.28   12       29.4        9.3
   92   5   1   2 31.219  62.438   0.336    5.28   12       33.2       11.9
   93   6   0   0 31.547  63.095   0.34     5.16    6       25.3        3.4
   94   3   0   5 31.578  63.157   0.34     5.15   12        7.0        0.5
   95   2   3   4 31.704  63.407   0.341    5.11   12       10.7        1.2
   96   3   2   4 31.704  63.407   0.341    5.11   12       13.5        1.9
   97   3   3   3 31.909  63.818   0.343    5.04   12       70.5       51.3
   98   3   4   0 32.034  64.067   0.344    4.99    6       10.2        0.5
   99   4   3   0 32.034  64.067   0.344    4.99    6        2.6        0.0
  100   6   0   1 32.074  64.147   0.345    4.98   12       10.4        1.1
  101   2   4   3 32.393  64.785   0.348    4.88   12        9.7        0.9
  102   4   2   3 32.393  64.785   0.348    4.88   12        8.5        0.7
  103   3   4   1 32.556  65.112   0.349    4.82   12       13.3        1.7
  104   4   3   1 32.556  65.112   0.349    4.82   12       17.8        3.1
  105   1   4   4 32.67   65.34    0.35     4.79   12        8.0        0.6
  106   4   1   4 32.67   65.34    0.35     4.79   12        4.8        0.2
  107   0   0   6 32.981  65.963   0.353    4.69    2       77.8        9.7
  108   2   5   0 32.995  65.99    0.353    4.69    6       73.1       25.7
  109   5   2   0 32.995  65.99    0.353    4.69    6       98.8       46.9
  110   2   2   5 33.025  66.051   0.354    4.68   12       10.1        1.0
  111   1   0   6 33.457  66.914   0.358    4.55   12        6.6        0.4
  112   1   3   5 33.5    67.001   0.358    4.54   12       47.9       21.4
  113   3   1   5 33.5    67.001   0.358    4.54   12       26.0        6.3
  114   2   5   1 33.509  67.019   0.358    4.53   12        5.8        0.3
  115   5   2   1 33.509  67.019   0.358    4.53   12        1.4        0.0
  116   6   0   2 33.626  67.253   0.359    4.5    12       14.1        1.8
  117   1   5   3 33.821  67.642   0.361    4.45   12        3.6        0.1
  118   5   1   3 33.821  67.642   0.361    4.45   12       27.1        6.7
  119   3   4   2 34.097  68.194   0.364    4.37   12       28.5        7.3
  120   4   3   2 34.097  68.194   0.364    4.37   12        4.9        0.2
  121   1   1   6 34.398  68.795   0.367    4.29   12       23.2        4.8
  122   5   0   4 34.56   69.121   0.368    4.25   12        2.3        0.0
  123   2   0   6 34.863  69.727   0.371    4.18   12       14.7        1.9
  124   1   6   0 34.877  69.753   0.371    4.17    6        0.5        0.0
  125   6   1   0 34.877  69.753   0.371    4.17    6       21.9        2.1
  126   4   0   5 34.906  69.812   0.371    4.17   12       32.7        9.1
  127   2   5   2 35.03   70.059   0.373    4.14   12       28.5        6.9
  128   5   2   2 35.03   70.059   0.373    4.14   12       46.4       18.2
  129   1   6   1 35.378  70.755   0.376    4.06   12        4.2        0.1
  130   6   1   1 35.378  70.755   0.376    4.06   12       10.4        0.9
  131   3   3   4 35.488  70.975   0.377    4.03   12        9.2        0.7
  132   2   4   4 35.947  71.894   0.381    3.93   12       11.8        1.1
  133   4   2   4 35.947  71.894   0.381    3.93   12        9.1        0.7
  134   6   0   3 36.14   72.281   0.383    3.89   12        7.9        0.5
  135   1   2   6 36.245  72.49    0.384    3.87   12       17.1        2.3
  136   2   1   6 36.245  72.49    0.384    3.87   12        7.4        0.4
  137   2   3   5 36.287  72.574   0.384    3.86   12       19.5        3.0
  138   3   2   5 36.287  72.574   0.384    3.86   12       54.0       23.1
  139   3   4   3 36.597  73.193   0.387    3.8    12       30.6        7.3
  140   4   3   3 36.597  73.193   0.387    3.8    12       23.3        4.2
  141   1   6   2 36.864  73.727   0.389    3.75   12        7.4        0.4
  142   6   1   2 36.864  73.727   0.389    3.75   12       25.3        4.9
  143   3   0   6 37.154  74.308   0.392    3.69   12       27.0        5.5
  144   4   4   0 37.167  74.334   0.392    3.69    6        8.2        0.3
  145   1   4   5 37.196  74.392   0.392    3.68   12       20.9        3.3
  146   4   1   5 37.196  74.392   0.392    3.68   12       12.8        1.2
  147   1   5   4 37.312  74.624   0.393    3.66   12       14.1        1.5
  148   5   1   4 37.312  74.624   0.393    3.66   12        9.9        0.7
  149   2   5   3 37.503  75.005   0.395    3.63   12       14.1        1.5
  150   5   2   3 37.503  75.005   0.395    3.63   12        4.4        0.1
  151   3   5   0 37.619  75.237   0.396    3.61    6       48.7        8.8
  152   5   3   0 37.619  75.237   0.396    3.61    6       47.8        8.5
  153   7   0   0 37.619  75.237   0.396    3.61    6       33.6        4.2
  154   4   4   1 37.656  75.312   0.397    3.6    12       13.3        1.3
  155   3   5   1 38.105  76.21    0.401    3.53   12       13.2        1.3
  156   5   3   1 38.105  76.21    0.401    3.53   12       20.9        3.2
  157   7   0   1 38.105  76.21    0.401    3.53   12       24.4        4.3
  158   2   2   6 38.503  77.007   0.404    3.46   12       41.8       12.4
  159   1   3   6 38.95   77.9     0.408    3.4    12       35.0        8.6
  160   3   1   6 38.95   77.9     0.408    3.4    12       36.0        9.0
  161   2   6   0 38.962  77.925   0.408    3.39    6       18.0        1.1
  162   6   2   0 38.962  77.925   0.408    3.39    6       25.1        2.2
  163   5   0   5 38.991  77.981   0.408    3.39   12       52.7       19.3
  164   4   4   2 39.109  78.219   0.409    3.37   12        3.4        0.1
  165   1   6   3 39.293  78.586   0.411    3.35   12       10.3        0.7
  166   6   1   3 39.293  78.586   0.411    3.35   12        6.1        0.3
  167   2   6   1 39.444  78.888   0.412    3.33   12       10.1        0.7
  168   6   2   1 39.444  78.888   0.412    3.33   12        8.2        0.5
  169   6   0   4 39.55   79.099   0.413    3.31   12       13.7        1.3
  170   3   5   2 39.554  79.108   0.413    3.31   12       24.5        4.1
  171   5   3   2 39.554  79.108   0.413    3.31   12       47.4       15.2
  172   7   0   2 39.554  79.108   0.413    3.31   12       41.4       11.6
  173   1   0   7 39.87   79.741   0.416    3.27   12        4.9        0.2
  174   3   3   5 39.879  79.758   0.416    3.27   12       38.6       10.0
  175   3   4   4 39.993  79.985   0.417    3.26   12       11.7        0.9
  176   4   3   4 39.993  79.985   0.417    3.26   12        5.3        0.2
  177   4   0   6 40.28   80.561   0.42     3.22   12        2.2        0.0
  178   2   4   5 40.321  80.642   0.42     3.22   12       16.0        1.7
  179   4   2   5 40.321  80.642   0.42     3.22   12        8.3        0.5
  180   1   1   7 40.754  81.507   0.424    3.17   12        3.0        0.1
  181   2   5   4 40.875  81.75    0.425    3.15   12        9.4        0.6
  182   5   2   4 40.875  81.75    0.425    3.15   12       15.3        1.5
  183   2   6   2 40.879  81.759   0.425    3.15   12        6.8        0.3
  184   6   2   2 40.879  81.759   0.425    3.15   12       14.5        1.4
  185   1   7   0 41.174  82.348   0.427    3.12    6       10.0        0.3
  186   7   1   0 41.174  82.348   0.427    3.12    6        2.9        0.0
  187   2   0   7 41.194  82.387   0.428    3.12   12       22.5        3.2
  188   4   4   3 41.5    83.001   0.43     3.09   12       33.7        7.2
  189   2   3   6 41.601  83.201   0.431    3.08   12       12.7        1.0
  190   3   2   6 41.601  83.201   0.431    3.08   12       12.8        1.0
  191   1   5   5 41.641  83.282   0.431    3.07   12       16.5        1.7
  192   5   1   5 41.641  83.282   0.431    3.07   12       32.2        6.5
  193   1   7   1 41.649  83.299   0.431    3.07   12        2.8        0.0
  194   7   1   1 41.649  83.299   0.431    3.07   12        3.1        0.1
  195   3   5   3 41.939  83.878   0.434    3.04   12       13.9        1.2
  196   5   3   3 41.939  83.878   0.434    3.04   12        1.8        0.0
  197   7   0   3 41.939  83.878   0.434    3.04   12       46.4       13.4
  198   1   4   6 42.477  84.953   0.438    3.0    12       10.8        0.7
  199   4   1   6 42.477  84.953   0.438    3.0    12        7.1        0.3
  200   1   2   7 42.509  85.017   0.439    2.99   12        9.6        0.6
  201   2   1   7 42.509  85.017   0.439    2.99   12        7.9        0.4
  202   1   6   4 42.629  85.259   0.44     2.98   12       10.6        0.7
  203   6   1   4 42.629  85.259   0.44     2.98   12        4.0        0.1
  204   4   5   0 42.926  85.852   0.442    2.96    6        7.6        0.2
  205   5   4   0 42.926  85.852   0.442    2.96    6       19.9        1.2
  206   1   7   2 43.07   86.141   0.443    2.95   12       17.0        1.7
  207   7   1   2 43.07   86.141   0.443    2.95   12        3.4        0.1
  208   2   6   3 43.251  86.501   0.445    2.94   12       11.7        0.8
  209   6   2   3 43.251  86.501   0.445    2.94   12        7.8        0.4
  210   3   0   7 43.382  86.765   0.446    2.93   12        1.6        0.0
  211   4   5   1 43.399  86.798   0.446    2.92   12        7.0        0.3
  212   5   4   1 43.399  86.798   0.446    2.92   12       13.2        1.0
  213   3   6   0 43.799  87.598   0.449    2.9     6        7.7        0.2
  214   6   3   0 43.799  87.598   0.449    2.9     6        6.8        0.1
  215   6   0   5 43.827  87.654   0.449    2.9    12       11.2        0.7
  216   5   0   6 44.223  88.445   0.453    2.87   12       12.2        0.9
  217   8   0   0 44.235  88.47    0.453    2.87    6        3.3        0.0
  218   3   4   5 44.263  88.525   0.453    2.87   12       21.6        2.7
  219   4   3   5 44.263  88.525   0.453    2.87   12       23.5        3.2
  220   3   6   1 44.271  88.542   0.453    2.87   12        9.3        0.5
  221   6   3   1 44.271  88.542   0.453    2.87   12        5.1        0.2
  222   2   2   7 44.69   89.38    0.457    2.84   12        4.1        0.1
  223   8   0   1 44.707  89.413   0.457    2.84   12        3.7        0.1
  224   4   4   4 44.81   89.621   0.457    2.84   12        6.3        0.2
  225   4   5   2 44.815  89.629   0.458    2.84   12        5.2        0.2
  226   5   4   2 44.815  89.629   0.458    2.84   12       24.3        3.4


  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   1   0   8.687  17.374  5.1           30.9      4.4      4.5     5.6
    2   2   0   0  10.044  20.088  4.41673      201.4     28.8     29.0     5.6
    3   1   1   1  10.148  20.296  4.37185       40.9      5.8      5.9     5.6
    4   0   0   2  10.455  20.909  4.245        407.3     58.2     58.6     5.6
    5   2   0   1  11.338  22.675  3.91823      639.0     91.3     91.8     5.6
    6   1   0   2  11.614  23.228  3.82613       17.6      2.5      2.5     5.6
    7   1   2   0  13.339  26.678  3.33873      366.5     52.4     52.5     5.6
    8   2   1   1  14.354  28.708  3.10711       82.0     11.7     11.7     5.6
    9   2   0   2  14.577  29.154  3.06058      699.8    100.0    100.0     5.6
   10   3   0   0  15.165  30.33   2.94449      201.2     28.7     28.7     5.6
   11   1   2   2  17.069  34.138  2.62429      114.8     16.4     16.3     5.7
   12   2   2   0  17.582  35.164  2.55         153.4     21.9     21.8     5.7
   13   1   1   3  18.136  36.273  2.47455        9.8      1.4      1.4     5.7
   14   3   1   0  18.325  36.65   2.44996       72.3     10.3     10.3     5.7
   15   2   2   1  18.385  36.77   2.44222        7.8      1.1      1.1     5.7
   16   2   0   3  18.86   37.721  2.38282      281.3     40.2     39.9     5.7
   17   1   3   1  19.101  38.202  2.35391      160.2     22.9     22.7     5.7
   18   4   0   0  20.414  40.828  2.20836       16.4      2.4      2.3     5.7
   19   2   1   3  20.904  41.808  2.15881       32.1      4.6      4.5     5.7
   20   4   0   1  21.125  42.25   2.13725       10.4      1.5      1.5     5.7
   21   0   0   4  21.279  42.558  2.1225       116.4     16.6     16.4     5.7
   22   2   3   0  22.34   44.679  2.02653       37.5      5.4      5.3     5.7
   23   3   2   1  23.003  46.006  1.97116       50.3      7.2      7.1     5.7
   24   4   0   2  23.152  46.305  1.95912       11.1      1.6      1.6     5.7
   25   1   4   0  23.553  47.107  1.92762       11.8      1.7      1.7     5.7
   26   2   3   2  24.91   49.819  1.82882       27.7      4.0      3.9     5.7
   27   1   2   4  25.47   50.94   1.79119       11.2      1.6      1.6     5.8
   28   5   0   0  25.849  51.698  1.76669       12.6      1.8      1.8     5.8
   29   1   4   2  26.032  52.064  1.75514       11.9      1.7      1.7     5.8
   30   4   0   3  26.259  52.518  1.74101       32.0      4.6      4.5     5.8
   31   5   0   1  26.445  52.89   1.72964       31.5      4.5      4.4     5.8
   32   3   3   0  26.943  53.886  1.7           11.0      1.6      1.5     5.8
   33   4   2   0  27.479  54.958  1.66937       20.0      2.9      2.8     5.8
   34   3   2   3  27.872  55.744  1.64765       42.8      6.1      5.9     5.8
   35   5   0   2  28.181  56.361  1.63107       15.2      2.2      2.1     5.8
   36   1   4   3  28.914  57.828  1.59316       57.2      8.2      7.9     5.8
   37   5   1   0  29.046  58.092  1.58654       25.8      3.7      3.6     5.8
   38   2   0   5  29.079  58.157  1.58491       92.4     13.2     12.8     5.8
   39   5   1   1  29.598  59.196  1.55954       14.8      2.1      2.0     5.8
   40   4   2   2  29.724  59.447  1.55356       12.0      1.7      1.7     5.8
   41   5   0   3  30.93   61.859  1.49864       23.3      3.3      3.2     5.8
   42   5   1   2  31.219  62.438  1.48613       21.3      3.0      2.9     5.8
   43   3   3   3  31.909  63.818  1.45728       51.3      7.3      7.0     5.9
   44   5   2   0  32.995  65.99   1.41449       82.3     11.8     11.3     5.9
   45   1   3   5  33.5    67.001  1.39558       28.0      4.0      3.8     5.9
   46   3   4   2  34.097  68.194  1.37403        7.5      1.1      1.0     5.9
   47   4   0   5  34.906  69.812  1.34609       13.0      1.9      1.8     5.9
   48   5   2   2  35.03   70.059  1.34195       25.1      3.6      3.4     5.9
   49   3   2   5  36.287  72.574  1.30152       26.1      3.7      3.5     6.0
   50   3   4   3  36.597  73.193  1.29203       11.5      1.6      1.6     6.0
   51   3   5   0  37.619  75.237  1.26192       21.4      3.1      2.9     6.0
   52   7   0   1  38.105  76.21   1.24821        8.7      1.2      1.2     6.0
   53   2   2   6  38.503  77.007  1.23728       12.4      1.8      1.7     6.0
   54   3   1   6  38.95   77.9    1.22531       20.9      3.0      2.8     6.0
   55   5   0   5  38.991  77.981  1.22423       19.3      2.8      2.6     6.0
   56   7   0   2  39.554  79.108  1.20961       32.2      4.6      4.3     6.0
   57   3   3   5  39.879  79.758  1.20137       10.0      1.4      1.3     6.0
   58   4   4   3  41.5    83.001  1.16247        7.2      1.0      0.9     6.1
   59   5   1   5  41.641  83.282  1.15925        8.4      1.2      1.1     6.1
   60   7   0   3  41.939  83.878  1.15253       14.7      2.1      1.9     6.1

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)