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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SERPENTINE

1, Al

Mg(2.0)Al(0.6)(Fe,Ca,K)(0.1)[Si(1.4)Al(0.6)]O(4.6)(OH)(4.4)


Hexagonal  P 31c  Z = 1

R =0.102          NR =144

15 .8 .1991

Ref.Str.:

         Jahanbagloo I.C., Zoltai T. (1968)

         * Amer. Mineral., 53, 14-24

                   Initial data from BDM-file 

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

             a =   5.295    alpha =   90.0 
             b =   5.295    beta  =   90.0 
             c =  63.99     gamma =  120.0 

    Unit cell volume (cub. angs.) =  1553.73

    Molar volume ( cub.cm/mol.) =   935.87

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

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

   1 0.46    0.0     0.0      2.35   O     = 1.00
   2 0.3333  0.6667  0.009    1.25   Si    = 0.7 , Al    = 0.3 
   3 0.3333  0.6667  0.0353   2.65   O     = 1.00
   4 0.0     0.0     0.0353   2.65   OH    = 1.00
   5 0.6667  0.0     0.0513   1.55   Mg    = 0.8 , Al    = 0.2 
   6 0.3333  0.0     0.067    2.74   OH    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.46       0.0        0.0   
     2       2     0.3333     0.6667     0.009 
     3       3     0.3333     0.6667     0.0353
     4       4     0.0        0.0        0.0353
     5       5     0.6667     0.0        0.0513
     6       6     0.3333     0.0        0.067 
     7       1     0.0        0.46       0.0   
     8       1     0.54       0.54       0.0   
     9       5     0.0        0.6667     0.0513
    10       5     0.3333     0.3333     0.0513
    11       6     0.0        0.3333     0.067 
    12       6     0.6667     0.6667     0.067 
    13       1     0.0        0.46       0.5   
    14       2     0.6667     0.3333     0.509 
    15       3     0.6667     0.3333     0.5353
    16       4     0.0        0.0        0.5353
    17       5     0.0        0.6667     0.5513
    18       6     0.0        0.3333     0.567 
    19       1     0.46       0.0        0.5   
    20       1     0.54       0.54       0.5   
    21       5     0.6667     0.0        0.5513
    22       5     0.3333     0.3333     0.5513
    23       6     0.3333     0.0        0.567 
    24       6     0.6667     0.6667     0.567 


X-ray density (g/cm cub.)   =      0.5 

MU (1/cm) =      13.123    Mass attenuation coefficient (cm**2/g) =     26.212

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

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

    1    O                   3.312        5
                                                 2.7356       3
                                                 2.6728       1
                                                 2.6728       1
                                                 2.6728       1
                                                 2.6728       1
    2   Si   ,Al             2.364        4
                                                 1.6471       1
                                                 1.6829       3
                                                 1.6471       1
                                                 1.6472       1
    3    O                   3.312        9
                                                 2.7356       1
                                                 3.0571       4
                                                 3.057        4
                                                 3.0571       4
                                                 2.6888       6
                                                 2.7356       1
                                                 2.7357       1
                                                 2.6889       6
                                                 2.6889       6
    4    OH                  3.36         9
                                                 3.3219       1
                                                 3.0571       3
                                                 3.057        3
                                                 3.0571       3
                                                 2.6888       6
                                                 3.3219       1
                                                 3.3219       1
                                                 2.6888       6
                                                 2.6888       6
    5   Mg   ,Al             2.568        5
                                                 2.0405       3
                                                 2.0404       4
                                                 2.0309       6
                                                 2.0309       6
                                                 2.0309       6
    6    OH                  3.36         8
                                                 2.6888       3
                                                 2.6888       4
                                                 3.0571       6
                                                 3.057        6
                                                 3.0571       6
                                                 3.0571       6
                                                 3.0571       6
                                                 3.057        6

  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   2  1.38    2.759   0.016 3447.62    2      218.6    13650.8
    2   0   0   4  2.76    5.52    0.031  859.66    2      184.2     2415.8
    3   0   0   6  4.142   8.284   0.047  380.42    2      134.1      566.9
    4   0   0   8  5.526  11.052   0.063  212.69    2       79.1      110.3
    5   0   0  10  6.914  13.827   0.078  135.06    2       41.1       18.9
    6   0   0  12  8.305  16.611   0.094   92.91    2       55.3       23.5
    7   1   0   0  9.67   19.341   0.109   67.96    6       17.8        5.4
    8   1   0   1  9.695  19.391   0.109   67.6    12       32.1       34.7
    9   0   0  14  9.702  19.404   0.109   67.5     2       82.0       37.6
   10   1   0   2  9.77   19.54    0.11    66.53   12       18.4       11.2
   11   1   0   3  9.893  19.787   0.112   64.83   12       31.1       31.2
   12   1   0   4 10.064  20.127   0.113   62.58   12       20.0       12.5
   13   1   0   5 10.279  20.557   0.116   59.9    12       29.2       25.4
   14   1   0   6 10.536  21.071   0.119   56.91   12       22.0       13.8
   15   1   0   7 10.832  21.664   0.122   53.73   12       26.5       18.7
   16   0   0  16 11.105  22.209   0.125   51.02    2       95.9       38.9
   17   1   0   8 11.164  22.329   0.126   50.45   12       23.9       14.4
   18   1   0   9 11.53   23.06    0.13    47.17   12       23.1       12.5
   19   1   0  10 11.926  23.853   0.134   43.95   12       25.3       14.0
   20   1   0  11 12.351  24.701   0.139   40.84   12       19.3        7.5
   21   0   0  18 12.514  25.028   0.141   39.73    2       95.0       29.7
   22   1   0  12 12.8    25.6     0.144   37.89   12       26.0       12.7
   23   1   0  13 13.272  26.544   0.149   35.1    12       15.3        4.1
   24   1   0  14 13.765  27.53    0.154   32.48   12       25.8       10.7
   25   0   0  20 13.931  27.862   0.156   31.67    2       82.3       17.8
   26   1   0  15 14.277  28.555   0.16    30.06   12       11.5        2.0
   27   1   0  16 14.807  29.614   0.166   27.81   12       24.8        8.5
   28   1   0  17 15.352  30.704   0.172   25.73   12        8.5        0.9
   29   0   0  22 15.357  30.713   0.172   25.72    2       63.3        8.5
   30   1   0  18 15.912  31.824   0.178   23.82   12       23.0        6.3
   31   1   0  19 16.485  32.971   0.184   22.07   12        7.3        0.6
   32   0   0  24 16.792  33.584   0.188   21.2     2       44.5        3.5
   33   1   1   0 16.915  33.829   0.189   20.87    6       14.7        1.1
   34   1   1  -2 16.974  33.948   0.19    20.71    6       14.3        1.1
   35   1   1   2 16.974  33.948   0.19    20.71    6       23.3        2.8
   36   1   0  20 17.071  34.142   0.191   20.45   12       20.7        4.4
   37   1   1  -4 17.152  34.304   0.191   20.25    6       14.8        1.1
   38   1   1   4 17.152  34.304   0.191   20.25    6       39.7        7.9
   39   1   1  -6 17.444  34.888   0.195   19.51    6       12.9        0.8
   40   1   1   6 17.444  34.888   0.195   19.51    6       59.4       17.1
   41   1   0  21 17.669  35.337   0.197   18.97   12        8.3        0.6
   42   1   1  -8 17.847  35.693   0.199   18.56    6        9.3        0.4
   43   1   1   8 17.847  35.693   0.199   18.56    6       78.3       28.3
   44   0   0  26 18.239  36.477   0.203   17.7     2       31.9        1.5
   45   1   0  22 18.277  36.553   0.204   17.62   12       18.0        2.8
   46   1   1 -10 18.353  36.705   0.204   17.46    6        5.8        0.1
   47   1   1  10 18.353  36.705   0.204   17.46    6       93.0       37.5
   48   1   0  23 18.895  37.79    0.21    16.37   12       10.4        0.9
   49   1   1 -12 18.955  37.911   0.211   16.26    6        4.7        0.1
   50   1   1  12 18.955  37.911   0.211   16.26    6      100.9       41.1
   51   1   0  24 19.523  39.046   0.217   15.23   12       15.1        1.7
   52   2   0   0 19.631  39.261   0.218   15.05    6       22.2        1.9
   53   2   0   1 19.644  39.288   0.218   15.02   12       23.6        4.1
   54   1   1 -14 19.647  39.295   0.218   15.02    6        7.6        0.2
   55   1   1  14 19.647  39.295   0.218   15.02    6      100.7       37.8
   56   2   0   2 19.683  39.366   0.219   14.96   12       21.8        3.5
   57   0   0  28 19.697  39.395   0.219   14.93    2       27.4        0.9
   58   2   0   3 19.748  39.497   0.219   14.85   12       22.9        3.9
   59   2   0   4 19.84   39.679   0.22    14.7    12       20.6        3.1
   60   2   0   5 19.956  39.913   0.222   14.51   12       21.6        3.4
   61   2   0   6 20.098  40.197   0.223   14.28   12       18.7        2.5
   62   1   0  25 20.16   40.32    0.224   14.18   12       12.8        1.1
   63   2   0   7 20.265  40.53    0.225   14.02   12       19.8        2.7
   64   1   1 -16 20.421  40.842   0.226   13.78    6       13.5        0.6
   65   1   1  16 20.421  40.842   0.226   13.78    6       92.9       29.5
   66   2   0   8 20.456  40.912   0.227   13.73   12       16.7        1.9
   67   2   0   9 20.67   41.341   0.229   13.41   12       17.5        2.1
   68   1   0  26 20.806  41.612   0.231   13.22   12       12.2        1.0
   69   2   0  10 20.908  41.816   0.232   13.07   12       15.0        1.5
   70   2   0  11 21.168  42.337   0.234   12.72   12       15.0        1.4
   71   0   0  30 21.169  42.339   0.234   12.72    2       25.8        0.7
   72   1   1 -18 21.27   42.54    0.235   12.58    6       21.2        1.4
   73   1   1  18 21.27   42.54    0.235   12.58    6       80.0       20.0
   74   2   0  12 21.45   42.901   0.237   12.35   12       14.3        1.2
   75   1   0  27 21.46   42.92    0.237   12.33   12       14.8        1.4
   76   2   0  13 21.753  43.507   0.241   11.96   12       12.3        0.9
   77   2   0  14 22.077  44.154   0.244   11.57   12       14.8        1.3
   78   1   0  28 22.123  44.245   0.244   11.52   12        9.5        0.5
   79   1   1 -20 22.187  44.375   0.245   11.44    6       29.2        2.4
   80   1   1  20 22.187  44.375   0.245   11.44    6       67.3       12.9
   81   2   0  15 22.421  44.841   0.248   11.18   12        9.9        0.5
   82   0   0  32 22.656  45.312   0.25    10.91    2       22.6        0.5
   83   2   0  16 22.783  45.567   0.251   10.78   12       16.3        1.4
   84   1   0  29 22.793  45.586   0.251   10.77   12       16.5        1.5
   85   2   0  17 23.165  46.329   0.255   10.38   12        8.0        0.3
   86   1   1 -22 23.168  46.335   0.255   10.38    6       35.9        3.3
   87   1   1  22 23.168  46.335   0.255   10.38    6       61.2        9.7
   88   1   0  30 23.471  46.942   0.259   10.08   12        7.3        0.3
   89   2   0  18 23.564  47.127   0.259    9.99   12       18.2        1.6
   90   2   0  19 23.98   47.96    0.264    9.6    12        7.3        0.3
   91   1   0  31 24.156  48.313   0.266    9.44   12       17.7        1.5
   92   0   0  34 24.159  48.319   0.266    9.44    2       19.0        0.3
   93   1   1 -24 24.206  48.412   0.266    9.4     6       39.9        3.7
   94   1   1  24 24.206  48.412   0.266    9.4     6       64.7        9.8
   95   2   0  20 24.413  48.826   0.268    9.21   12       20.1        1.8
   96   1   0  32 24.849  49.699   0.273    8.85   12        5.7        0.1
   97   2   0  21 24.862  49.724   0.273    8.84   12        7.9        0.3
   98   1   1 -26 25.298  50.595   0.277    8.5     6       40.9        3.5
   99   1   1  26 25.298  50.595   0.277    8.5     6       72.9       11.2
  100   2   0  22 25.327  50.654   0.278    8.48   12       21.5        2.0
  101   1   0  33 25.55   51.099   0.28     8.31   12       18.3        1.4
  102   0   0  36 25.68   51.361   0.281    8.21    2       19.7        0.3
  103   2   0  23 25.807  51.614   0.283    8.12   12        9.4        0.4
  104   1   0  34 26.257  52.515   0.287    7.81   12        4.9        0.1
  105   2   0  24 26.301  52.603   0.288    7.78   12       22.4        1.9
  106   2   1   0 26.387  52.773   0.288    7.72   12       11.9        0.5
  107   2   1  -1 26.397  52.794   0.289    7.71   12       19.2        1.4
  108   2   1   1 26.397  52.794   0.289    7.71   12       19.2        1.4
  109   2   1  -2 26.428  52.857   0.289    7.69   12       12.5        0.6
  110   2   1   2 26.428  52.857   0.289    7.69   12       11.8        0.5
  111   1   1 -28 26.44   52.879   0.289    7.68    6       40.1        3.1
  112   1   1  28 26.44   52.879   0.289    7.68    6       79.5       12.1
  113   2   1  -3 26.48   52.961   0.289    7.66   12       18.7        1.3
  114   2   1   3 26.48   52.961   0.289    7.66   12       18.7        1.3
  115   2   1  -4 26.553  53.106   0.29     7.61   12       13.3        0.7
  116   2   1   4 26.553  53.106   0.29     7.61   12       12.3        0.6
  117   2   1  -5 26.647  53.293   0.291    7.55   12       17.7        1.2
  118   2   1   5 26.647  53.293   0.291    7.55   12       17.7        1.2
  119   2   1  -6 26.76   53.52    0.292    7.48   12       14.0        0.7
  120   2   1   6 26.76   53.52    0.292    7.48   12       13.3        0.7
  121   2   0  25 26.81   53.62    0.293    7.45   12       11.1        0.5
  122   2   1  -7 26.894  53.788   0.294    7.39   12       16.4        1.0
  123   2   1   7 26.894  53.788   0.294    7.39   12       16.4        1.0
  124   1   0  35 26.973  53.945   0.294    7.34   12       18.4        1.2
  125   2   1  -8 27.048  54.097   0.295    7.3    12       14.5        0.8
  126   2   1   8 27.048  54.097   0.295    7.3    12       14.5        0.8
  127   0   0  38 27.221  54.442   0.297    7.19    2       25.3        0.4
  128   2   1  -9 27.222  54.444   0.297    7.19   12       14.7        0.8
  129   2   1   9 27.222  54.444   0.297    7.19   12       14.7        0.8
  130   2   0  26 27.332  54.665   0.298    7.13   12       22.6        1.8
  131   2   1 -10 27.416  54.831   0.299    7.08   12       14.6        0.8
  132   2   1  10 27.416  54.831   0.299    7.08   12       15.8        0.9
  133   2   1 -11 27.628  55.257   0.301    6.95   12       12.8        0.6
  134   2   1  11 27.628  55.257   0.301    6.95   12       12.8        0.6
  135   1   1 -30 27.629  55.258   0.301    6.95    6       40.1        2.8
  136   1   1  30 27.629  55.258   0.301    6.95    6       80.9       11.3
  137   1   0  36 27.695  55.39    0.302    6.92   12        4.8        0.1
  138   2   1 -12 27.86   55.72    0.303    6.82   12       14.3        0.7
  139   2   1  12 27.86   55.72    0.303    6.82   12       16.8        1.0
  140   2   0  27 27.868  55.736   0.303    6.82   12       12.7        0.5
  141   2   1 -13 28.11   56.221   0.306    6.69   12       10.8        0.4
  142   2   1  13 28.11   56.221   0.306    6.69   12       10.8        0.4
  143   2   1 -14 28.379  56.759   0.309    6.54   12       13.6        0.6
  144   2   1  14 28.379  56.759   0.309    6.54   12       17.5        1.0
  145   2   0  28 28.417  56.834   0.309    6.52   12       22.2        1.6
  146   1   0  37 28.425  56.85    0.309    6.52   12       18.1        1.1
  147   2   1 -15 28.666  57.333   0.311    6.4    12        9.1        0.3
  148   2   1  15 28.666  57.333   0.311    6.4    12        9.1        0.3
  149   0   0  40 28.783  57.567   0.313    6.34    2       31.5        0.5
  150   1   1 -32 28.864  57.728   0.313    6.3     6       43.9        3.0
  151   1   1  32 28.864  57.728   0.313    6.3     6       76.0        9.0
  152   2   1 -16 28.971  57.942   0.314    6.24   12       12.5        0.5
  153   2   1  16 28.971  57.942   0.314    6.24   12       17.7        1.0
  154   2   0  29 28.979  57.958   0.314    6.24   12       14.0        0.6
  155   1   0  38 29.163  58.326   0.316    6.15   12        5.0        0.1
  156   2   1 -17 29.293  58.586   0.318    6.09   12        7.8        0.2
  157   2   1  17 29.293  58.586   0.318    6.09   12        7.8        0.2
  158   2   0  30 29.553  59.106   0.32     5.97   12       21.3        1.4
  159   2   1 -18 29.632  59.265   0.321    5.94   12       11.0        0.4
  160   2   1  18 29.632  59.265   0.321    5.94   12       17.5        0.9
  161   1   0  39 29.908  59.816   0.324    5.81   12       17.3        0.9
  162   2   1 -19 29.988  59.977   0.324    5.78   12        7.3        0.2
  163   2   1  19 29.988  59.977   0.324    5.78   12        7.3        0.2
  164   2   0  31 30.14   60.28    0.326    5.71   12       15.0        0.6
  165   1   1 -34 30.142  60.285   0.326    5.71    6       51.5        3.8
  166   1   1  34 30.142  60.285   0.326    5.71    6       65.5        6.1
  167   3   0   0 30.261  60.521   0.327    5.66    6       77.4        8.4
  168   3   0   1 30.27   60.54    0.327    5.66   12        0.0        0.0
  169   3   0   2 30.299  60.597   0.327    5.65   12       75.5       16.0
  170   3   0   3 30.346  60.693   0.328    5.63   12        0.0        0.0
  171   2   1 -20 30.361  60.722   0.328    5.62   12        9.4        0.2
  172   2   1  20 30.361  60.722   0.328    5.62   12       16.9        0.8
  173   0   0  42 30.37   60.739   0.328    5.62    2       35.6        0.6
  174   3   0   4 30.413  60.826   0.329    5.6    12       70.0       13.6
  175   3   0   5 30.498  60.997   0.329    5.57   12        0.0        0.0
  176   3   0   6 30.603  61.206   0.33     5.52   12       61.6       10.4
  177   1   0  40 30.661  61.322   0.331    5.5    12        5.2        0.1
  178   3   0   7 30.726  61.452   0.332    5.47   12        0.0        0.0
  179   2   0  32 30.739  61.477   0.332    5.47   12       20.1        1.1
  180   2   1 -21 30.75   61.5     0.332    5.46   12        7.7        0.2
  181   2   1  21 30.75   61.5     0.332    5.46   12        7.7        0.2
  182   3   0   8 30.867  61.735   0.333    5.42   12       51.6        7.2
  183   3   0   9 31.027  62.055   0.335    5.36   12        0.0        0.0
  184   2   1 -22 31.154  62.309   0.336    5.31   12        7.6        0.2
  185   2   1  22 31.154  62.309   0.336    5.31   12       15.8        0.7
  186   3   0  10 31.206  62.411   0.336    5.29   12       41.8        4.6
  187   2   0  33 31.349  62.699   0.338    5.24   12       15.5        0.6
  188   3   0  11 31.402  62.804   0.338    5.22   12        0.0        0.0
  189   1   0  41 31.422  62.844   0.338    5.21   12       16.2        0.7
  190   1   1 -36 31.464  62.928   0.339    5.19    6       60.3        4.7
  191   1   1  36 31.464  62.928   0.339    5.19    6       51.1        3.4
  192   2   1 -23 31.575  63.15    0.34     5.15   12        8.7        0.2
  193   2   1  23 31.575  63.15    0.34     5.15   12        8.7        0.2
  194   3   0  12 31.616  63.233   0.34     5.14   12       34.4        3.0
  195   3   0  13 31.848  63.697   0.343    5.06   12        0.0        0.0
  196   2   0  34 31.972  63.944   0.344    5.02   12       18.6        0.9
  197   0   0  44 31.982  63.964   0.344    5.01    2       36.7        0.6
  198   2   1 -24 32.011  64.021   0.344    5.0    12        5.8        0.1
  199   2   1  24 32.011  64.021   0.344    5.0    12       14.5        0.5
  200   3   0  14 32.098  64.196   0.345    4.97   12       31.2        2.4
  201   1   0  42 32.191  64.383   0.346    4.94   12        5.2        0.1
  202   3   0  15 32.365  64.729   0.347    4.88   12        0.0        0.0
  203   2   1 -25 32.461  64.923   0.348    4.85   12       10.0        0.2
  204   2   1  25 32.461  64.923   0.348    4.85   12       10.0        0.2
  205   2   0  35 32.606  65.212   0.35     4.81   12       15.7        0.6
  206   3   0  16 32.649  65.297   0.35     4.79   12       31.4        2.4
  207   1   1 -38 32.828  65.655   0.352    4.74    6       67.2        5.3
  208   1   1  38 32.828  65.655   0.352    4.74    6       34.8        1.4
  209   2   1 -26 32.927  65.854   0.353    4.71   12        4.1        0.0
  210   2   1  26 32.927  65.854   0.353    4.71   12       13.0        0.4
  211   3   0  17 32.949  65.899   0.353    4.7    12        0.0        0.0
  212   1   0  43 32.969  65.938   0.353    4.69   12       14.9        0.5
  213   2   0  36 33.252  66.504   0.356    4.61   12       17.2        0.7
  214   3   0  18 33.267  66.534   0.356    4.61   12       32.8        2.5
  215   2   1 -27 33.407  66.815   0.357    4.56   12       11.2        0.3
  216   2   1  27 33.407  66.815   0.357    4.56   12       11.2        0.3
  217   3   0  19 33.601  67.202   0.359    4.51   12        0.0        0.0
  218   0   0  46 33.623  67.246   0.359    4.5     2       35.7        0.5
  219   1   0  44 33.755  67.511   0.361    4.47   12        5.1        0.1
  220   2   1 -28 33.902  67.805   0.362    4.43   12        2.7        0.0
  221   2   1  28 33.902  67.805   0.362    4.43   12       11.4        0.3
  222   2   0  37 33.91   67.819   0.362    4.42   12       15.5        0.5
  223   3   0  20 33.951  67.903   0.363    4.41   12       33.3        2.4
  224   1   1 -40 34.234  68.468   0.365    4.34    6       70.4        5.3
  225   1   1  40 34.234  68.468   0.365    4.34    6       18.6        0.4
  226   3   0  21 34.318  68.636   0.366    4.31   12        0.0        0.0
  227   2   1 -29 34.412  68.823   0.367    4.29   12       12.2        0.3
  228   2   1  29 34.412  68.823   0.367    4.29   12       12.2        0.3
  229   1   0  45 34.551  69.101   0.368    4.26   12       13.3        0.4
  230   2   0  38 34.579  69.158   0.368    4.25   12       16.0        0.5
  231   3   0  22 34.7    69.4     0.37     4.22   12       32.0        2.2
  232   2   1 -30 34.935  69.87    0.372    4.16   12        1.5        0.0
  233   2   1  30 34.935  69.87    0.372    4.16   12       10.0        0.2
  234   3   0  23 35.098  70.196   0.373    4.12   12        0.0        0.0
  235   2   0  39 35.26   70.52    0.375    4.08   12       14.9        0.5
  236   0   0  48 35.296  70.592   0.375    4.08    2       34.3        0.4
  237   1   0  46 35.355  70.71    0.376    4.06   12        4.9        0.0
  238   2   1 -31 35.473  70.945   0.377    4.03   12       13.0        0.3
  239   2   1  31 35.473  70.945   0.377    4.03   12       13.0        0.3
  240   3   0  24 35.512  71.024   0.377    4.03   12       29.1        1.7
  241   2   2   0 35.584  71.167   0.378    4.01    6       18.7        0.3
  242   2   2  -2 35.619  71.238   0.378    4.0     6       32.5        1.1
  243   2   2   2 35.619  71.238   0.378    4.0     6        7.3        0.1
  244   1   1 -42 35.684  71.368   0.379    3.99    6       68.9        4.7
  245   1   1  42 35.684  71.368   0.379    3.99    6        4.5        0.0
  246   2   2  -4 35.724  71.448   0.379    3.98    6       45.5        2.0
  247   2   2   4 35.724  71.448   0.379    3.98    6        9.9        0.1
  248   2   2  -6 35.899  71.798   0.381    3.94    6       55.3        3.0
  249   2   2   6 35.899  71.798   0.381    3.94    6       17.5        0.3
  250   3   0  25 35.941  71.882   0.381    3.93   12        0.0        0.0
  251   2   0  40 35.953  71.906   0.381    3.93   12       15.2        0.5
  252   2   1 -32 36.024  72.049   0.382    3.91   12        0.8        0.0
  253   2   1  32 36.024  72.049   0.382    3.91   12        8.7        0.1
  254   2   2  -8 36.143  72.287   0.383    3.89    6       60.4        3.5
  255   2   2   8 36.143  72.287   0.383    3.89    6       23.2        0.5
  256   1   0  47 36.169  72.339   0.383    3.88   12       11.7        0.3
  257   3   0  26 36.385  72.771   0.385    3.84   12       24.9        1.2
  258   2   2 -10 36.457  72.913   0.386    3.83    6       60.0        3.4
  259   2   2  10 36.457  72.913   0.386    3.83    6       27.1        0.7
  260   2   1 -33 36.59   73.18    0.387    3.8    12       13.5        0.3
  261   2   1  33 36.59   73.18    0.387    3.8    12       13.5        0.3
  262   2   0  41 36.658  73.315   0.388    3.79   12       14.0        0.4
  263   2   2 -12 36.838  73.676   0.389    3.75    6       54.3        2.7
  264   2   2  12 36.838  73.676   0.389    3.75    6       29.9        0.8
  265   3   0  27 36.845  73.69    0.389    3.75   12        0.0        0.0
  266   1   0  48 36.993  73.987   0.391    3.72   12        4.6        0.0
  267   0   0  50 37.004  74.009   0.391    3.72    2       34.4        0.4
  268   2   1 -34 37.169  74.338   0.392    3.69   12        0.9        0.0
  269   2   1  34 37.169  74.338   0.392    3.69   12        7.8        0.1
  270   1   1 -44 37.179  74.357   0.392    3.69    6       62.6        3.6
  271   1   1  44 37.179  74.357   0.392    3.69    6        7.4        0.0
  272   3   1   0 37.276  74.552   0.393    3.67   12       11.9        0.3
  273   3   1  -1 37.284  74.569   0.393    3.67   12       14.1        0.4
  274   3   1   1 37.284  74.569   0.393    3.67   12       14.1        0.4
  275   2   2 -14 37.287  74.574   0.393    3.67    6       44.7        1.8
  276   2   2  14 37.287  74.574   0.393    3.67    6       31.8        0.9
  277   3   1  -2 37.31   74.621   0.393    3.66   12       11.9        0.3
  278   3   1   2 37.31   74.621   0.393    3.66   12       12.1        0.3
  279   3   0  28 37.32   74.639   0.394    3.66   12       20.4        0.8
  280   3   1  -3 37.353  74.707   0.394    3.66   12       13.8        0.3
  281   3   1   3 37.353  74.707   0.394    3.66   12       13.8        0.3
  282   2   0  42 37.374  74.749   0.394    3.65   12       14.8        0.4
  283   3   1  -4 37.414  74.827   0.394    3.64   12       12.2        0.3
  284   3   1   4 37.414  74.827   0.394    3.64   12       12.5        0.3
  285   3   1  -5 37.491  74.982   0.395    3.63   12       13.2        0.3
  286   3   1   5 37.491  74.982   0.395    3.63   12       13.2        0.3
  287   3   1  -6 37.585  75.171   0.396    3.61   12       12.7        0.3
  288   3   1   6 37.585  75.171   0.396    3.61   12       12.7        0.3
  289   3   1  -7 37.697  75.394   0.397    3.59   12       12.3        0.3
  290   3   1   7 37.697  75.394   0.397    3.59   12       12.3        0.3
  291   2   1 -35 37.762  75.525   0.398    3.58   12       13.6        0.3
  292   2   1  35 37.762  75.525   0.398    3.58   12       13.6        0.3
  293   2   2 -16 37.802  75.605   0.398    3.58    6       34.6        1.1
  294   2   2  16 37.802  75.605   0.398    3.58    6       32.4        0.9
  295   3   0  29 37.809  75.618   0.398    3.58   12        0.0        0.0
  296   3   1  -8 37.826  75.651   0.398    3.57   12       13.5        0.3
  297   3   1   8 37.826  75.651   0.398    3.57   12       12.8        0.3
  298   1   0  49 37.828  75.656   0.398    3.57   12       10.2        0.2
  299   3   1  -9 37.971  75.943   0.399    3.55   12       11.2        0.2
  300   3   1   9 37.971  75.943   0.399    3.55   12       11.2        0.2
  301   2   0  43 38.103  76.207   0.401    3.53   12       13.0        0.3
  302   3   1 -10 38.134  76.267   0.401    3.52   12       14.3        0.4
  303   3   1  10 38.134  76.267   0.401    3.52   12       12.5        0.3
  304   3   1 -11 38.313  76.626   0.402    3.49   12       10.1        0.2
  305   3   1  11 38.313  76.626   0.402    3.49   12       10.1        0.2
  306   3   0  30 38.314  76.628   0.402    3.49   12       15.8        0.4
  307   2   1 -36 38.37   76.739   0.403    3.48   12        1.1        0.0
  308   2   1  36 38.37   76.739   0.403    3.48   12        7.2        0.1
  309   2   2 -18 38.384  76.767   0.403    3.48    6       29.8        0.8
  310   2   2  18 38.384  76.767   0.403    3.48    6       30.8        0.8
  311   3   1 -12 38.509  77.018   0.404    3.46   12       15.1        0.4
  312   3   1  12 38.509  77.018   0.404    3.46   12       12.0        0.2
  313   1   0  50 38.673  77.346   0.406    3.44   12        4.3        0.0
  314   1   1 -46 38.72   77.439   0.406    3.43    6       52.6        2.4
  315   1   1  46 38.72   77.439   0.406    3.43    6       15.4        0.2
  316   3   1 -13 38.722  77.444   0.406    3.43   12        8.9        0.1
  317   3   1  13 38.722  77.444   0.406    3.43   12        8.9        0.1
  318   0   0  52 38.752  77.504   0.406    3.43    2       36.2        0.4
  319   3   0  31 38.833  77.667   0.407    3.41   12        0.0        0.0
  320   2   0  44 38.845  77.69    0.407    3.41   12       14.7        0.4
  321   3   1 -14 38.951  77.903   0.408    3.4    12       15.6        0.4
  322   3   1  14 38.951  77.903   0.408    3.4    12       11.2        0.2
  323   2   1 -37 38.991  77.981   0.408    3.39   12       13.5        0.3
  324   2   1  37 38.991  77.981   0.408    3.39   12       13.5        0.3
  325   2   2 -20 39.03   78.06    0.409    3.39    6       34.2        1.0
  326   2   2  20 39.03   78.06    0.409    3.39    6       26.5        0.6
  327   3   1 -15 39.197  78.395   0.41     3.36   12        7.8        0.1
  328   3   1  15 39.197  78.395   0.41     3.36   12        7.8        0.1
  329   3   0  32 39.368  78.735   0.412    3.34   12       11.3        0.2
  330   3   1 -16 39.46   78.92    0.413    3.33   12       15.9        0.4
  331   3   1  16 39.46   78.92    0.413    3.33   12       10.1        0.2
  332   1   0  51 39.53   79.06    0.413    3.32   12        8.7        0.1
  333   2   0  45 39.599  79.198   0.414    3.31   12       11.7        0.2
  334   2   1 -38 39.626  79.252   0.414    3.3    12        1.1        0.0
  335   2   1  38 39.626  79.252   0.414    3.3    12        7.0        0.1
  336   3   1 -17 39.739  79.478   0.415    3.29   12        7.1        0.1
  337   3   1  17 39.739  79.478   0.415    3.29   12        7.0        0.1
  338   2   2 -22 39.741  79.482   0.415    3.29    6       42.8        1.5
  339   2   2  22 39.741  79.482   0.415    3.29    6       19.9        0.3
  340   3   0  33 39.917  79.834   0.417    3.27   12        0.0        0.0
  341   3   1 -18 40.034  80.068   0.418    3.25   12       15.8        0.4
  342   3   1  18 40.034  80.068   0.418    3.25   12        8.7        0.1
  343   2   1 -39 40.275  80.551   0.42     3.22   12       13.0        0.3
  344   2   1  39 40.275  80.551   0.42     3.22   12       13.0        0.3
  345   1   1 -48 40.31   80.619   0.42     3.22    6       40.4        1.3
  346   1   1  48 40.31   80.619   0.42     3.22    6       20.5        0.3
  347   3   1 -19 40.346  80.691   0.42     3.21   12        6.8        0.1
  348   3   1  19 40.346  80.691   0.42     3.21   12        6.7        0.1
  349   2   0  46 40.366  80.732   0.42     3.21   12       14.7        0.3
  350   1   0  52 40.398  80.797   0.421    3.21   12        4.0        0.0
  351   3   0  34 40.481  80.962   0.421    3.2    12        6.4        0.1
  352   2   2 -24 40.516  81.032   0.422    3.19    6       50.2        2.0
  353   2   2  24 40.516  81.032   0.422    3.19    6       13.1        0.1
  354   0   0  54 40.544  81.087   0.422    3.19    2       38.3        0.4
  355   3   1 -20 40.674  81.347   0.423    3.17   12       15.4        0.4
  356   3   1  20 40.674  81.347   0.423    3.17   12        7.3        0.1
  357   2   1 -40 40.939  81.878   0.425    3.14   12        1.0        0.0
  358   2   1  40 40.939  81.878   0.425    3.14   12        6.9        0.1
  359   3   1 -21 41.018  82.035   0.426    3.14   12        6.9        0.1
  360   3   1  21 41.018  82.035   0.426    3.14   12        6.9        0.1
  361   3   0  35 41.06   82.12    0.426    3.13   12        0.0        0.0
  362   2   0  47 41.147  82.294   0.427    3.12   12       10.4        0.2
  363   1   0  53 41.279  82.559   0.428    3.11   12        7.6        0.1
  364   2   2 -26 41.355  82.71    0.429    3.1     6       54.0        2.2
  365   2   2  26 41.355  82.71    0.429    3.1     6       13.2        0.1
  366   3   1 -22 41.378  82.755   0.429    3.1    12       14.7        0.3
  367   3   1  22 41.378  82.755   0.429    3.1    12        5.8        0.1
  368   2   1 -41 41.617  83.234   0.431    3.07   12       12.3        0.2
  369   2   1  41 41.617  83.234   0.431    3.07   12       12.3        0.2
  370   3   0  36 41.654  83.309   0.431    3.07   12        0.7        0.0
  371   3   1 -23 41.754  83.508   0.432    3.06   12        7.5        0.1
  372   3   1  23 41.754  83.508   0.432    3.06   12        7.5        0.1
  373   2   0  48 41.941  83.883   0.434    3.04   12       14.8        0.3
  374   1   1 -50 41.952  83.904   0.434    3.04    6       28.6        0.6
  375   1   1  50 41.952  83.904   0.434    3.04    6       23.3        0.4
  376   3   1 -24 42.146  84.293   0.436    3.02   12       13.8        0.3
  377   3   1  24 42.146  84.293   0.436    3.02   12        4.4        0.0
  378   1   0  54 42.174  84.347   0.436    3.02   12        3.8        0.0
  379   4   0   0 42.215  84.43    0.436    3.02    6        3.5        0.0
  380   4   0   1 42.223  84.446   0.436    3.02   12       12.4        0.2
  381   4   0   2 42.248  84.496   0.436    3.02   12        3.4        0.0
  382   2   2 -28 42.257  84.514   0.437    3.02    6       53.4        2.1
  383   2   2  28 42.257  84.514   0.437    3.02    6       21.2        0.3
  384   3   0  37 42.264  84.528   0.437    3.01   12        0.0        0.0
  385   4   0   3 42.29   84.58    0.437    3.01   12       12.1        0.2
  386   2   1 -42 42.31   84.62    0.437    3.01   12        0.7        0.0
  387   2   1  42 42.31   84.62    0.437    3.01   12        6.9        0.1
  388   4   0   4 42.348  84.696   0.437    3.01   12        3.0        0.0
  389   0   0  56 42.384  84.769   0.438    3.0     2       39.5        0.4
  390   4   0   5 42.423  84.846   0.438    3.0    12       11.6        0.2
  391   4   0   6 42.515  85.03    0.439    2.99   12        2.5        0.0
  392   3   1 -25 42.555  85.11    0.439    2.99   12        8.2        0.1
  393   3   1  25 42.555  85.11    0.439    2.99   12        8.2        0.1
  394   4   0   7 42.623  85.246   0.44     2.98   12       10.9        0.2
  395   4   0   8 42.748  85.496   0.441    2.97   12        2.1        0.0
  396   2   0  49 42.75   85.501   0.441    2.97   12        9.1        0.1
  397   3   0  38 42.889  85.778   0.442    2.96   12        6.1        0.1
  398   4   0   9 42.89   85.779   0.442    2.96   12       10.0        0.1
  399   3   1 -26 42.98   85.959   0.443    2.96   12       12.7        0.2
  400   3   1  26 42.98   85.959   0.443    2.96   12        3.1        0.0
  401   2   1 -43 43.018  86.036   0.443    2.95   12       11.4        0.2
  402   2   1  43 43.018  86.036   0.443    2.95   12       11.4        0.2
  403   4   0  10 43.048  86.096   0.443    2.95   12        2.3        0.0
  404   1   0  55 43.082  86.163   0.443    2.95   12        6.8        0.1
  405   4   0  11 43.223  86.445   0.445    2.94   12        9.0        0.1
  406   2   2 -30 43.223  86.447   0.445    2.94    6       48.8        1.7
  407   2   2  30 43.223  86.447   0.445    2.94    6       30.4        0.7
  408   4   0  12 43.414  86.828   0.446    2.92   12        3.0        0.0
  409   3   1 -27 43.421  86.841   0.446    2.92   12        9.0        0.1
  410   3   1  27 43.421  86.841   0.446    2.92   12        9.0        0.1
  411   3   0  39 43.529  87.059   0.447    2.92   12        0.0        0.0
  412   2   0  50 43.574  87.148   0.447    2.91   12       14.9        0.3
  413   4   0  13 43.622  87.243   0.448    2.91   12        8.1        0.1
  414   1   1 -52 43.651  87.302   0.448    2.91    6       20.8        0.3
  415   1   1  52 43.651  87.302   0.448    2.91    6       24.5        0.4
  416   2   1 -44 43.742  87.483   0.449    2.9    12        0.7        0.0
  417   2   1  44 43.742  87.483   0.449    2.9    12        6.8        0.1
  418   4   0  14 43.846  87.692   0.45     2.89   12        4.1        0.0
  419   3   1 -28 43.878  87.756   0.45     2.89   12       11.6        0.2
  420   3   1  28 43.878  87.756   0.45     2.89   12        2.3        0.0
  421   1   0  56 44.004  88.009   0.451    2.88   12        3.7        0.0
  422   4   0  15 44.087  88.174   0.452    2.88   12        7.2        0.1
  423   3   0  40 44.186  88.372   0.452    2.87   12       13.3        0.3
  424   2   2 -32 44.254  88.508   0.453    2.87    6       41.3        1.2
  425   2   2  32 44.254  88.508   0.453    2.87    6       38.0        1.0
  426   0   0  58 44.281  88.562   0.453    2.87    2       38.7        0.4
  427   4   0  16 44.344  88.689   0.454    2.86   12        5.2        0.0
  428   3   1 -29 44.351  88.702   0.454    2.86   12        9.7        0.1
  429   3   1  29 44.351  88.702   0.454    2.86   12        9.7        0.1
  430   2   0  51 44.413  88.826   0.454    2.86   12        8.0        0.1
  431   2   1 -45 44.481  88.962   0.455    2.86   12       10.4        0.2
  432   2   1  45 44.481  88.962   0.455    2.86   12       10.4        0.2
  433   4   0  17 44.618  89.237   0.456    2.85   12        6.6        0.1
  434   3   1 -30 44.841  89.682   0.458    2.84   12       10.5        0.2
  435   3   1  30 44.841  89.682   0.458    2.84   12        2.0        0.0
  436   3   0  41 44.858  89.717   0.458    2.84   12        0.0        0.0
  437   4   0  18 44.909  89.818   0.458    2.83   12        6.3        0.1
  438   1   0  57 44.943  89.886   0.459    2.83   12        6.4        0.1


  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   2   1.38    2.759 31.995      13650.8    100.0    100.0     5.5
    2   0   0   4   2.76    5.52  15.9975      2415.8     17.7     17.7     5.5
    3   0   0   6   4.142   8.284 10.665        566.9      4.2      4.1     5.6

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)