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

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

1, f-shcherbinaite, DF

(Na,K)(0.7)V(6)O(15)


Monoclinic  C 2/m  Z = 2

R =0.094          NR =679

18 .6 .1995

Ref.Str.:

         Hughes J.N., Finger L.W. (1983)

         * Amer. Mineral., 68, 634-641

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  15.413    alpha =   90.0 
             b =   3.615    beta  =  109.29
             c =  10.066    gamma =   90.0 

    Unit cell volume (cub. angs.) =   529.37

    Molar volume ( cub.cm/mol.) =   159.43

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

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

   1 0.337   0.0     0.103    0.0    V     = 1.00
   2 0.1163  0.0     0.1176   0.0    V     = 1.00
   3 0.2873  0.0     0.41     0.0    V     = 1.00
   4 0.0     0.0     0.0      0.0    O     = 1.00
   5 0.8171  0.0     0.058    0.0    O     = 1.00
   6 0.6342  0.0     0.078    0.0    O     = 1.00
   7 0.4354  0.0     0.218    0.0    O     = 1.00
   8 0.2618  0.0     0.221    0.0    O     = 1.00
   9 0.107   0.0     0.272    0.0    O     = 1.00
  10 0.7554  0.0     0.426    0.0    O     = 1.00
  11 0.3952  0.0     0.469    0.0    O     = 1.00
  12 0.002   0.0     0.411    0.0    Na    = 0.6 , K     = 0.1 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.337      0.0        0.103 
     2       2     0.1163     0.0        0.1176
     3       3     0.2873     0.0        0.41  
     4       4     0.0        0.0        0.0   
     5       5     0.8171     0.0        0.058 
     6       6     0.6342     0.0        0.078 
     7       7     0.4354     0.0        0.218 
     8       8     0.2618     0.0        0.221 
     9       9     0.107      0.0        0.272 
    10      10     0.7554     0.0        0.426 
    11      11     0.3952     0.0        0.469 
    12      12     0.002      0.0        0.411 
    13       1     0.663      0.0        0.897 
    14       2     0.8837     0.0        0.8824
    15       3     0.7127     0.0        0.59  
    16       5     0.1829     0.0        0.942 
    17       6     0.3658     0.0        0.922 
    18       7     0.5646     0.0        0.782 
    19       8     0.7382     0.0        0.779 
    20       9     0.893      0.0        0.728 
    21      10     0.2446     0.0        0.574 
    22      11     0.6048     0.0        0.531 
    23      12     0.998      0.0        0.589 
    24       1     0.837      0.5        0.103 
    25       2     0.6163     0.5        0.1176
    26       3     0.7873     0.5        0.41  
    27       4     0.5        0.5        0.0   
    28       5     0.3171     0.5        0.058 
    29       6     0.1342     0.5        0.078 
    30       7     0.9354     0.5        0.218 
    31       8     0.7618     0.5        0.221 
    32       9     0.607      0.5        0.272 
    33      10     0.2554     0.5        0.426 
    34      11     0.8952     0.5        0.469 
    35      12     0.502      0.5        0.411 
    36       1     0.163      0.5        0.897 
    37       2     0.3837     0.5        0.8824
    38       3     0.2127     0.5        0.59  
    39       5     0.6829     0.5        0.942 
    40       6     0.8658     0.5        0.922 
    41       7     0.0646     0.5        0.782 
    42       8     0.2382     0.5        0.779 
    43       9     0.393      0.5        0.728 
    44      10     0.7446     0.5        0.574 
    45      11     0.1048     0.5        0.531 
    46      12     0.498      0.5        0.589 


X-ray density (g/cm cub.)   =      3.64

MU (1/cm) =     476.165    Mass attenuation coefficient (cm**2/g) =    130.669

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

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

    1    V                   2.496        6
                                                 1.5749       7
                                                 1.9141       8
                                                 2.3926       5
                                                 2.0127       6
                                                 1.864        5
                                                 1.864        5
    2    V                   2.496        6
                                                 1.7923       4
                                                 2.1378       8
                                                 1.6072       9
                                                 2.3188       5
                                                 1.8907       6
                                                 1.8907       6
    3    V                   2.496        5
                                                 1.811        8
                                                 1.5703      11
                                                 1.9688      10
                                                 1.894       10
                                                 1.894       10
    4    O                   3.264       12
                                                 3.0619       5
                                                 2.6894       9
                                                 3.0619       5
                                                 2.6894       9
                                                 2.6625       6
                                                 2.6625       6
                                                 3.243        7
                                                 3.243        7
                                                 2.6625       6
                                                 2.6625       6
                                                 3.243        7
                                                 3.243        7
    5    O                   3.264       11
                                                 3.0619       4
                                                 2.8918       6
                                                 2.6664       8
                                                 2.6917       7
                                                 2.6917       7
                                                 2.7586       8
                                                 2.7586       8
                                                 2.7043       5
                                                 2.7043       5
                                                 2.5266       6
                                                 2.5266       6
    6    O                   3.264       10
                                                 2.8918       5
                                                 2.8137       7
                                                 2.6625       4
                                                 2.6625       4
                                                 2.7086       8
                                                 2.7086       8
                                                 2.7923       9
                                                 2.7923       9
                                                 2.5266       5
                                                 2.5266       5
    7    O                   3.264        9
                                                 2.6858       8
                                                 2.7932      11
                                                 2.8137       6
                                                 3.243        4
                                                 3.243        4
                                                 2.6917       5
                                                 2.6917       5
                                                 3.0997       9
                                                 3.0997       9
    8    O                   3.264       10
                                                 2.6858       7
                                                 2.6011       9
                                                 2.6586      11
                                                 2.6664       5
                                                 2.7586       5
                                                 2.7586       5
                                                 2.7086       6
                                                 2.7086       6
                                                 2.7694      10
                                                 2.7694      10
    9    O                   3.264       11
                                                 2.6894       4
                                                 2.6011       8
                                                 3.0789      10
                                                 2.7923       6
                                                 2.7923       6
                                                 3.0997       7
                                                 3.0997       7
                                                 2.9256      10
                                                 2.9256      10
                                                 3.1818      11
                                                 3.1818      11
   10    O                   3.264       10
                                                 3.0789       9
                                                 2.8506      11
                                                 2.7694       8
                                                 2.7694       8
                                                 2.9256       9
                                                 2.9256       9
                                                 2.7352      11
                                                 2.7352      11
                                                 2.3829      10
                                                 2.3829      10
   11    O                   3.264        8
                                                 2.7932       7
                                                 2.6586       8
                                                 2.8506      10
                                                 3.0812      11
                                                 2.7352      10
                                                 2.7352      10
                                                 3.1818       9
                                                 3.1818       9
   12   Na   ,K              3.228        7
                                                 2.4643       9
                                                 2.6033       7
                                                 2.6033       7
                                                 2.6368      11
                                                 2.6368      11
                                                 2.4438      11
                                                 2.4438      11

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

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

    1   0   0   1  4.65    9.301   0.053  301.29    2       44.4      423.6
    2   2   0   0  6.079  12.158   0.069  175.38    2       91.4     1046.8
    3   2   0  -1  6.319  12.638   0.071  162.12    2       12.6       18.5
    4   2   0   1  8.81   17.621   0.099   82.32    2       21.2       26.5
    5   2   0  -2  9.308  18.616   0.105   73.52    2       10.1        5.4
    6   0   0   2  9.332  18.663   0.105   73.14    2       82.7      357.4
    7   4   0  -1 11.549  23.099   0.13    47.01    2       72.0      174.1
    8   4   0   0 12.228  24.455   0.137   41.71    2       48.1       68.9
    9   1   1   0 12.683  25.366   0.143   38.62    4        8.9        4.3
   10   4   0  -2 12.717  25.434   0.143   38.41    2       24.6       16.7
   11   2   0   2 12.769  25.538   0.143   38.08    2       69.1      129.7
   12   1   1  -1 13.174  26.348   0.148   35.65    4      141.3     1016.2
   13   2   0  -3 13.355  26.71    0.15    34.64    2       31.0       23.7
   14   1   1   1 13.888  27.777   0.156   31.88    4      105.8      509.4
   15   0   0   3 14.077  28.154   0.158   30.97    2       68.1      102.6
   16   4   0   1 14.51   29.02    0.163   29.04    2      207.6      893.5
   17   3   1  -1 15.195  30.39    0.17    26.31    4       11.5        5.0
   18   1   1  -2 15.209  30.419   0.17    26.25    4       29.0       31.6
   19   4   0  -3 15.339  30.679   0.172   25.78    2      191.4      674.1
   20   3   1   0 15.413  30.826   0.173   25.51    4       98.2      351.4
   21   3   1  -2 16.42   32.841   0.183   22.26    4      128.6      525.5
   22   1   1   2 16.448  32.896   0.184   22.17    4       32.8       34.1
   23   3   1   1 17.024  34.048   0.19    20.58    4       75.0      165.2
   24   2   0   3 17.195  34.389   0.192   20.14    2       50.7       37.0
   25   6   0  -1 17.506  35.012   0.195   19.36    2       35.3       17.2
   26   6   0  -2 17.774  35.548   0.198   18.73    2       42.7       24.4
   27   2   0  -4 17.824  35.648   0.199   18.61    2      107.6      153.7
   28   4   0   2 17.838  35.677   0.199   18.58    2       14.9        2.9
   29   1   1  -3 18.325  36.651   0.204   17.52    4       88.2      194.3
   30   6   0   0 18.523  37.047   0.206   17.11    2        5.8        0.4
   31   3   1  -3 18.839  37.677   0.21    16.48    4        8.8        1.8
   32   4   0  -4 18.874  37.748   0.21    16.41    2       75.8       67.3
   33   0   0   4 18.923  37.846   0.211   16.32    2      104.3      126.8
   34   5   1  -1 19.175  38.35    0.213   15.85    4       20.1        9.1
   35   6   0  -3 19.281  38.562   0.214   15.66    2       48.1       25.8
   36   5   1  -2 19.681  39.362   0.219   14.96    4        4.6        0.4
   37   3   1   2 19.728  39.456   0.219   14.88    4        4.2        0.4
   38   5   1   0 19.867  39.734   0.221   14.65    4       64.8       87.7
   39   1   1   3 19.901  39.803   0.221   14.6     4       26.4       14.5
   40   6   0   1 20.663  41.326   0.229   13.42    2      196.3      369.3
   41   5   1  -3 21.313  42.626   0.236   12.52    4       43.4       33.7
   42   5   1   1 21.661  43.322   0.24    12.08    4       10.7        2.0
   43   6   0  -4 21.809  43.619   0.241   11.89    2       60.0       30.6
   44   4   0   3 21.811  43.623   0.241   11.89    2       62.6       33.3
   45   2   0   4 21.896  43.792   0.242   11.79    2        8.9        0.7
   46   3   1  -4 22.118  44.237   0.244   11.52    4       38.8       24.8
   47   1   1  -4 22.14   44.28    0.245   11.5     4       63.5       66.2
   48   2   0  -5 22.559  45.119   0.249   11.02    2       61.5       29.7
   49   4   0  -5 22.983  45.966   0.253   10.57    2      223.2      375.7
   50   3   1   3 23.21   46.42    0.256   10.33    4        4.6        0.3
   51   8   0  -2 23.605  47.209   0.26     9.95    2      108.7       83.9
   52   6   0   2 23.676  47.352   0.261    9.88    2       86.2       52.4
   53   8   0  -1 23.836  47.672   0.262    9.73    2       15.7        1.7
   54   5   1  -4 23.884  47.768   0.263    9.68    4       61.2       51.8
   55   0   0   5 23.914  47.829   0.263    9.66    2       19.2        2.5
   56   1   1   4 23.945  47.89    0.263    9.63    4       23.3        7.4
   57   7   1  -2 24.301  48.603   0.267    9.31    4       29.3       11.4
   58   7   1  -1 24.312  48.623   0.267    9.3     4      115.3      176.6
   59   5   1   2 24.361  48.722   0.268    9.26    4       88.8      104.1
   60   8   0  -3 24.389  48.779   0.268    9.24    2       18.5        2.2
   61   8   0   0 25.061  50.123   0.275    8.68    2       80.5       40.2
   62   6   0  -5 25.117  50.233   0.276    8.64    2       73.5       33.3
   63   0   2   0 25.224  50.448   0.277    8.55    2      327.5      654.8
   64   7   1  -3 25.281  50.561   0.277    8.51    4       28.4        9.8
   65   7   1   0 25.311  50.621   0.278    8.49    4       77.8       73.4
   66   0   2   1 25.709  51.418   0.282    8.19    4       32.4       12.3
   67   3   1  -5 26.018  52.036   0.285    7.97    4       24.4        6.8
   68   2   2   0 26.048  52.095   0.285    7.95    4       67.1       51.1
   69   2   2  -1 26.113  52.226   0.286    7.91    4        9.5        1.0
   70   8   0  -4 26.121  52.242   0.286    7.9     2      128.4       93.0
   71   4   0   4 26.235  52.469   0.287    7.82    2       23.8        3.1
   72   1   1  -5 26.447  52.894   0.289    7.68    4        9.5        1.0
   73   2   0   5 26.844  53.687   0.293    7.42    2       29.8        4.7
   74   2   2   1 26.926  53.853   0.294    7.37    4       17.7        3.3
   75   2   2  -2 27.118  54.235   0.296    7.25    4        8.3        0.7
   76   0   2   2 27.127  54.254   0.296    7.25    4       61.8       39.6
   77   7   1  -4 27.171  54.343   0.296    7.22    4       15.0        2.3
   78   8   0   1 27.183  54.365   0.297    7.22    2       12.2        0.8
   79   5   1  -5 27.198  54.396   0.297    7.21    4       82.3       69.7
   80   7   1   1 27.219  54.437   0.297    7.19    4       48.2       23.9
   81   3   1   4 27.263  54.527   0.297    7.17    4       71.3       52.0
   82   6   0   3 27.355  54.709   0.298    7.11    2      111.4       63.0
   83   4   0  -6 27.514  55.029   0.3      7.02    2       34.8        6.1
   84   2   0  -6 27.542  55.084   0.3      7.0     2       35.6        6.3
   85   5   1   3 27.778  55.555   0.303    6.87    4       89.9       79.2
   86   4   2  -1 28.089  56.178   0.306    6.7     4       54.9       28.8
   87   4   2   0 28.417  56.834   0.309    6.52    4       38.8       14.0
   88   1   1   5 28.434  56.868   0.309    6.51    4       13.7        1.7
   89   4   2  -2 28.663  57.326   0.311    6.4     4       20.2        3.7
   90   8   0  -5 28.679  57.358   0.312    6.39    2       23.3        2.5
   91   2   2   2 28.69   57.379   0.312    6.38    4       54.5       27.1
   92   2   2  -3 28.995  57.99    0.315    6.23    4       25.1        5.6
   93   6   0  -6 29.028  58.056   0.315    6.22    2       18.5        1.5
   94   0   0   6 29.107  58.215   0.316    6.18    2      175.4      135.6
   95   0   2   3 29.385  58.771   0.319    6.05    4       52.5       23.8
   96   4   2   1 29.627  59.254   0.321    5.94    4      166.9      236.2
   97   9   1  -2 29.85   59.699   0.323    5.84    4       38.7       12.5
   98   7   1  -5 29.857  59.713   0.323    5.84    4      112.8      106.1
   99   7   1   2 29.919  59.838   0.324    5.81    4       24.7        5.1
  100  10   0  -2 29.995  59.99    0.325    5.78    2      175.2      126.5
  101   8   0   2 30.073  60.145   0.325    5.74    2      130.8       70.2
  102   4   2  -3 30.105  60.21    0.326    5.73    4      152.5      190.1
  103   9   1  -1 30.233  60.467   0.327    5.67    4       98.3       78.2
  104  10   0  -3 30.292  60.584   0.327    5.65    2       67.2       18.2
  105   9   1  -3 30.334  60.669   0.328    5.63    4       59.3       28.3
  106   3   1  -6 30.409  60.819   0.329    5.6     4      149.8      179.5
  107  10   0  -1 30.564  61.127   0.33     5.54    2        6.4        0.2
  108   4   0   5 31.042  62.084   0.335    5.35    2      165.8      105.0
  109   5   1  -6 31.115  62.23    0.335    5.32    4      166.0      209.4
  110   1   1  -6 31.166  62.331   0.336    5.3     4       47.8       17.3
  111   2   2   3 31.242  62.484   0.337    5.28    4       37.9       10.8
  112  10   0  -4 31.44   62.88    0.339    5.2     2       78.7       23.0
  113   6   2  -1 31.441  62.883   0.339    5.2     4       29.4        6.4
  114   9   1   0 31.467  62.934   0.339    5.19    4       78.5       45.6
  115   6   0   4 31.575  63.149   0.34     5.15    2       67.7       16.8
  116   6   2  -2 31.615  63.23    0.34     5.14    4       31.3        7.2
  117   2   2  -4 31.648  63.295   0.341    5.13    4       77.3       43.7
  118   4   2   2 31.657  63.314   0.341    5.13    4       11.1        0.9
  119   9   1  -4 31.664  63.328   0.341    5.12    4       26.2        5.0
  120   5   1   4 31.781  63.562   0.342    5.08    4      114.9       95.8
  121   3   1   5 31.789  63.577   0.342    5.08    4       29.0        6.1
  122   8   0  -6 31.943  63.886   0.343    5.03    2       50.9        9.3
  123  10   0   0 31.971  63.941   0.344    5.02    2       46.7        7.8
  124   2   0   6 32.068  64.136   0.345    4.98    2      109.7       42.8
  125   6   2   0 32.11   64.22    0.345    4.97    4       12.1        1.0
  126   4   2  -4 32.346  64.692   0.347    4.89    4       57.1       22.8
  127   0   2   4 32.379  64.758   0.348    4.88    4       95.6       63.7
  128   4   0  -7 32.426  64.852   0.348    4.86    2       48.6        8.2
  129   6   2  -3 32.623  65.247   0.35     4.8     4       49.4       16.8
  130   2   0  -7 32.809  65.618   0.352    4.74    2       15.6        0.8
  131   7   1  -6 33.229  66.458   0.356    4.62    4       11.4        0.9
  132   7   1   3 33.304  66.609   0.356    4.59    4       22.2        3.2
  133   1   1   6 33.327  66.654   0.357    4.59    4       60.6       24.1
  134  10   0  -5 33.39   66.78    0.357    4.57    2       15.4        0.8
  135   6   0  -7 33.453  66.907   0.358    4.55    2       77.7       19.6
  136   9   1   1 33.497  66.994   0.358    4.54    4      103.5       69.4
  137   6   2   1 33.593  67.186   0.359    4.51    4      145.0      135.4
  138   8   0   3 33.626  67.251   0.359    4.5     2       26.1        2.2
  139   9   1  -5 33.783  67.566   0.361    4.46    4      121.8       94.5
  140  10   0   1 34.16   68.32    0.364    4.36    2       99.4       30.7
  141   6   2  -4 34.428  68.855   0.367    4.29    4       39.9        9.7
  142   4   2   3 34.429  68.858   0.367    4.29    4       49.7       15.1
  143   2   2   4 34.492  68.984   0.368    4.27    4       11.6        0.8
  144   0   0   7 34.578  69.155   0.368    4.25    2       38.0        4.4
  145   2   2  -5 34.988  69.976   0.372    4.15    4       48.7       14.0
  146   3   1  -7 35.254  70.507   0.375    4.08    4       12.1        0.9
  147   4   2  -5 35.309  70.618   0.375    4.07    4      171.2      170.4
  148   5   1  -7 35.566  71.132   0.378    4.01    4        7.1        0.3
  149   8   2  -2 35.786  71.573   0.38     3.97    4       92.5       48.5
  150   8   0  -7 35.83   71.661   0.38     3.96    2       89.7       22.7
  151   6   2   2 35.842  71.683   0.38     3.95    4       61.2       21.1
  152   8   2  -1 35.966  71.931   0.381    3.93    4       10.0        0.6
  153   0   2   5 36.027  72.054   0.382    3.91    4       18.3        1.9
  154  10   0  -6 36.08   72.159   0.382    3.9     2       64.0       11.4
  155  11   1  -2 36.183  72.365   0.383    3.88    4       52.6       15.3
  156   4   0   6 36.245  72.489   0.384    3.87    2       18.3        0.9
  157   9   1   2 36.261  72.523   0.384    3.86    4       71.1       27.9
  158  11   1  -3 36.283  72.566   0.384    3.86    4       90.1       44.8
  159   6   0   5 36.292  72.584   0.384    3.86    2       24.6        1.7
  160   1   1  -7 36.297  72.594   0.384    3.86    4       47.4       12.4
  161   5   1   5 36.315  72.629   0.384    3.85    4        4.9        0.1
  162   8   2  -3 36.399  72.798   0.385    3.84    4       17.9        1.8
  163   9   1  -6 36.629  73.258   0.387    3.79    4       33.6        6.1
  164   3   1   6 36.769  73.539   0.389    3.76    4        5.8        0.2
  165  11   1  -1 36.87   73.741   0.389    3.74    4       12.4        0.8
  166  12   0  -3 36.916  73.831   0.39     3.74    2        4.2        0.0
  167   8   2   0 36.932  73.864   0.39     3.73    4       60.2       19.3
  168   6   2  -5 36.976  73.952   0.39     3.72    4       54.7       15.9
  169  12   0  -2 36.985  73.971   0.391    3.72    2       17.4        0.8
  170  10   0   2 37.071  74.142   0.391    3.71    2       91.2       22.0
  171  11   1  -4 37.168  74.337   0.392    3.69    4       43.3        9.9
  172   7   1  -7 37.22   74.441   0.393    3.68    4       44.0       10.2
  173   7   1   4 37.308  74.617   0.393    3.66    4        3.1        0.1
  174  12   0  -4 37.628  75.255   0.396    3.61    2        1.8        0.0
  175   2   0   7 37.643  75.286   0.396    3.6     2        8.0        0.2
  176   4   0  -8 37.748  75.496   0.397    3.59    2       36.4        3.4
  177   8   0   4 37.782  75.565   0.398    3.58    2       58.6        8.8
  178   8   2  -4 37.788  75.575   0.398    3.58    4      103.8       55.0
  179  12   0  -1 37.835  75.67    0.398    3.57    2       86.9       19.3
  180   4   2   4 37.881  75.761   0.399    3.56    4       24.0        2.9
  181  11   1   0 38.33   76.66    0.403    3.49    4       56.9       16.1
  182   6   0  -8 38.379  76.758   0.403    3.48    2       29.3        2.1
  183   2   2   5 38.382  76.763   0.403    3.48    4       23.4        2.7
  184   2   0  -8 38.44   76.881   0.404    3.47    2       45.3        5.1
  185   1   1   7 38.654  77.308   0.405    3.44    4      158.3      123.1
  186   8   2   1 38.663  77.326   0.406    3.44    4       13.6        0.9
  187   6   2   3 38.807  77.614   0.407    3.42    4       88.9       38.6
  188  11   1  -5 38.82   77.639   0.407    3.42    4       63.8       19.8
  189   4   2  -6 38.94   77.881   0.408    3.4     4       29.2        4.1
  190   2   2  -6 38.963  77.927   0.408    3.39    4       28.5        3.9
  191  12   0  -5 39.107  78.213   0.409    3.37    2       20.9        1.1
  192  12   0   0 39.448  78.897   0.412    3.33    2        0.7        0.0
  193  10   0  -7 39.459  78.919   0.413    3.33    2       20.8        1.0
  194   9   1   3 39.712  79.424   0.415    3.29    4       12.8        0.8
  195   1   3   0 39.898  79.796   0.416    3.27    4        7.9        0.3
  196   8   2  -5 39.927  79.853   0.417    3.26    4       17.7        1.5
  197   1   3  -1 40.116  80.231   0.418    3.24    4       87.7       35.6
  198   9   1  -7 40.158  80.315   0.419    3.24    4       23.2        2.5
  199   6   2  -6 40.226  80.452   0.419    3.23    4       14.4        1.0
  200   0   2   6 40.294  80.589   0.42     3.22    4      140.9       91.2
  201   8   0  -8 40.314  80.629   0.42     3.22    2       94.7       20.6
  202   0   0   8 40.436  80.872   0.421    3.2     2       32.3        2.4
  203   1   3   1 40.445  80.89    0.421    3.2     4       68.5       21.4
  204  11   1   1 40.536  81.072   0.422    3.19    4       33.4        5.1
  205   5   1  -8 40.554  81.109   0.422    3.19    4       26.3        3.1
  206   3   1  -8 40.585  81.169   0.422    3.18    4       42.6        8.2
  207  10   0   3 40.663  81.327   0.423    3.18    2       22.9        1.2
  208  10   2  -2 41.065  82.13    0.426    3.13    4      142.3       90.6
  209   3   3  -1 41.087  82.174   0.427    3.13    4        2.3        0.0
  210   1   3  -2 41.094  82.189   0.427    3.13    4       21.2        2.0
  211   8   2   2 41.133  82.266   0.427    3.12    4      108.1       52.1
  212   3   3   0 41.199  82.398   0.428    3.12    4       64.3       18.4
  213  11   1  -6 41.212  82.423   0.428    3.12    4       87.6       34.1
  214  10   2  -3 41.325  82.65    0.429    3.1     4       53.7       12.8
  215  12   0  -6 41.331  82.661   0.429    3.1     2       18.3        0.7
  216   5   1   6 41.393  82.786   0.429    3.1     4       33.4        4.9
  217   6   0   6 41.535  83.069   0.43     3.08    2       27.2        1.6
  218  10   2  -1 41.564  83.128   0.431    3.08    4        6.2        0.2
  219   3   3  -2 41.735  83.469   0.432    3.06    4       90.4       35.7
  220   1   3   2 41.75   83.499   0.432    3.06    4       24.6        2.6
  221  12   0   1 41.803  83.606   0.433    3.06    2       32.7        2.3
  222   7   1  -8 41.821  83.641   0.433    3.05    4        5.8        0.1
  223   1   1  -8 41.911  83.822   0.434    3.05    4        7.8        0.3
  224   4   0   7 41.92   83.841   0.434    3.05    2       97.4       20.6
  225   7   1   5 41.921  83.843   0.434    3.05    4       97.3       41.1
  226   4   2   5 41.988  83.975   0.434    3.04    4      134.4       78.4
  227   3   3   1 42.069  84.138   0.435    3.03    4       43.5        8.2
  228   3   1   7 42.261  84.523   0.437    3.01    4       15.4        1.0
  229  10   2  -4 42.343  84.685   0.437    3.01    4       61.9       16.4
  230   6   2   4 42.463  84.926   0.438    3.0     4       56.5       13.7
  231   8   0   5 42.545  85.09    0.439    2.99    2       53.5        6.1
  232   8   2  -6 42.794  85.587   0.441    2.97    4       44.4        8.4
  233  10   2   0 42.819  85.637   0.441    2.97    4       38.7        6.3
  234   1   3  -3 42.825  85.65    0.441    2.97    4       68.8       20.0
  235   2   2   6 42.906  85.813   0.442    2.96    4       89.4       33.8
  236   3   3  -3 43.136  86.272   0.444    2.94    4        5.1        0.1
  237  13   1  -3 43.151  86.302   0.444    2.94    4       17.8        1.3
  238   4   2  -7 43.23   86.461   0.445    2.94    4       42.7        7.7
  239   5   3  -1 43.343  86.687   0.446    2.93    4       22.8        2.2
  240  13   1  -2 43.381  86.761   0.446    2.93    4       89.9       33.7
  241  11   1   2 43.471  86.942   0.447    2.92    4       64.7       17.5
  242  10   0  -8 43.517  87.035   0.447    2.92    2       54.2        6.1
  243   4   0  -9 43.577  87.154   0.447    2.91    2       89.5       16.6
  244   2   2  -7 43.578  87.157   0.447    2.91    4       12.0        0.6
  245   5   3  -2 43.661  87.322   0.448    2.91    4       28.3        3.3
  246  13   1  -4 43.675  87.351   0.448    2.91    4      109.4       49.6
  247   3   3   2 43.691  87.382   0.448    2.9     4        9.1        0.3
  248   2   0   8 43.697  87.395   0.448    2.9     2        1.5        0.0
  249   5   3   0 43.78   87.56    0.449    2.9     4       55.3       12.6
  250   1   3   3 43.802  87.604   0.449    2.9     4       43.1        7.7
  251   9   1   4 43.84   87.681   0.45     2.89    4       84.2       29.3
  252   6   0  -9 43.865  87.729   0.45     2.89    2       40.6        3.4
  253  10   2  -5 44.111  88.221   0.452    2.88    4       13.3        0.7
  254   6   2  -7 44.169  88.338   0.452    2.87    4       64.3       17.0
  255  12   0  -7 44.287  88.573   0.453    2.87    2       99.3       20.2
  256   8   2   3 44.328  88.655   0.454    2.86    4       20.9        1.8
  257  11   1  -7 44.331  88.662   0.454    2.86    4       16.2        1.1
  258  13   1  -1 44.364  88.729   0.454    2.86    4       81.8       27.4
  259   9   1  -8 44.367  88.735   0.454    2.86    4       43.9        7.9
  260  14   0  -3 44.4    88.8     0.454    2.86    2       28.5        1.7
  261   1   1   8 44.517  89.034   0.455    2.85    4       46.9        9.0
  262   2   0  -9 44.575  89.15    0.456    2.85    2       33.9        2.3
  263   5   3  -3 44.732  89.464   0.457    2.84    4       25.4        2.6
  264  14   0  -4 44.761  89.523   0.457    2.84    2       39.1        3.1
  265  14   0  -2 44.792  89.585   0.457    2.84    2       63.7        8.2
  266  10   2   1 44.822  89.645   0.458    2.84    4       82.9       27.9
  267  12   0   2 44.89   89.779   0.458    2.83    2       14.1        0.4
  268  10   0   4 44.941  89.882   0.459    2.83    2       77.4       12.1
  269  13   1  -5 44.953  89.905   0.459    2.83    4       66.5       17.9
  270   5   3   1 44.969  89.939   0.459    2.83    4        2.7        0.0


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

  No   H   K   L   Theta 2*Theta    d           I int   I int.n.  I p.h.n.   H(Si)
                    ( degree )   (angstrem)     *100                         *100

    1   0   0   1   4.65    9.301  9.50088      423.6     40.5     40.5     5.6
    2   2   0   0   6.079  12.158  7.27385     1046.8    100.0    100.0     5.6
    3   2   0  -1   6.319  12.638  6.99826       18.5      1.8      1.8     5.6
    4   2   0   1   8.81   17.621  5.02906       26.5      2.5      2.5     5.6
    5   0   0   2   9.332  18.663  4.75044      362.7     34.7     34.5     5.6
    6   4   0  -1  11.549  23.099  3.84731      174.1     16.6     16.5     5.6
    7   4   0   0  12.228  24.455  3.63692       68.9      6.6      6.5     5.6
    8   4   0  -2  12.717  25.434  3.49913       16.7      1.6      1.6     5.6
    9   2   0   2  12.769  25.538  3.48505      129.7     12.4     12.3     5.6
   10   1   1  -1  13.174  26.348  3.37975     1016.2     97.1     96.2     5.6
   11   2   0  -3  13.355  26.71   3.33475       23.7      2.3      2.2     5.6
   12   1   1   1  13.888  27.777  3.20907      509.4     48.7     48.1     5.6
   13   0   0   3  14.077  28.154  3.16696      102.6      9.8      9.7     5.6
   14   4   0   1  14.51   29.02   3.07437      893.5     85.4     84.4     5.6
   15   1   1  -2  15.209  30.419  2.93611       36.6      3.5      3.5     5.6
   16   4   0  -3  15.339  30.679  2.91181      674.1     64.4     63.6     5.6
   17   3   1   0  15.413  30.826  2.89828      351.4     33.6     33.1     5.6
   18   3   1  -2  16.42   32.841  2.72489      559.6     53.5     52.7     5.6
   19   3   1   1  17.024  34.048  2.63097      165.2     15.8     15.5     5.7
   20   2   0   3  17.195  34.389  2.60567       37.0      3.5      3.5     5.7
   21   6   0  -1  17.506  35.012  2.56073       17.2      1.6      1.6     5.7
   22   6   0  -2  17.774  35.548  2.52333       24.4      2.3      2.3     5.7
   23   2   0  -4  17.824  35.648  2.51648      156.7     15.0     14.7     5.7
   24   1   1  -3  18.325  36.651  2.4499       194.3     18.6     18.2     5.7
   25   4   0  -4  18.874  37.748  2.38115       67.3      6.4      6.3     5.7
   26   0   0   4  18.923  37.846  2.37522      126.8     12.1     11.9     5.7
   27   6   0  -3  19.281  38.562  2.33275       25.8      2.5      2.4     5.7
   28   5   1   0  19.867  39.734  2.26659       87.7      8.4      8.2     5.7
   29   1   1   3  19.901  39.803  2.26286       14.5      1.4      1.4     5.7
   30   6   0   1  20.663  41.326  2.18289      369.3     35.3     34.5     5.7
   31   5   1  -3  21.313  42.626  2.11928       33.7      3.2      3.1     5.7
   32   4   0   3  21.811  43.623  2.07315       63.9      6.1      5.9     5.7
   33   1   1  -4  22.14   44.28   2.04389       91.0      8.7      8.5     5.7
   34   2   0  -5  22.559  45.119  2.00782       29.7      2.8      2.8     5.7
   35   4   0  -5  22.983  45.966  1.97275      375.7     35.9     34.9     5.7
   36   8   0  -2  23.605  47.209  1.92366       83.9      8.0      7.8     5.7
   37   6   0   2  23.676  47.352  1.91819       52.4      5.0      4.9     5.7
   38   5   1  -4  23.884  47.768  1.90244       51.8      5.0      4.8     5.7
   39   7   1  -1  24.312  48.623  1.87098      188.0     18.0     17.4     5.7
   40   5   1   2  24.361  48.722  1.8674       106.4     10.2      9.9     5.7
   41   8   0   0  25.061  50.123  1.81846       40.2      3.8      3.7     5.7
   42   6   0  -5  25.117  50.233  1.81472       33.3      3.2      3.1     5.8
   43   0   2   0  25.224  50.448  1.8075       654.8     62.6     60.5     5.8
   44   7   1   0  25.311  50.621  1.80172       73.4      7.0      6.8     5.8
   45   0   2   1  25.709  51.418  1.77565       12.3      1.2      1.1     5.8
   46   2   2   0  26.048  52.095  1.75415       51.1      4.9      4.7     5.8
   47   8   0  -4  26.121  52.242  1.74957       94.0      9.0      8.7     5.8
   48   0   2   2  27.127  54.254  1.68935       39.6      3.8      3.6     5.8
   49   5   1  -5  27.198  54.396  1.68526       96.7      9.2      8.9     5.8
   50   3   1   4  27.263  54.527  1.68153       52.0      5.0      4.8     5.8
   51   6   0   3  27.355  54.709  1.67635       63.0      6.0      5.8     5.8
   52   2   0  -6  27.542  55.084  1.66584       12.4      1.2      1.1     5.8
   53   5   1   3  27.778  55.555  1.65282       79.2      7.6      7.3     5.8
   54   4   2  -1  28.089  56.178  1.63595       28.8      2.7      2.6     5.8
   55   4   2   0  28.417  56.834  1.61862       15.7      1.5      1.4     5.8
   56   2   2   2  28.69   57.379  1.60453       33.3      3.2      3.0     5.8
   57   0   0   6  29.107  58.215  1.58348      135.6     13.0     12.4     5.8
   58   0   2   3  29.385  58.771  1.56982       23.8      2.3      2.2     5.8
   59   4   2   1  29.627  59.254  1.55816      236.2     22.6     21.6     5.8
   60   7   1  -5  29.857  59.713  1.54727      118.5     11.3     10.8     5.8
   61  10   0  -2  29.995  59.99   1.5408       126.5     12.1     11.5     5.8
   62   8   0   2  30.073  60.145  1.53718       70.2      6.7      6.4     5.8
   63   4   2  -3  30.105  60.21   1.53568      190.1     18.2     17.3     5.8
   64   9   1  -1  30.233  60.467  1.52978       78.2      7.5      7.1     5.8
   65  10   0  -3  30.292  60.584  1.5271        18.2      1.7      1.7     5.8
   66   9   1  -3  30.334  60.669  1.52517       28.3      2.7      2.6     5.8
   67   3   1  -6  30.409  60.819  1.52177      179.5     17.1     16.4     5.8
   68   4   0   5  31.042  62.084  1.49376      105.0     10.0      9.5     5.8
   69   5   1  -6  31.115  62.23   1.49061      209.4     20.0     19.0     5.8
   70   1   1  -6  31.166  62.331  1.48843       17.3      1.7      1.6     5.8
   71   2   2   3  31.242  62.484  1.48516       10.8      1.0      1.0     5.8
   72   9   1   0  31.467  62.934  1.47561       75.0      7.2      6.8     5.9
   73   6   0   4  31.575  63.149  1.4711        16.8      1.6      1.5     5.9
   74   2   2  -4  31.648  63.295  1.46805       49.7      4.7      4.5     5.9
   75   5   1   4  31.781  63.562  1.46254      101.9      9.7      9.2     5.9
   76   8   0  -6  31.943  63.886  1.4559        17.1      1.6      1.5     5.9
   77   2   0   6  32.068  64.136  1.45083       42.8      4.1      3.9     5.9
   78   4   2  -4  32.346  64.692  1.4397        22.8      2.2      2.1     5.9
   79   0   2   4  32.379  64.758  1.43838       63.7      6.1      5.8     5.9
   80   6   2  -3  32.623  65.247  1.42879       16.8      1.6      1.5     5.9
   81   1   1   6  33.327  66.654  1.40201       27.3      2.6      2.5     5.9
   82   6   0  -7  33.453  66.907  1.39731       19.6      1.9      1.8     5.9
   83   9   1   1  33.497  66.994  1.3957        69.4      6.6      6.3     5.9
   84   6   2   1  33.593  67.186  1.39218      135.4     12.9     12.2     5.9
   85   9   1  -5  33.783  67.566  1.38528       94.5      9.0      8.5     5.9
   86  10   0   1  34.16   68.32   1.37181       30.7      2.9      2.8     5.9
   87   4   2   3  34.429  68.858  1.3624        24.8      2.4      2.2     5.9
   88   2   2  -5  34.988  69.976  1.34335       14.0      1.3      1.3     5.9
   89   4   2  -5  35.309  70.618  1.33269      170.4     16.3     15.3     5.9
   90   8   2  -2  35.786  71.573  1.31725       48.5      4.6      4.3     5.9
   91   8   0  -7  35.83   71.661  1.31584       43.8      4.2      3.9     5.9
   92  10   0  -6  36.08   72.159  1.30798       11.4      1.1      1.0     5.9
   93  11   1  -2  36.183  72.365  1.30476       15.3      1.5      1.4     5.9
   94  11   1  -3  36.283  72.566  1.30165       86.9      8.3      7.8     6.0
   95   8   2   0  36.932  73.864  1.28195       19.3      1.8      1.7     6.0
   96   6   2  -5  36.976  73.952  1.28064       16.7      1.6      1.5     6.0
   97  10   0   2  37.071  74.142  1.27783       22.0      2.1      2.0     6.0
   98   8   2  -4  37.788  75.575  1.25711       63.8      6.1      5.7     6.0
   99  12   0  -1  37.835  75.67   1.25577       19.3      1.8      1.7     6.0
  100  11   1   0  38.33   76.66   1.24201       16.1      1.5      1.4     6.0
  101   1   1   7  38.654  77.308  1.23321      124.0     11.8     11.0     6.0
  102   6   2   3  38.807  77.614  1.22911       58.4      5.6      5.2     6.0
  103   1   3  -1  40.116  80.231  1.19547       35.6      3.4      3.1     6.0
  104   0   2   6  40.294  80.589  1.19106      111.8     10.7      9.8     6.1
  105   1   3   1  40.445  80.89   1.18739       23.8      2.3      2.1     6.1
  106  10   2  -2  41.065  82.13   1.17258       92.6      8.8      8.1     6.1
  107   8   2   2  41.133  82.266  1.17098       52.1      5.0      4.6     6.1
  108  11   1  -6  41.212  82.423  1.16914       52.5      5.0      4.6     6.1
  109  10   2  -3  41.325  82.65   1.16651       13.5      1.3      1.2     6.1
  110   3   3  -2  41.735  83.469  1.15713       38.4      3.7      3.3     6.1
  111   7   1   5  41.921  83.843  1.15292       61.8      5.9      5.4     6.1
  112   4   2   5  41.988  83.975  1.15144       78.4      7.5      6.8     6.1
  113  10   2  -4  42.343  84.685  1.14359       16.4      1.6      1.4     6.1
  114   6   2   4  42.463  84.926  1.14096       13.7      1.3      1.2     6.1
  115   8   2  -6  42.794  85.587  1.13383       14.7      1.4      1.3     6.1
  116   1   3  -3  42.825  85.65   1.13316       20.0      1.9      1.7     6.1
  117   2   2   6  42.906  85.813  1.13143       33.8      3.2      2.9     6.1
  118  13   1  -2  43.381  86.761  1.12148       33.7      3.2      2.9     6.1
  119  11   1   2  43.471  86.942  1.11962       17.5      1.7      1.5     6.1
  120   4   0  -9  43.577  87.154  1.11744       17.2      1.6      1.5     6.2
  121  13   1  -4  43.675  87.351  1.11542       53.3      5.1      4.6     6.2
  122   5   3   0  43.78   87.56   1.1133        20.3      1.9      1.8     6.2
  123   9   1   4  43.84   87.681  1.11208       32.7      3.1      2.8     6.2
  124   6   2  -7  44.169  88.338  1.10549       17.0      1.6      1.5     6.2
  125  12   0  -7  44.287  88.573  1.10316       20.2      1.9      1.7     6.2
  126  13   1  -1  44.364  88.729  1.10163       35.2      3.4      3.0     6.2
  127  10   2   1  44.822  89.645  1.09273       36.1      3.4      3.1     6.2
  128  13   1  -5  44.953  89.905  1.09024       30.0      2.9      2.6     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)