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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VISHNEVITE

1, K, f-feldspathoid, s-cancrinite, DF

K(0.5)Na(0.76)[SiAlO(4)][SO(4)](0.13.0.33H(2)O


Hexagonal  P 6(3)  Z = 6

R =0.063          NR =677

3 .7 .1992

Ref.Str.:

         Puscharovsky D.Ju., Yamnova N.A., Homyakov A.P.(1989)

         * Kristallogr., 34, 1, 67-70

                   Initial data from BDM-file 

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

             a =  12.839    alpha =   90.0 
             b =  12.839    beta  =   90.0 
             c =   5.272    gamma =  120.0 

    Unit cell volume (cub. angs.) =   752.61

    Molar volume ( cub.cm/mol.) =    75.55

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

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

   1 0.3333  0.6667  0.132    2.5    Na    = 1.00
   2 0.156   0.3149  0.79     0.8    Na    = 0.43, Na    = 0.0 
   3 0.2225  0.1126  0.294    1.6    K     = 0.5 , K     = 0.0 
   4 0.4154  0.0841  0.76     0.61   Si    = 1.00
   5 0.416   0.3396  0.763    0.67   Al    = 1.00
   6 0.0     0.0     0.307    0.5    S     = 0.13, S     = 0.0 
   7 0.4032  0.2005  0.704    1.1    O     = 1.00
   8 0.5568  0.1275  0.746    1.9    O     = 1.00
   9 0.3292  0.3605  0.538    1.0    O     = 1.00
  10 0.3357  0.9813  0.559    1.5    O     = 1.00
  11 0.0     0.0     0.53     1.4    O     = 0.13, O     = 0.0 
  12 0.118   0.058   0.41     2.9    O     = 0.39, O     = 0.0 
  13 0.608   0.309   0.202    3.9    H(2)O = 0.27, H(2)O = 0.0 
  14 0.65    0.38    0.18     4.2    H(2)O = 0.06, H(2)O = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3333     0.6667     0.132 
     2       2     0.156      0.3149     0.79  
     3       3     0.2225     0.1126     0.294 
     4       4     0.4154     0.0841     0.76  
     5       5     0.416      0.3396     0.763 
     6       6     0.0        0.0        0.307 
     7       7     0.4032     0.2005     0.704 
     8       8     0.5568     0.1275     0.746 
     9       9     0.3292     0.3605     0.538 
    10      10     0.3357     0.9813     0.559 
    11      11     0.0        0.0        0.53  
    12      12     0.118      0.058      0.41  
    13      13     0.608      0.309      0.202 
    14      14     0.65       0.38       0.18  
    15       2     0.6851     0.8411     0.79  
    16       2     0.1589     0.844      0.79  
    17       3     0.8874     0.1099     0.294 
    18       3     0.8901     0.7775     0.294 
    19       4     0.9159     0.3313     0.76  
    20       4     0.6687     0.5846     0.76  
    21       5     0.6604     0.0764     0.763 
    22       5     0.9236     0.584      0.763 
    23       7     0.7995     0.2027     0.704 
    24       7     0.7973     0.5968     0.704 
    25       8     0.8725     0.4293     0.746 
    26       8     0.5707     0.4432     0.746 
    27       9     0.6395     0.9687     0.538 
    28       9     0.0313     0.6708     0.538 
    29      10     0.0187     0.3544     0.559 
    30      10     0.6456     0.6643     0.559 
    31      12     0.942      0.06       0.41  
    32      12     0.94       0.882      0.41  
    33      13     0.691      0.299      0.202 
    34      13     0.701      0.392      0.202 
    35      14     0.62       0.27       0.18  
    36      14     0.73       0.35       0.18  
    37       1     0.6667     0.3333     0.632 
    38       2     0.844      0.6851     0.29  
    39       3     0.7775     0.8874     0.794 
    40       4     0.5846     0.9159     0.26  
    41       5     0.584      0.6604     0.263 
    42       6     0.0        0.0        0.807 
    43       7     0.5968     0.7995     0.204 
    44       8     0.4432     0.8725     0.246 
    45       9     0.6708     0.6395     0.038 
    46      10     0.6643     0.0187     0.059 
    47      11     0.0        0.0        0.03  
    48      12     0.882      0.942      0.91  
    49      13     0.392      0.691      0.702 
    50      14     0.35       0.62       0.68  
    51       2     0.3149     0.1589     0.29  
    52       2     0.8411     0.156      0.29  
    53       3     0.1126     0.8901     0.794 
    54       3     0.1099     0.2225     0.794 
    55       4     0.0841     0.6687     0.26  
    56       4     0.3313     0.4154     0.26  
    57       5     0.3396     0.9236     0.263 
    58       5     0.0764     0.416      0.263 
    59       7     0.2005     0.7973     0.204 
    60       7     0.2027     0.4032     0.204 
    61       8     0.1275     0.5707     0.246 
    62       8     0.4293     0.5568     0.246 
    63       9     0.3605     0.0313     0.038 
    64       9     0.9687     0.3292     0.038 
    65      10     0.9813     0.6456     0.059 
    66      10     0.3544     0.3357     0.059 
    67      12     0.058      0.94       0.91  
    68      12     0.06       0.118      0.91  
    69      13     0.309      0.701      0.702 
    70      13     0.299      0.608      0.702 
    71      14     0.38       0.73       0.68  
    72      14     0.27       0.65       0.68  


X-ray density (g/cm cub.)   =      2.26

MU (1/cm) =      97.202    Mass attenuation coefficient (cm**2/g) =     43.096

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

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

    1    Na                  2.976       12
                                                 2.954        7
                                                 2.3679       8
                                                 2.3598      13
                                                 2.4923      14
                                                 2.954        7
                                                 2.954        7
                                                 2.3679       8
                                                 2.3679       8
                                                 2.3598      13
                                                 2.3598      13
                                                 2.4923      14
                                                 2.4923      14
    2   Na   ,Na             2.976        6
                                                 2.3981       9
                                                 2.3961      10
                                                 2.3935       7
                                                 2.8228       9
                                                 2.8089      10
                                                 2.2791      12
    3   K    ,K              3.396       11
                                                 2.9513       7
                                                 3.0498       9
                                                 3.0588      10
                                                 2.7693      11
                                                 1.3134      12
                                                 3.3715      12
                                                 2.8386      11
                                                 2.8105       9
                                                 2.7851      10
                                                 2.9647      12
                                                 2.9328      12
    4    Si                  2.268        4
                                                 1.606        7
                                                 1.6125       8
                                                 1.6004      10
                                                 1.6206       9
    5    Al                  2.484        4
                                                 1.7377       7
                                                 1.7378       9
                                                 1.7552       8
                                                 1.7389      10
    6   S    ,S              2.148        5
                                                 1.1757      11
                                                 1.42        12
                                                 1.4199      12
                                                 1.42        12
                                                 1.4603      11
    7    O                   3.432        6
                                                 2.5816       8
                                                 2.8          9
                                                 2.6109      10
                                                 2.7717       8
                                                 2.6323       9
                                                 2.8278      10
    8    O                   3.432       10
                                                 2.5816       7
                                                 2.688       10
                                                 3.1796      13
                                                 2.7717       7
                                                 2.9415       9
                                                 3.1308      13
                                                 2.7849      14
                                                 3.3801      14
                                                 2.9167      10
                                                 2.671        9
    9    O                   3.432        7
                                                 2.8          7
                                                 2.9415       8
                                                 3.2928      14
                                                 2.6325       7
                                                 2.671        8
                                                 2.8024      10
                                                 2.5857      10
   10    O                   3.432        6
                                                 2.6109       7
                                                 2.688        8
                                                 2.9167       8
                                                 2.8276       7
                                                 2.5858       9
                                                 2.8024       9
   11   O    ,O              3.432        8
                                                 1.4566      12
                                                 1.4565      12
                                                 1.4566      12
                                                 2.636       11
                                                 2.636       11
                                                 2.3948      12
                                                 2.3947      12
                                                 2.3948      12
   12   O    ,O              3.432        8
                                                 1.4566      11
                                                 2.2725      12
                                                 2.2725      12
                                                 2.3948      11
                                                 2.9445      12
                                                 2.9445      12
                                                 2.9445      12
                                                 2.9445      12
   13   H(2)O,H(2)O          3.6         13
                                                 3.4922       7
                                                 3.4763       7
                                                 3.5434       8
                                                 3.1796       8
                                                 0.8023      14
                                                 3.4997       8
                                                 3.1308       8
                                                 1.1354      13
                                                 1.1354      13
                                                 0.6043      14
                                                 1.3856      14
                                                 3.4967       9
                                                 3.522       10
   14   H(2)O,H(2)O          3.6         10
                                                 0.8023      13
                                                 3.5154       7
                                                 3.4624       8
                                                 3.3801       8
                                                 2.7849       8
                                                 1.3856      13
                                                 0.6043      13
                                                 1.2646      14
                                                 1.2646      14
                                                 3.2928       9

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

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

    1   1   0   0  3.972   7.945   0.045  413.74    6        9.9       42.8
    2   1   1   0  6.892  13.783   0.078  135.95    6       58.0      484.7
    3   2   0   0  7.964  15.928   0.09   101.24    6        9.0        8.8
    4   1   0   1  9.306  18.611   0.105   73.56   12       67.3      705.5
    5   1   2   0 10.561  21.123   0.119   56.63    6        5.5        1.8
    6   2   1   0 10.561  21.123   0.119   56.63    6       29.4       51.9
    7   1   1   1 10.898  21.796   0.123   53.05   12        9.7       10.6
    8   2   0   1 11.616  23.233   0.131   46.44   12        6.5        4.1
    9   3   0   0 11.995  23.99    0.135   43.42    6       85.1      332.8
   10   1   2   1 13.556  27.112   0.152   33.56   12       83.0      489.3
   11   2   1   1 13.556  27.112   0.152   33.56   12       80.0      455.4
   12   2   2   0 13.885  27.771   0.156   31.89    6       12.5        5.3
   13   1   3   0 14.465  28.929   0.162   29.23    6       26.1       21.0
   14   3   1   0 14.465  28.929   0.162   29.23    6       24.5       18.5
   15   3   0   1 14.717  29.434   0.165   28.17   12       38.6       88.9
   16   4   0   0 16.088  32.175   0.18    23.26    6      119.8      353.5
   17   2   2   1 16.318  32.635   0.182   22.56   12        3.8        0.7
   18   1   3   1 16.821  33.641   0.188   21.12   12       63.2      178.8
   19   3   1   1 16.821  33.641   0.188   21.12   12       52.1      121.3
   20   0   0   2 16.991  33.981   0.19    20.67    2      180.3      237.1
   21   1   0   2 17.477  34.953   0.195   19.43   12       39.6       64.7
   22   2   3   0 17.576  35.152   0.196   19.19    6       31.6       20.3
   23   3   2   0 17.576  35.152   0.196   19.19    6       24.2       11.9
   24   4   0   1 18.256  36.512   0.203   17.66   12       61.1      139.6
   25   1   1   2 18.415  36.829   0.205   17.33   12       15.2        8.5
   26   1   4   0 18.51   37.019   0.206   17.13    6       21.6        8.4
   27   4   1   0 18.51   37.019   0.206   17.13    6       12.8        3.0
   28   2   0   2 18.869  37.737   0.21    16.42   12       14.8        7.7
   29   2   3   1 19.601  39.201   0.218   15.1    12       32.4       33.6
   30   3   2   1 19.601  39.201   0.218   15.1    12       35.3       39.8
   31   1   2   2 20.178  40.356   0.224   14.15   12        7.1        1.5
   32   2   1   2 20.178  40.356   0.224   14.15   12       11.3        3.8
   33   5   0   0 20.266  40.533   0.225   14.02    6        0.9        0.0
   34   1   4   1 20.455  40.91    0.227   13.73   12       22.4       14.6
   35   4   1   1 20.455  40.91    0.227   13.73   12       19.1       10.7
   36   3   0   2 21.013  42.027   0.233   12.93   12       63.8      111.6
   37   3   3   0 21.098  42.197   0.234   12.81    6      103.0      144.0
   38   2   4   0 21.505  43.009   0.238   12.28    6        7.9        0.8
   39   4   2   0 21.505  43.009   0.238   12.28    6        1.2        0.0
   40   5   0   1 22.082  44.164   0.244   11.57   12       21.8       11.7
   41   2   2   2 22.218  44.436   0.245   11.41   12       16.9        6.9
   42   1   3   2 22.608  45.216   0.25    10.97   12       10.0        2.3
   43   3   1   2 22.608  45.216   0.25    10.97   12       11.9        3.3
   44   1   5   0 22.688  45.376   0.25    10.88    6       15.9        2.9
   45   5   1   0 22.688  45.376   0.25    10.88    6       20.0        4.6
   46   3   3   1 22.861  45.722   0.252   10.7    12        3.4        0.3
   47   2   4   1 23.242  46.485   0.256   10.3    12        5.1        0.6
   48   4   2   1 23.242  46.485   0.256   10.3    12        7.8        1.3
   49   4   0   2 23.748  47.496   0.261    9.81   12       68.6       97.8
   50   1   5   1 24.36   48.719   0.268    9.26   12       30.6       18.3
   51   5   1   1 24.36   48.719   0.268    9.26   12       26.2       13.4
   52   6   0   0 24.561  49.122   0.27     9.09    6        1.5        0.0
   53   2   3   2 24.848  49.696   0.273    8.85   12       28.5       15.2
   54   3   2   2 24.848  49.696   0.273    8.85   12       34.4       22.1
   55   3   4   0 24.923  49.845   0.274    8.79    6        8.2        0.6
   56   4   3   0 24.923  49.845   0.274    8.79    6       21.0        4.1
   57   1   4   2 25.561  51.123   0.28     8.3    12       46.7       38.3
   58   4   1   2 25.561  51.123   0.28     8.3    12       40.1       28.3
   59   2   5   0 25.635  51.269   0.281    8.25    6       57.1       28.4
   60   5   2   0 25.635  51.269   0.281    8.25    6       39.3       13.5
   61   6   0   1 26.142  52.283   0.286    7.89   12       22.4        8.4
   62   1   0   3 26.344  52.689   0.288    7.75   12       35.8       21.0
   63   3   4   1 26.488  52.975   0.29     7.65   12       33.5       18.2
   64   4   3   1 26.488  52.975   0.29     7.65   12       42.8       29.8
   65   5   0   2 26.948  53.896   0.294    7.36   12       21.5        7.2
   66   1   6   0 27.018  54.037   0.295    7.32    6       14.2        1.6
   67   6   1   0 27.018  54.037   0.295    7.32    6        9.9        0.8
   68   1   1   3 27.03   54.059   0.295    7.31   12        7.8        0.9
   69   2   5   1 27.17   54.341   0.296    7.22   12       32.5       16.2
   70   5   2   1 27.17   54.341   0.296    7.22   12       26.6       10.8
   71   2   0   3 27.368  54.736   0.298    7.1    12       37.7       21.4
   72   3   3   2 27.623  55.246   0.301    6.96   12       31.8       14.9
   73   2   4   2 27.956  55.912   0.304    6.77   12       14.9        3.2
   74   4   2   2 27.956  55.912   0.304    6.77   12       20.2        5.8
   75   1   2   3 28.366  56.732   0.308    6.55   12       60.8       51.4
   76   2   1   3 28.366  56.732   0.308    6.55   12       62.2       53.7
   77   1   6   1 28.502  57.005   0.31     6.48   12       40.9       22.9
   78   6   1   1 28.502  57.005   0.31     6.48   12       43.9       26.4
   79   4   4   0 28.683  57.366   0.312    6.39    6      110.1       82.1
   80   1   5   2 28.941  57.882   0.314    6.26   12       21.0        5.8
   81   5   1   2 28.941  57.882   0.314    6.26   12        7.7        0.8
   82   3   5   0 29.008  58.017   0.315    6.23    6       13.1        1.1
   83   5   3   0 29.008  58.017   0.315    6.23    6       26.4        4.6
   84   7   0   0 29.008  58.017   0.315    6.23    6       24.1        3.8
   85   3   0   3 29.019  58.038   0.315    6.22   12       13.8        2.5
   86   2   6   0 29.971  59.942   0.324    5.79    6       20.0        2.5
   87   6   2   0 29.971  59.942   0.324    5.79    6       15.0        1.4
   88   2   2   3 29.981  59.963   0.324    5.78   12       10.5        1.4
   89   4   4   1 30.113  60.226   0.326    5.73   12        6.5        0.5
   90   1   3   3 30.298  60.596   0.327    5.65   12       35.8       15.3
   91   3   1   3 30.298  60.596   0.327    5.65   12       24.8        7.4
   92   3   5   1 30.429  60.858   0.329    5.59   12       32.8       12.8
   93   5   3   1 30.429  60.858   0.329    5.59   12       46.8       25.9
   94   7   0   1 30.429  60.858   0.329    5.59   12       53.5       34.0
   95   6   0   2 30.537  61.074   0.33     5.55   12       66.4       51.9
   96   3   4   2 30.85   61.701   0.333    5.43   12       14.6        2.4
   97   4   3   2 30.85   61.701   0.333    5.43   12        9.4        1.0
   98   4   0   3 31.236  62.473   0.337    5.28   12       66.0       48.7
   99   2   6   1 31.365  62.73    0.338    5.23   12       31.1       10.7
  100   6   2   1 31.365  62.73    0.338    5.23   12       30.2       10.1
  101   2   5   2 31.471  62.943   0.339    5.19   12       28.2        8.8
  102   5   2   2 31.471  62.943   0.339    5.19   12       15.3        2.6
  103   1   7   0 31.536  63.071   0.34     5.17    6       43.3       10.3
  104   7   1   0 31.536  63.071   0.34     5.17    6       24.6        3.3
  105   2   3   3 32.159  64.318   0.346    4.95   12       31.2       10.2
  106   3   2   3 32.159  64.318   0.346    4.95   12       33.4       11.7
  107   1   6   2 32.694  65.387   0.351    4.78   12       11.6        1.4
  108   6   1   2 32.694  65.387   0.351    4.78   12        9.9        1.0
  109   4   5   0 32.756  65.513   0.351    4.76    6       13.5        0.9
  110   5   4   0 32.756  65.513   0.351    4.76    6        8.4        0.4
  111   1   4   3 32.766  65.533   0.351    4.76   12       12.8        1.6
  112   4   1   3 32.766  65.533   0.351    4.76   12       19.6        3.9
  113   1   7   1 32.892  65.783   0.353    4.72   12        4.3        0.2
  114   7   1   1 32.892  65.783   0.353    4.72   12        5.9        0.3
  115   3   6   0 33.358  66.716   0.357    4.58    6       28.9        4.0
  116   6   3   0 33.358  66.716   0.357    4.58    6       21.4        2.2
  117   8   0   0 33.657  67.313   0.36     4.49    6       45.2        9.7
  118   5   0   3 33.964  67.927   0.363    4.41   12       14.6        2.0
  119   4   5   1 34.087  68.174   0.364    4.38   12       18.9        3.3
  120   5   4   1 34.087  68.174   0.364    4.38   12       25.4        6.0
  121   4   4   2 34.189  68.377   0.365    4.35   12      103.7       99.0
  122   3   5   2 34.484  68.968   0.368    4.27   12       14.4        1.9
  123   5   3   2 34.484  68.968   0.368    4.27   12       33.0        9.9
  124   7   0   2 34.484  68.968   0.368    4.27   12       13.0        1.5
  125   2   7   0 34.545  69.09    0.368    4.26    6       10.9        0.5
  126   7   2   0 34.545  69.09    0.368    4.26    6       25.1        2.8
  127   3   3   3 34.555  69.109   0.368    4.25   12        4.1        0.1
  128   3   6   1 34.677  69.354   0.369    4.22   12        7.7        0.5
  129   6   3   1 34.677  69.354   0.369    4.22   12        4.3        0.2
  130   2   4   3 34.848  69.697   0.371    4.18   12       23.3        4.8
  131   4   2   3 34.848  69.697   0.371    4.18   12       14.2        1.8
  132   8   0   1 34.97   69.94    0.372    4.15   12       99.3       86.7
  133   2   6   2 35.363  70.725   0.376    4.06   12       11.6        1.2
  134   6   2   2 35.363  70.725   0.376    4.06   12       15.4        2.0
  135   1   5   3 35.723  71.446   0.379    3.98   12       30.2        7.7
  136   5   1   3 35.723  71.446   0.379    3.98   12       28.2        6.7
  137   0   0   4 35.763  71.526   0.379    3.97    2      133.9       25.1
  138   2   7   1 35.844  71.687   0.38     3.95   12       11.1        1.0
  139   7   2   1 35.844  71.687   0.38     3.95   12       19.2        3.1
  140   1   0   4 36.052  72.104   0.382    3.91   12       16.2        2.2
  141   1   8   0 36.292  72.584   0.384    3.86    6        6.9        0.2
  142   8   1   0 36.292  72.584   0.384    3.86    6        5.0        0.1
  143   1   1   4 36.628  73.257   0.387    3.79   12       49.7       19.8
  144   1   7   2 36.807  73.614   0.389    3.76   12       44.6       15.8
  145   7   1   2 36.807  73.614   0.389    3.76   12       30.9        7.6
  146   5   5   0 36.867  73.733   0.389    3.75    6       16.9        1.1
  147   2   0   4 36.915  73.83    0.39     3.74   12       16.1        2.0
  148   4   6   0 37.153  74.305   0.392    3.69    6       11.9        0.6
  149   6   4   0 37.153  74.305   0.392    3.69    6       13.2        0.7
  150   6   0   3 37.162  74.324   0.392    3.69   12       18.3        2.6
  151   3   4   3 37.447  74.894   0.395    3.64   12       34.4        9.1
  152   4   3   3 37.447  74.894   0.395    3.64   12       43.6       14.6
  153   1   8   1 37.565  75.131   0.396    3.62   12       38.0       11.1
  154   8   1   1 37.565  75.131   0.396    3.62   12       20.7        3.3
  155   1   2   4 37.77   75.541   0.398    3.58   12        9.7        0.7
  156   2   1   4 37.77   75.541   0.398    3.58   12       20.7        3.2
  157   4   5   2 37.947  75.894   0.399    3.55   12       14.7        1.6
  158   5   4   2 37.947  75.894   0.399    3.55   12       23.2        4.1
  159   3   7   0 38.006  76.012   0.4      3.54    6       13.4        0.7
  160   7   3   0 38.006  76.012   0.4      3.54    6       26.1        2.5
  161   2   5   3 38.015  76.031   0.4      3.54   12        7.5        0.4
  162   5   2   3 38.015  76.031   0.4      3.54   12       17.5        2.3
  163   5   5   1 38.133  76.266   0.401    3.52   12        5.7        0.2
  164   3   0   4 38.337  76.674   0.403    3.49   12       28.2        5.9
  165   4   6   1 38.416  76.831   0.403    3.48   12       14.2        1.5
  166   6   4   1 38.416  76.831   0.403    3.48   12       11.3        0.9
  167   3   6   2 38.513  77.026   0.404    3.46   12       67.6       33.5
  168   6   3   2 38.513  77.026   0.404    3.46   12       61.1       27.4
  169   9   0   0 38.571  77.143   0.405    3.45    6       66.5       16.2
  170   8   0   2 38.795  77.589   0.407    3.42   12       42.9       13.3
  171   1   6   3 39.143  78.287   0.41     3.37   12       36.9        9.7
  172   6   1   3 39.143  78.287   0.41     3.37   12       45.8       15.0
  173   2   2   4 39.182  78.364   0.41     3.36   12       31.7        7.2
  174   3   7   1 39.26   78.52    0.411    3.35   12       48.0       16.3
  175   7   3   1 39.26   78.52    0.411    3.35   12       54.4       21.0
  176   2   8   0 39.415  78.83    0.412    3.33    6       22.3        1.8
  177   8   2   0 39.415  78.83    0.412    3.33    6       21.0        1.6
  178   1   3   4 39.462  78.925   0.413    3.32   12        4.3        0.1
  179   3   1   4 39.462  78.925   0.413    3.32   12        1.6        0.0
  180   2   7   2 39.637  79.274   0.414    3.3    12        6.3        0.3
  181   7   2   2 39.637  79.274   0.414    3.3    12       25.3        4.5
  182   9   0   1 39.82   79.64    0.416    3.28   12        6.9        0.3
  183   4   0   4 40.301  80.601   0.42     3.22   12       49.5       16.7
  184   4   4   3 40.541  81.082   0.422    3.19   12        1.7        0.0
  185   2   8   1 40.657  81.313   0.423    3.18   12        5.8        0.2
  186   8   2   1 40.657  81.313   0.423    3.18   12       21.1        3.0
  187   3   5   3 40.819  81.638   0.424    3.16   12       20.9        2.9
  188   5   3   3 40.819  81.638   0.424    3.16   12       27.4        5.0
  189   7   0   3 40.819  81.638   0.424    3.16   12       48.0       15.4
  190   2   3   4 41.135  82.27    0.427    3.12   12       39.6       10.4
  191   3   2   4 41.135  82.27    0.427    3.12   12       36.3        8.7
  192   1   8   2 41.308  82.615   0.428    3.11   12        8.8        0.5
  193   8   1   2 41.308  82.615   0.428    3.11   12       12.5        1.0
  194   1   9   0 41.365  82.731   0.429    3.1     6       18.7        1.1
  195   5   6   0 41.365  82.731   0.429    3.1     6       15.2        0.8
  196   6   5   0 41.365  82.731   0.429    3.1     6       26.4        2.3
  197   9   1   0 41.365  82.731   0.429    3.1     6       22.5        1.7
  198   2   6   3 41.651  83.303   0.431    3.07   12       33.4        7.2
  199   6   2   3 41.651  83.303   0.431    3.07   12       29.6        5.7
  200   1   4   4 41.689  83.378   0.432    3.07   12       13.7        1.2
  201   4   1   4 41.689  83.378   0.432    3.07   12       10.1        0.7
  202   5   5   2 41.862  83.723   0.433    3.05   12       15.4        1.5
  203   4   7   0 41.919  83.838   0.434    3.05    6       33.3        3.6
  204   7   4   0 41.919  83.838   0.434    3.05    6       25.2        2.0
  205   4   6   2 42.138  84.276   0.436    3.03   12       24.0        3.7
  206   6   4   2 42.138  84.276   0.436    3.03   12       23.5        3.5
  207   1   9   1 42.595  85.191   0.439    2.99   12       15.8        1.6
  208   5   6   1 42.595  85.191   0.439    2.99   12       20.1        2.6
  209   6   5   1 42.595  85.191   0.439    2.99   12       25.5        4.1
  210   9   1   1 42.595  85.191   0.439    2.99   12       22.5        3.2
  211   5   0   4 42.794  85.589   0.441    2.97   12       14.6        1.3
  212   3   7   2 42.966  85.932   0.442    2.96   12       13.1        1.1
  213   7   3   2 42.966  85.932   0.442    2.96   12       11.7        0.9
  214   3   8   0 43.023  86.047   0.443    2.95    6        3.2        0.0
  215   8   3   0 43.023  86.047   0.443    2.95    6        1.4        0.0
  216   1   7   3 43.032  86.065   0.443    2.95   12        3.7        0.1
  217   7   1   3 43.032  86.065   0.443    2.95   12        2.6        0.0
  218   4   7   1 43.147  86.294   0.444    2.94   12        4.7        0.1
  219   7   4   1 43.147  86.294   0.444    2.94   12        2.8        0.0
  220   3   3   4 43.345  86.691   0.446    2.93   12       20.3        2.6
  221   9   0   2 43.517  87.034   0.447    2.92   12       31.4        6.1
  222   2   4   4 43.621  87.242   0.448    2.91   12       21.6        2.9
  223   4   2   4 43.621  87.242   0.448    2.91   12       17.2        1.8
  224  10   0   0 43.849  87.699   0.45     2.89    6        9.7        0.3
  225   4   5   3 44.134  88.267   0.452    2.88   12        7.5        0.3
  226   5   4   3 44.134  88.267   0.452    2.88   12       10.4        0.7
  227   3   8   1 44.248  88.496   0.453    2.87   12       17.4        1.8
  228   8   3   1 44.248  88.496   0.453    2.87   12       27.4        4.6
  229   2   8   2 44.343  88.685   0.454    2.86   12       12.7        1.0
  230   8   2   2 44.343  88.685   0.454    2.86   12       15.9        1.5
  231   1   5   4 44.446  88.893   0.455    2.86   12       16.8        1.7
  232   5   1   4 44.446  88.893   0.455    2.86   12       24.4        3.6
  233   2   9   0 44.675  89.349   0.456    2.85    6       21.5        1.4
  234   9   2   0 44.675  89.349   0.456    2.85    6       21.7        1.4
  235   3   6   3 44.684  89.367   0.456    2.84   12        6.6        0.3
  236   6   3   3 44.684  89.367   0.456    2.84   12       11.0        0.7
  237   8   0   3 44.959  89.917   0.459    2.83   12       59.6       21.3


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

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

    1   1   0   0   3.972   7.945 11.1189        42.8      4.5      4.6     5.6
    2   1   1   0   6.892  13.783  6.4195       484.7     51.3     51.8     5.6
    3   1   0   1   9.306  18.611  4.76365      705.5     74.7     75.1     5.6
    4   2   1   0  10.561  21.123  4.20255       53.8      5.7      5.7     5.6
    5   1   1   1  10.898  21.796  4.07417       10.6      1.1      1.1     5.6
    6   3   0   0  11.995  23.99   3.7063       332.8     35.2     35.3     5.6
    7   1   2   1  13.556  27.112  3.28621      944.7    100.0    100.0     5.6
    8   1   3   0  14.465  28.929  3.08383       39.6      4.2      4.2     5.6
    9   3   0   1  14.717  29.434  3.03202       88.9      9.4      9.4     5.6
   10   4   0   0  16.088  32.175  2.77973      353.5     37.4     37.3     5.6
   11   1   3   1  16.821  33.641  2.66188      300.1     31.8     31.6     5.7
   12   0   0   2  16.991  33.981  2.636        237.1     25.1     25.0     5.7
   13   1   0   2  17.477  34.953  2.56491       64.7      6.8      6.8     5.7
   14   2   3   0  17.576  35.152  2.55085       32.2      3.4      3.4     5.7
   15   4   0   1  18.256  36.512  2.45887      139.6     14.8     14.7     5.7
   16   1   4   0  18.51   37.019  2.42634       11.4      1.2      1.2     5.7
   17   3   2   1  19.601  39.201  2.29619       73.4      7.8      7.7     5.7
   18   1   4   1  20.455  40.91   2.20412       25.3      2.7      2.6     5.7
   19   3   0   2  21.013  42.027  2.14811      111.6     11.8     11.7     5.7
   20   3   3   0  21.098  42.197  2.13983      144.0     15.2     15.0     5.7
   21   5   0   1  22.082  44.164  2.04896       11.7      1.2      1.2     5.7
   22   4   0   2  23.748  47.496  1.91273       97.8     10.4     10.2     5.7
   23   1   5   1  24.36   48.719  1.86752       31.8      3.4      3.3     5.7
   24   3   2   2  24.848  49.696  1.83309       37.3      4.0      3.9     5.7
   25   1   4   2  25.561  51.123  1.78521       66.6      7.0      6.9     5.8
   26   2   5   0  25.635  51.269  1.78045       41.9      4.4      4.3     5.8
   27   1   0   3  26.344  52.689  1.73579       21.0      2.2      2.2     5.8
   28   4   3   1  26.488  52.975  1.72707       47.9      5.1      4.9     5.8
   29   2   5   1  27.17   54.341  1.68685       27.0      2.9      2.8     5.8
   30   2   0   3  27.368  54.736  1.67561       21.4      2.3      2.2     5.8
   31   3   3   2  27.623  55.246  1.66135       14.9      1.6      1.5     5.8
   32   2   1   3  28.366  56.732  1.62129      105.1     11.1     10.8     5.8
   33   6   1   1  28.502  57.005  1.61418       49.4      5.2      5.1     5.8
   34   4   4   0  28.683  57.366  1.60488       82.1      8.7      8.4     5.8
   35   3   0   3  29.019  58.038  1.58788       12.1      1.3      1.2     5.8
   36   1   3   3  30.298  60.596  1.52683       22.7      2.4      2.3     5.8
   37   7   0   1  30.429  60.858  1.52088       72.7      7.7      7.4     5.8
   38   6   0   2  30.537  61.074  1.51601       51.9      5.5      5.3     5.8
   39   4   0   3  31.236  62.473  1.48539       48.7      5.2      5.0     5.8
   40   2   6   1  31.365  62.73   1.47992       20.8      2.2      2.1     5.9
   41   2   5   2  31.471  62.943  1.47542       11.3      1.2      1.2     5.9
   42   1   7   0  31.536  63.071  1.47273       13.6      1.4      1.4     5.9
   43   3   2   3  32.159  64.318  1.44716       21.9      2.3      2.2     5.9
   44   8   0   0  33.657  67.313  1.38986        9.7      1.0      1.0     5.9
   45   4   4   2  34.189  68.377  1.3708        99.0     10.5     10.0     5.9
   46   5   3   2  34.484  68.968  1.3605        13.3      1.4      1.3     5.9
   47   8   0   1  34.97   69.94   1.34394       86.7      9.2      8.7     5.9
   48   1   5   3  35.723  71.446  1.31927       14.4      1.5      1.4     5.9
   49   0   0   4  35.763  71.526  1.318         25.1      2.7      2.5     5.9
   50   1   1   4  36.628  73.257  1.29107       19.8      2.1      2.0     6.0
   51   1   7   2  36.807  73.614  1.28568       23.4      2.5      2.3     6.0
   52   4   3   3  37.447  74.894  1.26685       23.8      2.5      2.4     6.0
   53   1   8   1  37.565  75.131  1.26345       14.4      1.5      1.4     6.0
   54   3   6   2  38.513  77.026  1.23702       60.9      6.4      6.0     6.0
   55   9   0   0  38.571  77.143  1.23543       16.2      1.7      1.6     6.0
   56   8   0   2  38.795  77.589  1.22943       13.3      1.4      1.3     6.0
   57   6   1   3  39.143  78.287  1.22022       24.7      2.6      2.4     6.0
   58   7   3   1  39.26   78.52   1.21718       37.3      4.0      3.7     6.0
   59   4   0   4  40.301  80.601  1.19091       16.7      1.8      1.6     6.1
   60   7   0   3  40.819  81.638  1.17838       23.4      2.5      2.3     6.1
   61   2   3   4  41.135  82.27   1.17093       19.1      2.0      1.9     6.1
   62   2   6   3  41.651  83.303  1.15902       13.0      1.4      1.3     6.1
   63   9   1   1  42.595  85.191  1.13809       11.5      1.2      1.1     6.1
   64   8   0   3  44.959  89.917  1.09013       21.3      2.3      2.0     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)