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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MARIALITE

15, at 600'C, f-feldspathoid, scapolite

Na(4)Al(3)Si(9)O(24)Cl


Tetragonal  I 4/m  Z = 2

R =0.032          NR =506

19 .1 .1999

Ref.Str.:

         Kabalov Yu.K., Sokolova E.V., Kaligina N.V., Shnayder Yu. (1999)

         * Kristallogr., 44, 1049-1053

Reserv:

         from Pamire.  N.A.D.

                   Initial data from BDM-file 

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

             a =  12.1466   alpha =   90.0 
             b =  12.1466   beta  =   90.0 
             c =   7.5504   gamma =   90.0 

    Unit cell volume (cub. angs.) =  1113.99

    Molar volume ( cub.cm/mol.) =   335.5 

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

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

   1 0.3712  0.2973  0.5      7.2    Na    = 1.00
   2 0.3375  0.417   0.0      1.6    Si    = 1.00
   3 0.6615  0.9198  0.7942   1.82   Si    = 0.7 , Al    = 0.3 
   4 0.453   0.3553  0.0      3.2    O     = 1.00
   5 0.696   0.8911  0.0      3.2    O     = 1.00
   6 0.3503  0.9457  0.779    4.6    O     = 1.00
   7 0.2684  0.3797  0.825    3.6    O     = 1.00
   8 0.5     0.5     0.5      8.4    Cl    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3712     0.2973     0.5   
     2       2     0.3375     0.417      0.0   
     3       3     0.6615     0.9198     0.7942
     4       4     0.453      0.3553     0.0   
     5       5     0.696      0.8911     0.0   
     6       6     0.3503     0.9457     0.779 
     7       7     0.2684     0.3797     0.825 
     8       8     0.5        0.5        0.5   
     9       1     0.7027     0.3712     0.5   
    10       1     0.6288     0.7027     0.5   
    11       1     0.2973     0.6288     0.5   
    12       2     0.583      0.3375     0.0   
    13       2     0.6625     0.583      0.0   
    14       2     0.417      0.6625     0.0   
    15       3     0.0802     0.6615     0.7942
    16       3     0.3385     0.0802     0.7942
    17       3     0.9198     0.3385     0.7942
    18       4     0.6447     0.453      0.0   
    19       4     0.547      0.6447     0.0   
    20       4     0.3553     0.547      0.0   
    21       5     0.1089     0.696      0.0   
    22       5     0.304      0.1089     0.0   
    23       5     0.8911     0.304      0.0   
    24       6     0.0543     0.3503     0.779 
    25       6     0.6497     0.0543     0.779 
    26       6     0.9457     0.6497     0.779 
    27       7     0.6203     0.2684     0.825 
    28       7     0.7316     0.6203     0.825 
    29       7     0.3797     0.7316     0.825 
    30       1     0.1288     0.2027     0.0   
    31       2     0.1625     0.083      0.5   
    32       3     0.8385     0.5802     0.2942
    33       4     0.047      0.1447     0.5   
    34       5     0.804      0.6089     0.5   
    35       6     0.1497     0.5543     0.279 
    36       7     0.2316     0.1203     0.325 
    37       8     0.0        0.0        0.0   
    38       1     0.7973     0.1288     0.0   
    39       1     0.8712     0.7973     0.0   
    40       1     0.2027     0.8712     0.0   
    41       2     0.917      0.1625     0.5   
    42       2     0.8375     0.917      0.5   
    43       2     0.083      0.8375     0.5   
    44       3     0.4198     0.8385     0.2942
    45       3     0.1615     0.4198     0.2942
    46       3     0.5802     0.1615     0.2942
    47       4     0.8553     0.047      0.5   
    48       4     0.953      0.8553     0.5   
    49       4     0.1447     0.953      0.5   
    50       5     0.3911     0.804      0.5   
    51       5     0.196      0.3911     0.5   
    52       5     0.6089     0.196      0.5   
    53       6     0.4457     0.1497     0.279 
    54       6     0.8503     0.4457     0.279 
    55       6     0.5543     0.8503     0.279 
    56       7     0.8797     0.2316     0.325 
    57       7     0.7684     0.8797     0.325 
    58       7     0.1203     0.7684     0.325 
    59       3     0.6615     0.9198     0.2058
    60       6     0.3503     0.9457     0.221 
    61       7     0.2684     0.3797     0.175 
    62       3     0.0802     0.6615     0.2058
    63       3     0.3385     0.0802     0.2058
    64       3     0.9198     0.3385     0.2058
    65       6     0.0543     0.3503     0.221 
    66       6     0.6497     0.0543     0.221 
    67       6     0.9457     0.6497     0.221 
    68       7     0.6203     0.2684     0.175 
    69       7     0.7316     0.6203     0.175 
    70       7     0.3797     0.7316     0.175 
    71       3     0.8385     0.5802     0.7058
    72       6     0.1497     0.5543     0.721 
    73       7     0.2316     0.1203     0.675 
    74       3     0.4198     0.8385     0.7058
    75       3     0.1615     0.4198     0.7058
    76       3     0.5802     0.1615     0.7058
    77       6     0.4457     0.1497     0.721 
    78       6     0.8503     0.4457     0.721 
    79       6     0.5543     0.8503     0.721 
    80       7     0.8797     0.2316     0.675 
    81       7     0.7684     0.8797     0.675 
    82       7     0.1203     0.7684     0.675 


X-ray density (g/cm cub.)   =      2.52

MU (1/cm) =      90.685    Mass attenuation coefficient (cm**2/g) =     35.977

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

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

    1    Na                  3.348        9
                                                 2.9296       7
                                                 2.9171       8
                                                 3.0403       7
                                                 2.4139       5
                                                 3.1385       5
                                                 2.611        6
                                                 2.9296       7
                                                 3.0403       7
                                                 2.611        6
    2    Si                  2.64         4
                                                 1.5906       4
                                                 1.6296       7
                                                 1.5938       4
                                                 1.6296       7
    3   Si   ,Al             2.856        4
                                                 1.6467       5
                                                 1.644        6
                                                 1.6473       6
                                                 1.6533       7
    4    O                   3.804       10
                                                 2.6194       7
                                                 2.6135       4
                                                 3.696        4
                                                 2.6135       4
                                                 3.4976       5
                                                 2.6438       7
                                                 3.2684       6
                                                 2.6194       7
                                                 2.6438       7
                                                 3.2684       6
    5    O                   3.804        9
                                                 3.4976       4
                                                 2.6515       6
                                                 3.571        7
                                                 2.7651       6
                                                 2.6104       7
                                                 2.6515       6
                                                 3.571        7
                                                 2.7651       6
                                                 2.6104       7
    6    O                   3.804        9
                                                 2.6515       5
                                                 2.6479       7
                                                 3.2684       4
                                                 2.7651       5
                                                 3.3373       6
                                                 2.682        7
                                                 2.7703       6
                                                 2.7703       6
                                                 3.6138       7
    7    O                   3.804        9
                                                 2.6194       4
                                                 2.6438       4
                                                 3.571        5
                                                 2.6479       6
                                                 2.6104       5
                                                 2.6426       7
                                                 2.682        6
                                                 3.3779       7
                                                 3.6138       6
    8    Cl                  4.344       20
                                                 4.2032       4
                                                 4.2032       4
                                                 4.0088       7
                                                 4.2032       4
                                                 4.2032       4
                                                 4.2032       4
                                                 4.2032       4
                                                 4.2032       4
                                                 4.2032       4
                                                 4.0088       7
                                                 4.0088       7
                                                 4.0088       7
                                                 3.9223       5
                                                 3.9223       5
                                                 3.9223       5
                                                 3.9223       5
                                                 4.0088       7
                                                 4.0088       7
                                                 4.0088       7
                                                 4.0088       7

  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   1   0  5.145  10.291   0.058  245.69    4       36.6      105.9
    2   1   0   1  6.899  13.798   0.078  135.65    8       45.0      177.2
    3   2   0   0  7.286  14.573   0.082  121.38    4       18.0       12.6
    4   1   2   1 10.06   20.121   0.113   62.63    8       27.3       30.2
    5   2   1   1 10.06   20.121   0.113   62.63    8       12.4        6.2
    6   2   2   0 10.333  20.666   0.116   59.26    4       85.4      139.4
    7   1   3   0 11.568  23.137   0.13    46.85    4       74.3       83.3
    8   3   1   0 11.568  23.137   0.13    46.85    4      187.6      531.4
    9   0   0   2 11.773  23.546   0.132   45.16    2       18.2        2.4
   10   3   0   1 12.467  24.934   0.14    40.05    8       94.7      231.7
   11   1   1   2 12.878  25.756   0.145   37.4     8      203.1      994.5
   12   2   0   2 13.901  27.802   0.156   31.81    8        3.2        0.2
   13   2   3   1 14.5    28.999   0.163   29.08    8      187.6      659.7
   14   3   2   1 14.5    28.999   0.163   29.08    8       10.3        2.0
   15   4   0   0 14.694  29.389   0.165   28.26    4      183.0      305.2
   16   3   3   0 15.608  31.215   0.175   24.83    4       80.2       51.5
   17   2   2   2 15.763  31.527   0.176   24.31    8       41.1       26.4
   18   1   4   1 16.3    32.6     0.182   22.61    8      100.3      146.6
   19   4   1   1 16.3    32.6     0.182   22.61    8        3.4        0.2
   20   2   4   0 16.475  32.951   0.184   22.1     4       98.0       68.5
   21   4   2   0 16.475  32.951   0.184   22.1     4       14.7        1.5
   22   1   3   2 16.624  33.248   0.186   21.67    8       48.5       32.9
   23   3   1   2 16.624  33.248   0.186   21.67    8      143.1      286.2
   24   1   0   3 18.213  36.427   0.203   17.75    8       24.7        7.0
   25   1   5   0 18.866  37.732   0.21    16.43    4       26.6        3.7
   26   5   1   0 18.866  37.732   0.21    16.43    4       48.0       12.2
   27   4   0   2 18.998  37.996   0.211   16.18    8       24.2        6.1
   28   3   4   1 19.456  38.912   0.216   15.35    8       73.7       53.8
   29   4   3   1 19.456  38.912   0.216   15.35    8       65.2       42.0
   30   5   0   1 19.456  38.912   0.216   15.35    8       11.7        1.4
   31   1   2   3 19.713  39.426   0.219   14.91    8       22.7        4.9
   32   2   1   3 19.713  39.426   0.219   14.91    8        1.5        0.0
   33   3   3   2 19.735  39.469   0.219   14.87    8       40.9       16.0
   34   2   4   2 20.449  40.898   0.227   13.74    8       12.0        1.3
   35   4   2   2 20.449  40.898   0.227   13.74    8       63.5       35.7
   36   2   5   1 20.88   41.76    0.231   13.11    8       13.6        1.6
   37   5   2   1 20.88   41.76    0.231   13.11    8       29.4        7.3
   38   4   4   0 21.022  42.045   0.233   12.92    4       35.5        5.3
   39   3   0   3 21.123  42.245   0.234   12.78    8       82.1       55.6
   40   3   5   0 21.702  43.403   0.24    12.03    4       67.6       17.7
   41   5   3   0 21.702  43.403   0.24    12.03    4        2.1        0.0
   42   6   0   0 22.364  44.728   0.247   11.24    4        5.4        0.1
   43   2   3   3 22.46   44.919   0.248   11.13    8       26.0        4.8
   44   3   2   3 22.46   44.919   0.248   11.13    8       78.5       44.2
   45   1   5   2 22.479  44.958   0.248   11.11    8       30.6        6.7
   46   5   1   2 22.479  44.958   0.248   11.11    8       22.6        3.7
   47   1   6   1 23.516  47.032   0.259   10.03    8       14.7        1.4
   48   6   1   1 23.516  47.032   0.259   10.03    8       98.7       63.0
   49   2   6   0 23.645  47.291   0.26     9.91    4      117.7       44.2
   50   6   2   0 23.645  47.291   0.26     9.91    4      167.9       90.1
   51   1   4   3 23.737  47.474   0.261    9.82    8      129.9      106.9
   52   4   1   3 23.737  47.474   0.261    9.82    8       59.5       22.4
   53   0   0   4 24.084  48.168   0.265    9.5     2      248.5       94.6
   54   4   4   2 24.374  48.749   0.268    9.25    8       11.7        0.8
   55   1   1   4 24.697  49.393   0.271    8.98    8        8.5        0.4
   56   4   5   1 24.751  49.502   0.272    8.93    8       29.1        4.9
   57   5   4   1 24.751  49.502   0.272    8.93    8        9.8        0.6
   58   3   5   2 24.982  49.963   0.274    8.74    8       84.6       40.4
   59   5   3   2 24.982  49.963   0.274    8.74    8       60.2       20.4
   60   2   0   4 25.298  50.596   0.277    8.5     8       16.6        1.5
   61   6   0   2 25.578  51.157   0.28     8.29    8       28.5        4.4
   62   3   6   1 25.942  51.884   0.284    8.02    8       81.7       34.5
   63   6   3   1 25.942  51.884   0.284    8.02    8       46.0       10.9
   64   3   4   3 26.148  52.296   0.286    7.88    8       28.2        4.1
   65   4   3   3 26.148  52.296   0.286    7.88    8       13.2        0.9
   66   5   0   3 26.148  52.296   0.286    7.88    8       51.6       13.5
   67   2   2   4 26.472  52.943   0.289    7.66    8       31.5        4.9
   68   1   7   0 26.642  53.284   0.291    7.55    4       89.1       19.3
   69   5   5   0 26.642  53.284   0.291    7.55    4        6.7        0.1
   70   7   1   0 26.642  53.284   0.291    7.55    4      101.2       24.9
   71   2   6   2 26.743  53.486   0.292    7.49    8       42.6        8.8
   72   6   2   2 26.743  53.486   0.292    7.49    8       13.7        0.9
   73   1   3   4 27.045  54.089   0.295    7.3     8        5.8        0.2
   74   3   1   4 27.045  54.089   0.295    7.3     8       26.8        3.4
   75   7   0   1 27.096  54.192   0.296    7.27    8       11.6        0.6
   76   4   6   0 27.213  54.425   0.297    7.2     4       60.2        8.4
   77   6   4   0 27.213  54.425   0.297    7.2     4       31.9        2.4
   78   2   5   3 27.295  54.591   0.298    7.15    8       64.5       19.2
   79   5   2   3 27.295  54.591   0.298    7.15    8       24.9        2.9
   80   2   7   1 28.217  56.433   0.307    6.63    8       71.9       22.1
   81   7   2   1 28.217  56.433   0.307    6.63    8       18.9        1.5
   82   4   0   4 28.717  57.434   0.312    6.37    8       78.9       25.6
   83   3   7   0 28.879  57.757   0.313    6.29    4       12.6        0.3
   84   7   3   0 28.879  57.757   0.313    6.29    4       67.7        9.3
   85   3   3   4 29.261  58.522   0.317    6.11    8       15.7        1.0
   86   1   6   3 29.499  58.998   0.32     6.0     8       79.3       24.3
   87   6   1   3 29.499  58.998   0.32     6.0     8       74.4       21.4
   88   1   7   2 29.515  59.03    0.32     5.99    8       29.1        3.3
   89   5   5   2 29.515  59.03    0.32     5.99    8       20.5        1.6
   90   7   1   2 29.515  59.03    0.32     5.99    8       48.9        9.2
   91   2   4   4 29.798  59.596   0.323    5.86    8       11.6        0.5
   92   4   2   4 29.798  59.596   0.323    5.86    8       20.3        1.6
   93   4   6   2 30.05   60.099   0.325    5.75    8        0.8        0.0
   94   6   4   2 30.05   60.099   0.325    5.75    8       35.9        4.8
   95   5   6   1 30.377  60.754   0.328    5.61    8       38.9        5.5
   96   6   5   1 30.377  60.754   0.328    5.61    8       22.1        1.8
   97   8   0   0 30.486  60.971   0.329    5.57    4       41.7        3.1
   98   4   5   3 30.563  61.125   0.33     5.54    8        8.2        0.2
   99   5   4   3 30.563  61.125   0.33     5.54    8      108.6       42.1
  100   1   0   5 30.932  61.864   0.334    5.39    8       19.7        1.4
  101   1   5   4 31.376  62.753   0.338    5.23    8       28.4        2.7
  102   5   1   4 31.376  62.753   0.338    5.23    8       40.8        5.6
  103   1   8   1 31.423  62.846   0.338    5.21    8        2.7        0.0
  104   4   7   1 31.423  62.846   0.338    5.21    8       38.7        5.0
  105   7   4   1 31.423  62.846   0.338    5.21    8       31.7        3.4
  106   8   1   1 31.423  62.846   0.338    5.21    8       18.8        1.2
  107   2   8   0 31.529  63.059   0.339    5.17    4       37.2        2.3
  108   8   2   0 31.529  63.059   0.339    5.17    4       33.6        1.9
  109   3   6   3 31.605  63.21    0.34     5.14    8       21.1        1.5
  110   6   3   3 31.605  63.21    0.34     5.14    8       41.3        5.6
  111   3   7   2 31.62   63.241   0.34     5.14    8      104.8       36.4
  112   7   3   2 31.62   63.241   0.34     5.14    8       88.8       26.1
  113   1   2   5 31.967  63.935   0.344    5.02    8       75.9       18.6
  114   2   1   5 31.967  63.935   0.344    5.02    8        3.1        0.0
  115   6   6   0 32.554  65.108   0.349    4.82    4      156.9       38.3
  116   7   0   3 32.628  65.257   0.35     4.8     8       84.8       22.3
  117   4   4   4 32.911  65.822   0.353    4.71    8       21.4        1.4
  118   3   0   5 32.985  65.969   0.353    4.69    8      105.1       33.4
  119   5   7   0 33.06   66.12    0.354    4.67    4       50.8        3.9
  120   7   5   0 33.06   66.12    0.354    4.67    4       54.9        4.5
  121   8   0   2 33.149  66.298   0.355    4.64    8       13.8        0.6
  122   3   5   4 33.414  66.828   0.357    4.56    8       19.3        1.1
  123   5   3   4 33.414  66.828   0.357    4.56    8       22.3        1.5
  124   3   8   1 33.459  66.918   0.358    4.55    8       36.3        3.9
  125   8   3   1 33.459  66.918   0.358    4.55    8        8.5        0.2
  126   2   7   3 33.635  67.27    0.36     4.5     8       88.3       22.6
  127   7   2   3 33.635  67.27    0.36     4.5     8       20.6        1.2
  128   6   0   4 33.914  67.827   0.362    4.42    8       20.8        1.2
  129   2   3   5 33.986  67.972   0.363    4.4     8      135.6       52.2
  130   3   2   5 33.986  67.972   0.363    4.4     8       12.4        0.4
  131   2   8   2 34.148  68.296   0.364    4.36    8      111.2       34.8
  132   8   2   2 34.148  68.296   0.364    4.36    8      119.7       40.3
  133   4   8   0 34.555  69.111   0.368    4.25    4       82.9        9.4
  134   8   4   0 34.555  69.111   0.368    4.25    4       82.3        9.3
  135   2   6   4 34.902  69.804   0.371    4.17    8       36.5        3.6
  136   6   2   4 34.902  69.804   0.371    4.17    8       94.5       24.0
  137   1   4   5 34.974  69.948   0.372    4.15    8       25.2        1.7
  138   4   1   5 34.974  69.948   0.372    4.15    8       18.5        0.9
  139   1   9   0 35.047  70.094   0.373    4.13    4      123.1       20.2
  140   9   1   0 35.047  70.094   0.373    4.13    4       24.5        0.8
  141   6   6   2 35.133  70.267   0.374    4.11    8       35.6        3.4
  142   9   0   1 35.435  70.871   0.376    4.04    8       52.4        7.1
  143   5   6   3 35.607  71.214   0.378    4.0     8       80.2       16.6
  144   6   5   3 35.607  71.214   0.378    4.0     8       40.0        4.1
  145   5   7   2 35.621  71.243   0.378    4.0     8       64.3       10.7
  146   7   5   2 35.621  71.243   0.378    4.0     8       44.3        5.1
  147   2   9   1 36.405  72.811   0.385    3.84    8       13.7        0.5
  148   6   7   1 36.405  72.811   0.385    3.84    8       30.7        2.3
  149   7   6   1 36.405  72.811   0.385    3.84    8       52.7        6.9
  150   9   2   1 36.405  72.811   0.385    3.84    8       56.6        7.9
  151   1   8   3 36.575  73.15    0.387    3.8     8       26.8        1.8
  152   4   7   3 36.575  73.15    0.387    3.8     8       43.0        4.5
  153   7   4   3 36.575  73.15    0.387    3.8     8       12.3        0.4
  154   8   1   3 36.575  73.15    0.387    3.8     8       40.9        4.1
  155   3   4   5 36.914  73.827   0.39     3.74    8       37.1        3.3
  156   4   3   5 36.914  73.827   0.39     3.74    8       83.4       16.8
  157   5   0   5 36.914  73.827   0.39     3.74    8       45.7        5.0
  158   3   9   0 36.985  73.971   0.391    3.72    4        2.6        0.0
  159   9   3   0 36.985  73.971   0.391    3.72    4       32.4        1.3
  160   4   8   2 37.07   74.139   0.391    3.71    8        4.6        0.1
  161   8   4   2 37.07   74.139   0.391    3.71    8        9.7        0.2
  162   1   7   4 37.322  74.645   0.394    3.66    8       52.5        6.5
  163   5   5   4 37.322  74.645   0.394    3.66    8        9.5        0.2
  164   7   1   4 37.322  74.645   0.394    3.66    8       34.4        2.8
  165   5   8   1 37.365  74.731   0.394    3.65    8       13.1        0.4
  166   8   5   1 37.365  74.731   0.394    3.65    8       24.3        1.4
  167   1   9   2 37.548  75.095   0.396    3.62    8       78.0       14.2
  168   9   1   2 37.548  75.095   0.396    3.62    8       72.2       12.2
  169   0   0   6 37.742  75.485   0.397    3.59    2      119.4        8.2
  170   4   6   4 37.799  75.598   0.398    3.58    8       22.6        1.2
  171   6   4   4 37.799  75.598   0.398    3.58    8        1.1        0.0
  172   2   5   5 37.869  75.737   0.398    3.57    8       12.8        0.4
  173   5   2   5 37.869  75.737   0.398    3.57    8       11.6        0.3
  174   1   1   6 38.217  76.435   0.402    3.51    8       37.2        3.1
  175   3   8   3 38.483  76.966   0.404    3.47    8        0.2        0.0
  176   8   3   3 38.483  76.966   0.404    3.47    8       13.1        0.4
  177   2   0   6 38.69   77.381   0.406    3.44    8       14.1        0.4
  178   7   7   0 38.886  77.773   0.408    3.41    4       22.4        0.5
  179   3   7   4 39.218  78.436   0.41     3.36    8       41.1        3.7
  180   7   3   4 39.218  78.436   0.41     3.36    8       39.9        3.4
  181   4   9   1 39.26   78.521   0.411    3.35    8       10.4        0.2
  182   9   4   1 39.26   78.521   0.411    3.35    8       35.0        2.6
  183   6   8   0 39.357  78.714   0.412    3.34    4       30.5        1.0
  184   8   6   0 39.357  78.714   0.412    3.34    4       37.2        1.5
  185  10   0   0 39.357  78.714   0.412    3.34    4       37.9        1.5
  186   3   9   2 39.44   78.88    0.412    3.33    8       10.6        0.2
  187   9   3   2 39.44   78.88    0.412    3.33    8       43.2        4.0
  188   2   2   6 39.632  79.263   0.414    3.3     8       11.5        0.3
  189   1   6   5 39.756  79.512   0.415    3.29    8       46.4        4.6
  190   6   1   5 39.756  79.512   0.415    3.29    8       90.8       17.5
  191   1   3   6 40.1    80.2     0.418    3.24    8       59.3        7.3
  192   3   1   6 40.1    80.2     0.418    3.24    8       17.5        0.6
  193   1  10   1 40.198  80.396   0.419    3.23    8       27.7        1.6
  194  10   1   1 40.198  80.396   0.419    3.23    8       12.2        0.3
  195   2  10   0 40.294  80.588   0.42     3.22    4       36.7        1.4
  196  10   2   0 40.294  80.588   0.42     3.22    4       54.8        3.1
  197   9   0   3 40.362  80.725   0.42     3.21    8       44.7        4.1
  198   8   0   4 40.623  81.246   0.423    3.18    8       41.7        3.6
  199   4   5   5 40.691  81.382   0.423    3.17    8        5.4        0.1
  200   5   4   5 40.691  81.382   0.423    3.17    8       60.2        7.4
  201   5   9   0 40.761  81.521   0.424    3.16    4       91.4        8.5
  202   9   5   0 40.761  81.521   0.424    3.16    4       62.2        3.9
  203   2   9   3 41.294  82.588   0.428    3.11    8       19.4        0.8
  204   6   7   3 41.294  82.588   0.428    3.11    8       46.3        4.3
  205   7   6   3 41.294  82.588   0.428    3.11    8       36.8        2.7
  206   9   2   3 41.294  82.588   0.428    3.11    8       28.5        1.6
  207   7   7   2 41.308  82.616   0.428    3.11    8       84.6       14.3
  208   4   0   6 41.498  82.995   0.43     3.09    8       32.9        2.2
  209   2   8   4 41.553  83.106   0.431    3.08    8       26.4        1.4
  210   8   2   4 41.553  83.106   0.431    3.08    8        6.7        0.1
  211   3   6   5 41.621  83.242   0.431    3.07    8       70.1        9.7
  212   6   3   5 41.621  83.242   0.431    3.07    8       67.3        9.0
  213   6   8   2 41.772  83.544   0.432    3.06    8        9.8        0.2
  214   8   6   2 41.772  83.544   0.432    3.06    8       63.7        8.0
  215  10   0   2 41.772  83.544   0.432    3.06    8       34.7        2.4
  216   3   3   6 41.961  83.923   0.434    3.04    8        1.6        0.0
  217   3  10   1 42.058  84.117   0.435    3.03    8       23.8        1.1
  218  10   3   1 42.058  84.117   0.435    3.03    8        3.4        0.0
  219   5   8   3 42.222  84.443   0.436    3.02    8       51.7        5.2
  220   8   5   3 42.222  84.443   0.436    3.02    8       56.5        6.2
  221   2   4   6 42.424  84.849   0.438    3.0     8       12.6        0.3
  222   4   2   6 42.424  84.849   0.438    3.0     8       24.8        1.2
  223   6   6   4 42.48   84.96    0.438    3.0     8       82.1       13.0
  224   7   0   5 42.547  85.095   0.439    2.99    8       63.4        7.8
  225   2  10   2 42.698  85.396   0.44     2.98    8       21.7        0.9
  226  10   2   2 42.698  85.396   0.44     2.98    8        1.7        0.0
  227   5   7   4 42.942  85.884   0.442    2.96    8       14.9        0.4
  228   7   5   4 42.942  85.884   0.442    2.96    8       17.1        0.6
  229   7   8   1 42.984  85.967   0.443    2.96    8       23.1        1.0
  230   8   7   1 42.984  85.967   0.443    2.96    8        7.6        0.1
  231   4  10   0 43.079  86.158   0.443    2.95    4       35.3        1.2
  232  10   4   0 43.079  86.158   0.443    2.95    4        5.0        0.0
  233   5   9   2 43.16   86.32    0.444    2.94    8       52.5        5.2
  234   9   5   2 43.16   86.32    0.444    2.94    8       32.3        2.0
  235   2   7   5 43.471  86.943   0.447    2.92    8       39.0        2.9
  236   7   2   5 43.471  86.943   0.447    2.92    8        4.6        0.0
  237   1   5   6 43.81   87.62    0.449    2.9     8        8.2        0.1
  238   5   1   6 43.81   87.62    0.449    2.9     8       14.1        0.4
  239   6   9   1 43.907  87.813   0.45     2.89    8        0.1        0.0
  240   9   6   1 43.907  87.813   0.45     2.89    8       38.1        2.7
  241   4   9   3 44.069  88.138   0.451    2.88    8       16.5        0.5
  242   9   4   3 44.069  88.138   0.451    2.88    8        3.5        0.0
  243   4   8   4 44.326  88.653   0.454    2.86    8       43.0        3.4
  244   8   4   4 44.326  88.653   0.454    2.86    8       35.4        2.3
  245   1  11   0 44.463  88.925   0.455    2.86    4       27.0        0.7
  246  11   1   0 44.463  88.925   0.455    2.86    4        1.9        0.0
  247   1   9   4 44.787  89.575   0.457    2.84    8       39.3        2.8
  248   9   1   4 44.787  89.575   0.457    2.84    8       37.4        2.6
  249  11   0   1 44.829  89.657   0.458    2.84    8        1.6        0.0
  250   1  10   3 44.991  89.982   0.459    2.83    8        5.3        0.1
  251  10   1   3 44.991  89.982   0.459    2.83    8       83.8       12.8


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

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

    1   1   1   0   5.145  10.291  8.58894      105.9     10.6     10.8     5.6
    2   1   0   1   6.899  13.798  6.41249      177.2     17.8     18.0     5.6
    3   2   0   0   7.286  14.573  6.0733        12.6      1.3      1.3     5.6
    4   1   2   1  10.06   20.121  4.40951       36.4      3.7      3.7     5.6
    5   2   2   0  10.333  20.666  4.29447      139.4     14.0     14.1     5.6
    6   3   1   0  11.568  23.137  3.84109      614.8     61.8     61.9     5.6
    7   3   0   1  12.467  24.934  3.56821      231.7     23.3     23.3     5.6
    8   1   1   2  12.878  25.756  3.45608      994.5    100.0    100.0     5.6
    9   2   3   1  14.5    28.999  3.07652      661.6     66.5     66.4     5.6
   10   4   0   0  14.694  29.389  3.03665      305.2     30.7     30.6     5.6
   11   3   3   0  15.608  31.215  2.86298       51.5      5.2      5.2     5.6
   12   2   2   2  15.763  31.527  2.83538       26.4      2.7      2.6     5.6
   13   1   4   1  16.3    32.6    2.74448      146.8     14.8     14.7     5.6
   14   2   4   0  16.475  32.951  2.71606       70.0      7.0      7.0     5.6
   15   3   1   2  16.624  33.248  2.69246      319.1     32.1     31.9     5.6
   16   5   1   0  18.866  37.732  2.38214       15.9      1.6      1.6     5.7
   17   3   4   1  19.456  38.912  2.31257       97.1      9.8      9.7     5.7
   18   3   3   2  19.735  39.469  2.28119       21.0      2.1      2.1     5.7
   19   4   2   2  20.449  40.898  2.20475       37.0      3.7      3.7     5.7
   20   3   0   3  21.123  42.245  2.1375        55.6      5.6      5.5     5.7
   21   3   5   0  21.702  43.403  2.08312       17.8      1.8      1.8     5.7
   22   1   5   2  22.479  44.958  2.0146        59.4      6.0      5.9     5.7
   23   6   1   1  23.516  47.032  1.93051       64.4      6.5      6.4     5.7
   24   6   2   0  23.645  47.291  1.92055      134.3     13.5     13.2     5.7
   25   1   4   3  23.737  47.474  1.91357      129.3     13.0     12.7     5.7
   26   0   0   4  24.084  48.168  1.8876        94.6      9.5      9.3     5.7
   27   3   5   2  24.982  49.963  1.82389       60.8      6.1      6.0     5.7
   28   3   6   1  25.942  51.884  1.76078       45.5      4.6      4.5     5.8
   29   5   0   3  26.148  52.296  1.7479        18.4      1.9      1.8     5.8
   30   7   1   0  26.642  53.284  1.71779       44.4      4.5      4.3     5.8
   31   4   6   0  27.213  54.425  1.68443       10.8      1.1      1.1     5.8
   32   2   5   3  27.295  54.591  1.67972       22.0      2.2      2.2     5.8
   33   2   7   1  28.217  56.433  1.62916       23.6      2.4      2.3     5.8
   34   4   0   4  28.717  57.434  1.60312       25.6      2.6      2.5     5.8
   35   1   6   3  29.499  58.998  1.56431       59.8      6.0      5.8     5.8
   36   5   4   3  30.563  61.125  1.51487       42.1      4.2      4.1     5.8
   37   7   3   2  31.62   63.241  1.46919       69.7      7.0      6.7     5.9
   38   1   2   5  31.967  63.935  1.45491       18.7      1.9      1.8     5.9
   39   6   6   0  32.554  65.108  1.43149       38.3      3.8      3.7     5.9
   40   7   0   3  32.628  65.257  1.42859       22.3      2.2      2.1     5.9
   41   3   0   5  32.985  65.969  1.41488       33.4      3.4      3.2     5.9
   42   2   7   3  33.635  67.27   1.39064       23.8      2.4      2.3     5.9
   43   2   3   5  33.986  67.972  1.37798       52.7      5.3      5.0     5.9
   44   8   2   2  34.148  68.296  1.37224       75.1      7.5      7.2     5.9
   45   4   8   0  34.555  69.111  1.35803       18.7      1.9      1.8     5.9
   46   6   2   4  34.902  69.804  1.34623       27.6      2.8      2.6     5.9
   47   1   9   0  35.047  70.094  1.34137       21.0      2.1      2.0     5.9
   48   5   6   3  35.607  71.214  1.323         36.4      3.7      3.5     5.9
   49   9   2   1  36.405  72.811  1.29787       17.1      1.7      1.6     6.0
   50   8   1   3  36.575  73.15   1.29269       10.7      1.1      1.0     6.0
   51   5   0   5  36.914  73.827  1.2825        25.1      2.5      2.4     6.0
   52   1   9   2  37.548  75.095  1.26395       26.4      2.7      2.5     6.0
   53   6   1   5  39.756  79.512  1.20446       22.0      2.2      2.1     6.0
   54   5   9   0  40.761  81.521  1.17978       12.5      1.3      1.2     6.1
   55   7   7   2  41.308  82.616  1.16691       22.9      2.3      2.1     6.1
   56   3   6   5  41.621  83.242  1.15971       18.7      1.9      1.7     6.1
   57   8   6   2  41.772  83.544  1.15628       10.4      1.0      1.0     6.1
   58   8   5   3  42.222  84.443  1.14625       11.4      1.1      1.1     6.1
   59   6   6   4  42.48   84.96   1.1406        13.0      1.3      1.2     6.1
   60  10   1   3  44.991  89.982  1.08951       12.8      1.3      1.2     6.2

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