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

                            ***

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

7, td-osumilite, Zn-Mn-analogue, DN

K[K(0.58),Na(0.42)](2)Zn(3)Mn(1.5)[Si(12)O(30)]


Hexagonal  P 6cc  Z = 2

R =0.069          NR =598

22 .12 .1993

Ref.Str.:

         Nadezhina T.N., Sokolova Ye.V., Belakovsky D.I. (1990)

         * Dokl. Akad. Nauk SSSR, 313, 4, 865-868

Reserv:

         R = R(hkl).        D.T.N.

                   Initial data from BDM-file 

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

             a =  10.525    alpha =   90.0 
             b =  10.525    beta  =   90.0 
             c =  14.218    gamma =  120.0 

    Unit cell volume (cub. angs.) =  1364.0 

    Molar volume ( cub.cm/mol.) =   410.79

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

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

   1 0.0     0.0     0.25     1.3    K     = 1.00
   2 0.3333  0.6666  0.997    1.6    K     = 0.58, Na    = 0.42
   3 0.3333  0.6666  0.2536   1.2    Mn    = 0.75, Mn    = 0.0 
   4 0.5     0.0     0.25     0.7    Zn    = 1.00
   5 0.3366  0.2394  0.3915   0.3    Si    = 1.00
   6 0.3284  0.0963  0.1166   0.4    Si    = 1.00
   7 0.212   0.276   0.362    1.0    O     = 1.00
   8 0.343   0.483   0.168    0.6    O     = 1.00
   9 0.138   0.481   0.335    0.9    O     = 1.00
  10 0.2562  0.3659  0.001    1.0    O     = 1.00
  11 0.067   0.264   0.14     0.8    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.25  
     2       2     0.3333     0.6666     0.997 
     3       3     0.3333     0.6666     0.2536
     4       4     0.5        0.0        0.25  
     5       5     0.3366     0.2394     0.3915
     6       6     0.3284     0.0963     0.1166
     7       7     0.212      0.276      0.362 
     8       8     0.343      0.483      0.168 
     9       9     0.138      0.481      0.335 
    10      10     0.2562     0.3659     0.001 
    11      11     0.067      0.264      0.14  
    12       4     0.0        0.5        0.25  
    13       4     0.5        0.5        0.25  
    14       5     0.7606     0.0972     0.3915
    15       5     0.9028     0.6634     0.3915
    16       6     0.9037     0.2321     0.1166
    17       6     0.7679     0.6716     0.1166
    18       7     0.724      0.936      0.362 
    19       7     0.064      0.788      0.362 
    20       8     0.517      0.86       0.168 
    21       8     0.14       0.657      0.168 
    22       9     0.519      0.657      0.335 
    23       9     0.343      0.862      0.335 
    24      10     0.6341     0.8903     0.001 
    25      10     0.1097     0.7438     0.001 
    26      11     0.736      0.803      0.14  
    27      11     0.197      0.933      0.14  
    28       2     0.6667     0.3334     0.997 
    29       3     0.6667     0.3334     0.2536
    30       5     0.6634     0.7606     0.3915
    31       6     0.6716     0.9037     0.1166
    32       7     0.788      0.724      0.362 
    33       8     0.657      0.517      0.168 
    34       9     0.862      0.519      0.335 
    35      10     0.7438     0.6341     0.001 
    36      11     0.933      0.736      0.14  
    37       5     0.2394     0.9028     0.3915
    38       5     0.0972     0.3366     0.3915
    39       6     0.0963     0.7679     0.1166
    40       6     0.2321     0.3284     0.1166
    41       7     0.276      0.064      0.362 
    42       7     0.936      0.212      0.362 
    43       8     0.483      0.14       0.168 
    44       8     0.86       0.343      0.168 
    45       9     0.481      0.343      0.335 
    46       9     0.657      0.138      0.335 
    47      10     0.3659     0.1097     0.001 
    48      10     0.8903     0.2562     0.001 
    49      11     0.264      0.197      0.14  
    50      11     0.803      0.067      0.14  
    51       1     0.0        0.0        0.75  
    52       2     0.3333     0.6667     0.497 
    53       3     0.3333     0.6667     0.7536
    54       4     0.5        0.5        0.75  
    55       5     0.3366     0.0972     0.8915
    56       6     0.3284     0.2321     0.6166
    57       7     0.212      0.936      0.862 
    58       8     0.343      0.86       0.668 
    59       9     0.138      0.657      0.835 
    60      10     0.2562     0.8903     0.501 
    61      11     0.067      0.803      0.64  
    62       4     0.0        0.5        0.75  
    63       4     0.5        0.0        0.75  
    64       5     0.7606     0.6634     0.8915
    65       5     0.9028     0.2394     0.8915
    66       6     0.9037     0.6716     0.6166
    67       6     0.7679     0.0963     0.6166
    68       7     0.724      0.788      0.862 
    69       7     0.064      0.276      0.862 
    70       8     0.517      0.657      0.668 
    71       8     0.14       0.483      0.668 
    72       9     0.519      0.862      0.835 
    73       9     0.343      0.481      0.835 
    74      10     0.6341     0.7438     0.501 
    75      10     0.1097     0.3659     0.501 
    76      11     0.736      0.933      0.64  
    77      11     0.197      0.264      0.64  
    78       2     0.6667     0.3333     0.497 
    79       3     0.6667     0.3333     0.7536
    80       5     0.6634     0.9028     0.8915
    81       6     0.6716     0.7679     0.6166
    82       7     0.788      0.064      0.862 
    83       8     0.657      0.14       0.668 
    84       9     0.862      0.343      0.835 
    85      10     0.7438     0.1097     0.501 
    86      11     0.933      0.197      0.64  
    87       5     0.2394     0.3366     0.8915
    88       5     0.0972     0.7606     0.8915
    89       6     0.0963     0.3284     0.6166
    90       6     0.2321     0.9037     0.6166
    91       7     0.276      0.212      0.862 
    92       7     0.936      0.724      0.862 
    93       8     0.483      0.343      0.668 
    94       8     0.86       0.517      0.668 
    95       9     0.481      0.138      0.835 
    96       9     0.657      0.519      0.835 
    97      10     0.3659     0.2562     0.501 
    98      10     0.8903     0.6341     0.501 
    99      11     0.264      0.067      0.64  
   100      11     0.803      0.736      0.64  


X-ray density (g/cm cub.)   =      2.92

MU (1/cm) =     179.911    Mass attenuation coefficient (cm**2/g) =     61.631

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

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

    1    K                   3.228       12
                                                 3.0775       7
                                                 2.9503      11
                                                 3.0775       7
                                                 3.0776       7
                                                 2.9504      11
                                                 2.9504      11
                                                 3.0775       7
                                                 2.9503      11
                                                 3.0775       7
                                                 3.0776       7
                                                 2.9504      11
                                                 2.9504      11
    2   K    ,Na             3.228        9
                                                 3.1389       8
                                                 2.8478      10
                                                 3.1396       8
                                                 3.1392       8
                                                 2.8488      10
                                                 2.8484      10
                                                 3.055        9
                                                 3.0554       9
                                                 3.0546       9
    3   Mn   ,Mn             2.724        6
                                                 2.3287       8
                                                 2.3163       9
                                                 2.3296       8
                                                 2.3291       8
                                                 2.3168       9
                                                 2.3172       9
    4    Zn                  2.628        4
                                                 1.9561       8
                                                 1.9749       9
                                                 1.9561       8
                                                 1.9749       9
    5    Si                  2.1          4
                                                 1.5967       7
                                                 1.6772       7
                                                 1.577        9
                                                 1.5798      10
    6    Si                  2.1          4
                                                 1.6125      11
                                                 1.6263       8
                                                 1.6797      10
                                                 1.5531      11
    7    O                   3.264        6
                                                 2.6627       9
                                                 2.6334       7
                                                 2.6336       7
                                                 2.5814       9
                                                 2.6418      10
                                                 2.6288      10
    8    O                   3.264        6
                                                 3.2013       9
                                                 2.6202      10
                                                 2.6859      11
                                                 3.0051       9
                                                 3.1413       8
                                                 2.7217      11
    9    O                   3.264        6
                                                 2.6627       7
                                                 3.2013       8
                                                 3.0051       8
                                                 3.1241       9
                                                 2.5815       7
                                                 2.6011      10
   10    O                   3.264        6
                                                 2.6202       8
                                                 2.6241      11
                                                 2.6867      11
                                                 2.6417       7
                                                 2.6012       9
                                                 2.6289       7
   11    O                   3.264        6
                                                 2.6859       8
                                                 2.6241      10
                                                 2.7219       8
                                                 2.6868      10
                                                 2.5016      11
                                                 2.5018      11

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

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

    1   1   0   0  4.848   9.695   0.055  277.07    6       26.3       61.8
    2   0   0   2  6.22   12.441   0.07   167.39    2      191.8      662.0
    3   1   0   2  7.898  15.796   0.089  102.97   12       49.0      159.2
    4   1   1   0  8.417  16.833   0.095   90.41    6       94.4      259.8
    5   2   0   0  9.731  19.461   0.11    67.09    6       48.4       50.7
    6   1   1   2 10.493  20.986   0.118   57.4    12       31.4       36.6
    7   2   0   2 11.582  23.163   0.13    46.73   12      218.0     1432.6
    8   0   0   4 12.516  25.031   0.141   39.72    2      117.5       59.0
    9   2   1   0 12.92   25.84    0.145   37.15   12       50.7       61.6
   10   2   1   1 13.3    26.601   0.149   34.94   24      139.1      872.5
   11   1   0   4 13.45   26.9     0.151   34.12   12      132.9      388.6
   12   2   1   2 14.386  28.772   0.161   29.57   24       41.2       64.9
   13   3   0   0 14.686  29.372   0.165   28.3     6       96.5       84.9
   14   1   1   4 15.16   30.319   0.17    26.44   12      190.8      620.9
   15   2   0   4 15.951  31.903   0.178   23.69   12      222.4      755.8
   16   3   0   2 16.004  32.008   0.179   23.53   12       49.6       37.3
   17   2   1   3 16.046  32.093   0.179   23.39   24       73.4      162.8
   18   2   2   0 17.022  34.044   0.19    20.58    6      316.9      666.4
   19   3   1   0 17.74   35.48    0.198   18.81   12       42.7       22.2
   20   3   1   1 18.028  36.055   0.201   18.16   24       80.5      151.8
   21   2   1   4 18.142  36.284   0.202   17.91   24       42.0       40.7
   22   2   2   2 18.189  36.378   0.203   17.81   12      110.6      140.5
   23   3   1   2 18.868  37.736   0.21    16.42   24       18.6        7.3
   24   0   0   6 18.969  37.938   0.211   16.23    2       20.6        0.7
   25   3   0   4 19.483  38.965   0.216   15.3    12       70.1       48.4
   26   1   0   6 19.625  39.25    0.218   15.06   12        6.9        0.5
   27   4   0   0 19.757  39.514   0.219   14.83    6       83.9       33.7
   28   3   1   3 20.202  40.404   0.224   14.12   24       68.2       84.8
   29   2   1   5 20.563  41.126   0.228   13.57   24        9.9        1.7
   30   4   0   2 20.792  41.583   0.23    13.24   12      160.5      219.9
   31   1   1   6 20.885  41.77    0.231   13.11   12       13.7        1.6
   32   2   2   4 21.36   42.72    0.236   12.46   12      189.6      288.9
   33   2   0   6 21.492  42.984   0.238   12.29   12      129.9      133.8
   34   3   2   0 21.615  43.229   0.239   12.14   12       82.3       53.0
   35   3   2   1 21.859  43.718   0.242   11.83   24        6.7        0.7
   36   3   1   4 21.956  43.913   0.243   11.71   24      138.1      288.4
   37   3   2   2 22.58   45.159   0.249   11.0    24       19.2        5.2
   38   4   1   0 22.784  45.569   0.251   10.78   12      102.1       72.5
   39   4   1   1 23.019  46.038   0.254   10.53   24       52.8       37.9
   40   2   1   6 23.237  46.473   0.256   10.31   24       30.4       12.3
   41   4   0   4 23.674  47.348   0.261    9.88   12       76.3       37.1
   42   4   1   2 23.712  47.423   0.261    9.85   24       27.4        9.5
   43   3   2   3 23.742  47.484   0.261    9.82   24        5.1        0.3
   44   3   1   5 24.06   48.121   0.265    9.52   24      108.4      144.4
   45   3   0   6 24.345  48.69    0.268    9.27   12       29.8        5.3
   46   4   1   3 24.834  49.667   0.273    8.86   24       18.8        4.1
   47   5   0   0 24.995  49.99    0.274    8.73    6      192.0      103.8
   48   3   2   4 25.301  50.602   0.277    8.5    24       59.6       38.9
   49   0   0   8 25.684  51.368   0.281    8.21    2      448.7      177.7
   50   5   0   2 25.862  51.725   0.283    8.08   12       22.2        2.6
   51   2   2   6 25.941  51.882   0.284    8.03   12      203.7      214.7
   52   3   3   0 26.047  52.095   0.285    7.95    6      108.8       30.3
   53   2   1   7 26.119  52.238   0.286    7.9    24       52.4       28.0
   54   1   0   8 26.204  52.409   0.287    7.84   12       11.5        0.7
   55   4   1   4 26.345  52.69    0.288    7.75   24       50.8       25.8
   56   3   1   6 26.458  52.915   0.289    7.67   24       28.5        8.0
   57   4   2   0 26.562  53.125   0.29     7.6    12      103.2       52.2
   58   4   2   1 26.772  53.544   0.292    7.47   24       66.7       42.9
   59   3   3   2 26.89   53.781   0.294    7.39   12        3.5        0.1
   60   3   2   5 27.209  54.418   0.297    7.2    24       16.1        2.4
   61   1   1   8 27.223  54.447   0.297    7.19   12       41.7        8.1
   62   4   2   2 27.394  54.789   0.299    7.09   24       98.6       88.9
   63   2   0   8 27.723  55.446   0.302    6.9    12       21.0        2.0
   64   4   0   6 27.967  55.934   0.304    6.76   12      131.3       75.2
   65   5   1   0 28.068  56.136   0.305    6.71   12       40.8        7.2
   66   4   1   5 28.203  56.406   0.307    6.64   24        5.7        0.3
   67   5   1   1 28.27   56.54    0.307    6.6    24       99.6       84.5
   68   5   0   4 28.351  56.702   0.308    6.56   12       29.1        3.6
   69   4   2   3 28.411  56.822   0.309    6.53   24       22.7        4.3
   70   5   1   2 28.871  57.741   0.313    6.29   24       56.9       26.3
   71   3   1   7 29.109  58.218   0.316    6.18   24       14.1        1.6
   72   2   1   8 29.188  58.377   0.317    6.14   24       52.9       22.2
   73   3   3   4 29.319  58.639   0.318    6.08   12      157.8       97.6
   74   3   2   6 29.424  58.849   0.319    6.03   24       36.7       10.4
   75   4   2   4 29.796  59.592   0.323    5.86   24      106.1       85.1
   76   5   1   3 29.854  59.709   0.323    5.84   24       51.2       19.7
   77   3   0   8 30.14   60.28    0.326    5.71   12       93.7       32.4
   78   4   1   6 30.371  60.743   0.328    5.62   24       66.0       31.5
   79   6   0   0 30.467  60.934   0.329    5.58    6      150.1       40.5
   80   4   3   0 30.933  61.867   0.334    5.39   12       68.1       16.1
   81   4   3   1 31.124  62.247   0.336    5.32   24        8.1        0.4
   82   5   1   4 31.2    62.4     0.336    5.29   24       41.0       11.4
   83   6   0   2 31.231  62.463   0.337    5.28   12      171.8      100.6
   84   4   2   5 31.522  63.043   0.339    5.17   24       68.9       31.7
   85   2   2   8 31.535  63.069   0.339    5.17   12      270.5      243.9
   86   4   3   2 31.691  63.382   0.341    5.11   24        5.8        0.2
   87   5   2   0 31.854  63.707   0.343    5.06   12      207.1      139.8
   88   3   2   7 31.917  63.833   0.343    5.03   24       21.0        2.9
   89   3   1   8 31.992  63.984   0.344    5.01   24        4.1        0.1
   90   5   2   1 32.041  64.082   0.344    4.99   24       43.4       12.2
   91   5   0   6 32.216  64.431   0.346    4.93   12        3.6        0.0
   92   2   1   9 32.439  64.879   0.348    4.86   24       42.9       11.5
   93   5   2   2 32.599  65.198   0.35     4.81   24       50.3       15.7
   94   4   3   3 32.624  65.248   0.35     4.8    24       47.6       14.0
   95   0   0  10 32.804  65.608   0.352    4.74    2       56.9        1.6
   96   4   1   7 32.822  65.643   0.352    4.74   24       51.9       16.5
   97   5   1   5 32.883  65.766   0.352    4.72   24       68.1       28.2
   98   3   3   6 33.116  66.232   0.355    4.65   12       10.5        0.3
   99   1   0  10 33.252  66.503   0.356    4.61   12       30.0        2.7
  100   4   0   8 33.343  66.685   0.357    4.58   12       87.4       22.6
  101   6   0   4 33.464  66.928   0.358    4.55   12      205.1      123.4
  102   5   2   3 33.519  67.038   0.358    4.53   24       22.5        3.0
  103   4   2   6 33.562  67.123   0.359    4.52   24      110.6       71.3
  104   6   1   0 33.652  67.305   0.36     4.49   12       40.3        4.7
  105   6   1   1 33.834  67.669   0.361    4.44   24        4.5        0.1
  106   4   3   4 33.907  67.815   0.362    4.42   24       25.8        3.8
  107   1   1  10 34.138  68.276   0.364    4.36   12       45.0        5.7
  108   6   1   2 34.378  68.756   0.367    4.3    24       18.0        1.8
  109   2   0  10 34.577  69.154   0.368    4.25   12      146.6       58.9
  110   3   2   8 34.667  69.333   0.369    4.23   24       71.9       28.2
  111   5   2   4 34.786  69.572   0.37     4.2    24       61.8       20.7
  112   5   1   6 34.882  69.763   0.371    4.17   24       13.4        1.0
  113   3   1   9 35.097  70.194   0.373    4.12   24      172.8      158.8
  114   6   1   3 35.275  70.549   0.375    4.08   24       14.3        1.1
  115   4   3   5 35.524  71.048   0.377    4.02   24       23.3        2.8
  116   4   1   8 35.536  71.073   0.377    4.02   24       15.2        1.2
  117   4   4   0 35.837  71.675   0.38     3.95    6       41.0        2.1
  118   2   1  10 35.88   71.76    0.38     3.95   24       45.8       10.7
  119   4   2   7 35.897  71.794   0.381    3.94   24       27.8        3.9
  120   5   3   0 36.267  72.535   0.384    3.86   12       12.7        0.4
  121   7   0   0 36.267  72.535   0.384    3.86    6      170.6       36.3
  122   5   2   5 36.385  72.77    0.385    3.84   24       14.8        1.1
  123   5   3   1 36.443  72.887   0.386    3.83   24       82.0       33.2
  124   6   1   4 36.514  73.028   0.386    3.81   24       63.0       19.5
  125   4   4   2 36.543  73.086   0.387    3.81   12      120.9       35.9
  126   3   0  10 36.737  73.475   0.388    3.77   12       43.1        4.5
  127   5   3   2 36.97   73.94    0.39     3.73   24       15.6        1.2
  128   7   0   2 36.97   73.94    0.39     3.73   12        7.6        0.1
  129   6   0   6 37.034  74.069   0.391    3.71   12       68.4       11.2
  130   5   1   7 37.18   74.36    0.392    3.69   24       40.4        7.8
  131   5   0   8 37.25   74.5     0.393    3.67   12       83.9       16.7
  132   4   3   6 37.459  74.918   0.395    3.64   24       32.8        5.0
  133   6   2   0 37.546  75.091   0.396    3.62   12      157.9       58.2
  134   3   2   9 37.668  75.337   0.397    3.6    24       21.5        2.2
  135   6   2   1 37.72   75.439   0.397    3.59   24       89.6       37.2
  136   5   3   3 37.841  75.682   0.398    3.57   24       70.8       23.1
  137   2   2  10 38.01   76.02    0.4      3.54   12       47.1        5.1
  138   6   1   5 38.084  76.168   0.4      3.53   24        2.9        0.0
  139   3   3   8 38.096  76.192   0.4      3.53   12       33.1        2.5
  140   6   2   2 38.24   76.479   0.402    3.51   24      117.3       62.2
  141   5   2   6 38.303  76.607   0.402    3.49   24       36.8        6.1
  142   3   1  10 38.431  76.862   0.403    3.47   24       29.0        3.8
  143   4   1   9 38.511  77.022   0.404    3.46   24       18.5        1.5
  144   4   2   8 38.517  77.033   0.404    3.46   24       87.8       34.4
  145   4   4   4 38.631  77.262   0.405    3.44   12      234.3      121.9
  146   5   3   4 39.05   78.1     0.409    3.38   24       71.4       22.2
  147   7   0   4 39.05   78.1     0.409    3.38   12       60.3        7.9
  148   6   2   3 39.101  78.203   0.409    3.37   24       74.3       24.1
  149   2   1  11 39.532  79.063   0.413    3.32   24       48.1        9.9
  150   7   1   0 39.644  79.288   0.414    3.3    12       22.6        1.1
  151   4   0  10 39.685  79.371   0.415    3.3    12      125.5       33.5
  152   4   3   7 39.702  79.404   0.415    3.29   24        2.4        0.0
  153   5   1   8 39.77   79.541   0.415    3.28   24        9.6        0.4
  154   7   1   1 39.815  79.631   0.416    3.28   24       14.8        0.9
  155   6   1   6 39.975  79.95    0.417    3.26   24        6.8        0.2
  156   6   2   4 40.299  80.598   0.42     3.22   24       15.4        1.0
  157   7   1   2 40.327  80.655   0.42     3.21   24        8.5        0.3
  158   5   2   7 40.532  81.065   0.422    3.19   24       41.1        7.0
  159   0   0  12 40.55   81.101   0.422    3.19    2      115.3        4.6
  160   5   3   5 40.589  81.177   0.422    3.18   24       63.0       16.3
  161   3   2  10 40.93   81.859   0.425    3.15   24       22.2        2.0
  162   1   0  12 40.964  81.928   0.426    3.14   12       77.9       12.3
  163   7   1   3 41.178  82.355   0.427    3.12   24       10.8        0.5
  164   5   4   0 41.302  82.604   0.428    3.11   12       75.8       11.5
  165   4   2   9 41.421  82.843   0.429    3.09   24       77.9       24.2
  166   5   4   1 41.471  82.943   0.43     3.09   24       30.5        3.7
  167   4   1  10 41.755  83.509   0.432    3.06   24       39.0        6.0
  168   1   1  12 41.789  83.578   0.433    3.06   12       71.2       10.0
  169   6   2   5 41.827  83.654   0.433    3.05   24       57.4       13.0
  170   6   0   8 41.839  83.678   0.433    3.05   12       59.3        6.9
  171   5   4   2 41.979  83.958   0.434    3.04   24       18.1        1.3
  172   3   1  11 42.014  84.029   0.434    3.04   24       41.4        6.7
  173   4   4   6 42.042  84.083   0.435    3.03   12      100.6       19.8
  174   6   3   0 42.126  84.251   0.435    3.03   12       35.2        2.4
  175   6   1   7 42.183  84.365   0.436    3.02   24        9.5        0.4
  176   2   0  12 42.201  84.401   0.436    3.02   12      112.0       24.5
  177   4   3   8 42.25   84.501   0.436    3.02   24       71.7       20.0
  178   6   3   1 42.295  84.589   0.437    3.01   24       17.6        1.2
  179   7   1   4 42.362  84.725   0.437    3.01   24       83.5       27.0
  180   5   3   6 42.453  84.905   0.438    3.0    24       10.9        0.5
  181   7   0   6 42.453  84.905   0.438    3.0    12       25.8        1.3
  182   8   0   0 42.537  85.073   0.439    2.99    6      114.5       12.6
  183   5   1   9 42.656  85.311   0.44     2.98   24       81.4       25.5
  184   6   3   2 42.801  85.602   0.441    2.97   24        7.6        0.2
  185   5   4   3 42.824  85.647   0.441    2.97   24       12.2        0.6
  186   5   2   8 43.071  86.143   0.443    2.95   24      148.9       84.4
  187   8   0   2 43.211  86.422   0.444    2.94   12       70.4        9.4
  188   5   0  10 43.398  86.795   0.446    2.92   12       16.3        0.5
  189   2   1  12 43.432  86.863   0.446    2.92   24       18.0        1.2
  190   6   3   3 43.643  87.287   0.448    2.91   24       12.1        0.6
  191   6   2   6 43.683  87.366   0.448    2.9    24       74.7       20.9
  192   7   2   0 43.767  87.534   0.449    2.9    12       63.9        7.6
  193   7   1   5 43.879  87.759   0.45     2.89   24       10.8        0.4
  194   7   2   1 43.935  87.87    0.45     2.89   24       30.4        3.4
  195   5   4   4 44.003  88.005   0.451    2.88   24        8.4        0.3
  196   3   3  10 44.217  88.433   0.453    2.87   12       38.6        2.8
  197   3   0  12 44.251  88.502   0.453    2.87   12       10.8        0.2
  198   7   2   2 44.44   88.88    0.454    2.86   24       15.1        0.8
  199   3   2  11 44.475  88.95    0.455    2.86   24       26.5        2.6
  200   4   2  10 44.626  89.252   0.456    2.85   24       58.9       12.7
  201   5   3   7 44.642  89.284   0.456    2.85   24       45.4        7.6
  202   6   1   8 44.71   89.419   0.457    2.84   24       24.0        2.1
  203   6   3   4 44.821  89.642   0.458    2.84   24       38.2        5.4


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

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

    1   1   0   0   4.848   9.695  9.11492       61.8      4.3      4.4     5.6
    2   0   0   2   6.22   12.441  7.109        662.0     46.2     46.5     5.6
    3   1   0   2   7.898  15.796  5.60565      159.2     11.1     11.2     5.6
    4   1   1   0   8.417  16.833  5.2625       259.8     18.1     18.2     5.6
    5   2   0   0   9.731  19.461  4.55746       50.7      3.5      3.5     5.6
    6   1   1   2  10.493  20.986  4.22969       36.6      2.6      2.6     5.6
    7   2   0   2  11.582  23.163  3.83673     1432.6    100.0    100.0     5.6
    8   0   0   4  12.516  25.031  3.5545        59.0      4.1      4.1     5.6
    9   2   1   0  12.92   25.84   3.44511       61.6      4.3      4.3     5.6
   10   2   1   1  13.3    26.601  3.34823      872.5     60.9     60.7     5.6
   11   1   0   4  13.45   26.9    3.31161      388.6     27.1     27.1     5.6
   12   2   1   2  14.386  28.772  3.10025       64.9      4.5      4.5     5.6
   13   3   0   0  14.686  29.372  3.03831       84.9      5.9      5.9     5.6
   14   1   1   4  15.16   30.319  2.94554      620.9     43.3     43.1     5.6
   15   2   0   4  15.951  31.903  2.80283      755.8     52.8     52.4     5.6
   16   3   0   2  16.004  32.008  2.79384       37.3      2.6      2.6     5.6
   17   2   1   3  16.046  32.093  2.78666      162.8     11.4     11.3     5.6
   18   2   2   0  17.022  34.044  2.63125      666.4     46.5     46.1     5.7
   19   3   1   0  17.74   35.48   2.52802       22.2      1.5      1.5     5.7
   20   3   1   1  18.028  36.055  2.48899      151.8     10.6     10.5     5.7
   21   2   1   4  18.142  36.284  2.47383       40.7      2.8      2.8     5.7
   22   2   2   2  18.189  36.378  2.46765      140.5      9.8      9.7     5.7
   23   3   0   4  19.483  38.965  2.30955       48.4      3.4      3.3     5.7
   24   4   0   0  19.757  39.514  2.27873       33.7      2.4      2.3     5.7
   25   3   1   3  20.202  40.404  2.23053       84.8      5.9      5.8     5.7
   26   4   0   2  20.792  41.583  2.16998      219.9     15.4     15.1     5.7
   27   2   2   4  21.36   42.72   2.11485      288.9     20.2     19.8     5.7
   28   2   0   6  21.492  42.984  2.10245      133.8      9.3      9.2     5.7
   29   3   2   0  21.615  43.229  2.09111       53.0      3.7      3.6     5.7
   30   3   1   4  21.956  43.913  2.06012      288.4     20.1     19.8     5.7
   31   4   1   0  22.784  45.569  1.98904       72.5      5.1      5.0     5.7
   32   4   1   1  23.019  46.038  1.96986       37.9      2.6      2.6     5.7
   33   4   0   4  23.674  47.348  1.91836       37.1      2.6      2.5     5.7
   34   3   1   5  24.06   48.121  1.88934      144.4     10.1      9.8     5.7
   35   5   0   0  24.995  49.99   1.82298      103.8      7.2      7.1     5.7
   36   3   2   4  25.301  50.602  1.80235       38.9      2.7      2.6     5.8
   37   0   0   8  25.684  51.368  1.77725      177.7     12.4     12.1     5.8
   38   2   2   6  25.941  51.882  1.76085      214.7     15.0     14.6     5.8
   39   3   3   0  26.047  52.095  1.75417       30.3      2.1      2.1     5.8
   40   2   1   7  26.119  52.238  1.74969       28.0      2.0      1.9     5.8
   41   4   1   4  26.345  52.69   1.73576       25.8      1.8      1.7     5.8
   42   4   2   0  26.562  53.125  1.72256       52.2      3.6      3.5     5.8
   43   4   2   1  26.772  53.544  1.71005       42.9      3.0      2.9     5.8
   44   4   2   2  27.394  54.789  1.67411       88.9      6.2      6.0     5.8
   45   4   0   6  27.967  55.934  1.64251       75.2      5.2      5.1     5.8
   46   5   1   1  28.27   56.54   1.62634       84.5      5.9      5.7     5.8
   47   5   1   2  28.871  57.741  1.59533       26.3      1.8      1.8     5.8
   48   2   1   8  29.188  58.377  1.57946       22.2      1.5      1.5     5.8
   49   3   3   4  29.319  58.639  1.57304       97.6      6.8      6.6     5.8
   50   4   2   4  29.796  59.592  1.55012       85.1      5.9      5.7     5.8
   51   5   1   3  29.854  59.709  1.54737       19.7      1.4      1.3     5.8
   52   3   0   8  30.14   60.28   1.53407       32.4      2.3      2.2     5.8
   53   4   1   6  30.371  60.743  1.52349       31.5      2.2      2.1     5.8
   54   6   0   0  30.467  60.934  1.51915       40.5      2.8      2.7     5.8
   55   4   3   0  30.933  61.867  1.49848       16.1      1.1      1.1     5.8
   56   6   0   2  31.231  62.463  1.48561      100.6      7.0      6.7     5.8
   57   2   2   8  31.535  63.069  1.47277      275.6     19.2     18.4     5.9
   58   5   2   0  31.854  63.707  1.45955      139.8      9.8      9.3     5.9
   59   5   2   2  32.599  65.198  1.42973       29.7      2.1      2.0     5.9
   60   4   1   7  32.822  65.643  1.42111       18.1      1.3      1.2     5.9
   61   5   1   5  32.883  65.766  1.41877       28.2      2.0      1.9     5.9
   62   4   0   8  33.343  66.685  1.40141       22.6      1.6      1.5     5.9
   63   6   0   4  33.464  66.928  1.39692      123.4      8.6      8.2     5.9
   64   4   2   6  33.562  67.123  1.39333       71.3      5.0      4.7     5.9
   65   2   0  10  34.577  69.154  1.35728       58.9      4.1      3.9     5.9
   66   3   2   8  34.667  69.333  1.35422       28.2      2.0      1.9     5.9
   67   5   2   4  34.786  69.572  1.35016       20.7      1.4      1.4     5.9
   68   3   1   9  35.097  70.194  1.33971      158.8     11.1     10.5     5.9
   69   2   1  10  35.88   71.76   1.31427       14.6      1.0      1.0     5.9
   70   7   0   0  36.267  72.535  1.30213       36.3      2.5      2.4     5.9
   71   5   3   1  36.443  72.887  1.2967        33.2      2.3      2.2     6.0
   72   4   4   2  36.543  73.086  1.29366       55.5      3.9      3.6     6.0
   73   5   0   8  37.25   74.5    1.27257       16.7      1.2      1.1     6.0
   74   6   2   0  37.546  75.091  1.26401       58.2      4.1      3.8     6.0
   75   6   2   1  37.72   75.439  1.25905       37.2      2.6      2.4     6.0
   76   5   3   3  37.841  75.682  1.2556        23.1      1.6      1.5     6.0
   77   6   2   2  38.24   76.479  1.24449       62.2      4.3      4.1     6.0
   78   4   2   8  38.517  77.033  1.23692       36.0      2.5      2.3     6.0
   79   4   4   4  38.631  77.262  1.23382      121.9      8.5      7.9     6.0
   80   5   3   4  39.05   78.1    1.22267       30.2      2.1      2.0     6.0
   81   6   2   3  39.101  78.203  1.22132       24.1      1.7      1.6     6.0
   82   4   0  10  39.685  79.371  1.20626       33.5      2.3      2.2     6.0
   83   5   3   5  40.589  81.177  1.18391       16.3      1.1      1.1     6.1
   84   4   2   9  41.421  82.843  1.16428       24.2      1.7      1.6     6.1
   85   6   2   5  41.827  83.654  1.15504       19.9      1.4      1.3     6.1
   86   4   4   6  42.042  84.083  1.15024       26.5      1.9      1.7     6.1
   87   2   0  12  42.201  84.401  1.14671       24.5      1.7      1.6     6.1
   88   4   3   8  42.25   84.501  1.14562       20.0      1.4      1.3     6.1
   89   7   1   4  42.362  84.725  1.14316       27.0      1.9      1.7     6.1
   90   5   1   9  42.656  85.311  1.13679       25.5      1.8      1.6     6.1
   91   5   2   8  43.071  86.143  1.12794       84.4      5.9      5.4     6.1
   92   6   2   6  43.683  87.366  1.11527       20.9      1.5      1.3     6.2
   93   4   2  10  44.626  89.252  1.09652       20.3      1.4      1.3     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)