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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OMINELITE

3, syn

Fe++Al(3)BSiO(9)


Orthorhombic  P bnm  Z = 4

Pbnm

2 .12 .9

Ref.Str.:

         Dzikowski T.J., Groat L.A., Grew E.S. (2007)

         * Amer. Mineral. 92, 863-872

         R: See U(ij) in the original.  N.A.D.

                   Initial data from BDM-file 

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

             a =  10.363    alpha =   90.0 
             b =  11.129    beta  =   90.0 
             c =   5.769    gamma =   90.0 

    Unit cell volume (cub. angs.) =   665.34

    Molar volume ( cub.cm/mol.) =   100.19

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

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

   1 0.0958  0.2191  0.25     0.0    Fe    = 1.00
   2 0.0     0.0     0.0      0.0    Al    = 1.00
   3 0.5     0.0     0.0      0.0    Al    = 1.00
   4 0.2267  0.4484  0.25     0.0    Al    = 1.00
   5 0.2509  0.0003  0.75     0.0    B     = 1.00
   6 0.435   0.2636  0.25     0.0    Si    = 1.00
   7 0.2776  0.2909  0.25     0.0    O     = 1.00
   8 0.1174  0.0193  0.25     0.0    O     = 1.00
   9 0.121   0.9956  0.75     0.0    O     = 1.00
  10 0.4741  0.1218  0.25     0.0    O     = 1.00
  11 0.5463  0.0964  0.75     0.0    O     = 1.00
  12 0.9933  0.1697  0.9762   0.0    O     = 1.00
  13 0.1808  0.5011  0.9548   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0958     0.2191     0.25  
     2       2     0.0        0.0        0.0   
     3       3     0.5        0.0        0.0   
     4       4     0.2267     0.4484     0.25  
     5       5     0.2509     0.0003     0.75  
     6       6     0.435      0.2636     0.25  
     7       7     0.2776     0.2909     0.25  
     8       8     0.1174     0.0193     0.25  
     9       9     0.121      0.9956     0.75  
    10      10     0.4741     0.1218     0.25  
    11      11     0.5463     0.0964     0.75  
    12      12     0.9933     0.1697     0.9762
    13      13     0.1808     0.5011     0.9548
    14       1     0.9042     0.7809     0.75  
    15       4     0.7733     0.5516     0.75  
    16       5     0.7491     0.9997     0.25  
    17       6     0.565      0.7364     0.75  
    18       7     0.7224     0.7091     0.75  
    19       8     0.8826     0.9807     0.75  
    20       9     0.879      0.0044     0.25  
    21      10     0.5259     0.8782     0.75  
    22      11     0.4537     0.9036     0.25  
    23      12     0.0067     0.8303     0.0238
    24      13     0.8192     0.4989     0.0452
    25       2     0.0        0.0        0.5   
    26       3     0.5        0.0        0.5   
    27      12     0.0067     0.8303     0.4762
    28      13     0.8192     0.4989     0.4548
    29      12     0.9933     0.1697     0.5238
    30      13     0.1808     0.5011     0.5452
    31       1     0.4042     0.7191     0.25  
    32       2     0.5        0.5        0.0   
    33       3     0.0        0.5        0.0   
    34       4     0.2733     0.9484     0.25  
    35       5     0.2491     0.5003     0.75  
    36       6     0.065      0.7636     0.25  
    37       7     0.2224     0.7909     0.25  
    38       8     0.3826     0.5193     0.25  
    39       9     0.379      0.4956     0.75  
    40      10     0.0259     0.6218     0.25  
    41      11     0.9537     0.5964     0.75  
    42      12     0.5067     0.6697     0.9762
    43      13     0.3192     0.0011     0.9548
    44       1     0.5958     0.2809     0.75  
    45       4     0.7267     0.0516     0.75  
    46       5     0.7509     0.4997     0.25  
    47       6     0.935      0.2364     0.75  
    48       7     0.7776     0.2091     0.75  
    49       8     0.6174     0.4807     0.75  
    50       9     0.621      0.5044     0.25  
    51      10     0.9741     0.3782     0.75  
    52      11     0.0463     0.4036     0.25  
    53      12     0.4933     0.3303     0.0238
    54      13     0.6808     0.9989     0.0452
    55       2     0.5        0.5        0.5   
    56       3     0.0        0.5        0.5   
    57      12     0.4933     0.3303     0.4762
    58      13     0.6808     0.9989     0.4548
    59      12     0.5067     0.6697     0.5238
    60      13     0.3192     0.0011     0.5452


X-ray density (g/cm cub.)   =      3.19

MU (1/cm) =     141.974    Mass attenuation coefficient (cm**2/g) =     44.501

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

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

    1    Fe                  2.592        5
                                                 2.0467       7
                                                 2.2346       8
                                                 1.9811      12
                                                 1.9811      12
                                                 2.1166      11
    2    Al                  2.316        6
                                                 1.899        8
                                                 1.9118       9
                                                 1.8945      12
                                                 1.899        8
                                                 1.9118       9
                                                 1.8945      12
    3    Al                  2.316        6
                                                 1.9974      10
                                                 1.8605      11
                                                 1.9974      10
                                                 1.8605      11
                                                 1.8915      13
                                                 1.8915      13
    4    Al                  2.316        5
                                                 1.8305       7
                                                 1.8631      13
                                                 1.8631      13
                                                 1.7981       8
                                                 1.9347      11
    5    B                   1.872        3
                                                 1.3472       9
                                                 1.3774      13
                                                 1.3774      13
    6    Si                  2.1          4
                                                 1.6593       7
                                                 1.6291      10
                                                 1.6185      12
                                                 1.6185      12
    7    O                   3.264        7
                                                 2.7728      10
                                                 3.0629      13
                                                 3.0629      13
                                                 2.765        8
                                                 2.7053      11
                                                 2.6254      12
                                                 2.6254      12
    8    O                   3.264       10
                                                 2.8968       9
                                                 2.8968       9
                                                 2.6361      12
                                                 2.4761       9
                                                 2.728       12
                                                 2.728       12
                                                 2.6361      12
                                                 2.765        7
                                                 2.7047      13
                                                 2.7047      13
    9    O                   3.264        9
                                                 2.8968       8
                                                 2.8968       8
                                                 2.6845      12
                                                 2.4761       8
                                                 2.6984      12
                                                 2.6984      12
                                                 2.6845      12
                                                 2.3705      13
                                                 2.3705      13
   10    O                   3.264       10
                                                 2.7728       7
                                                 2.9933      11
                                                 2.9933      11
                                                 2.4375      11
                                                 2.6981      13
                                                 2.6699      12
                                                 2.8027      13
                                                 2.6699      12
                                                 2.8027      13
                                                 2.6981      13
   11    O                   3.264       10
                                                 2.9933      10
                                                 2.9933      10
                                                 2.4375      10
                                                 2.8386      13
                                                 2.7053       7
                                                 3.0942      12
                                                 2.4537      13
                                                 3.0942      12
                                                 2.4537      13
                                                 2.8386      13
   12    O                   3.264        9
                                                 2.6361       8
                                                 2.6845       9
                                                 2.728        8
                                                 2.6984       9
                                                 3.1591      12
                                                 2.6099      12
                                                 2.6254       7
                                                 2.6699      10
                                                 3.0942      11
   13    O                   3.264        8
                                                 3.0629       7
                                                 2.363       13
                                                 2.7047       8
                                                 2.3705       9
                                                 2.6981      10
                                                 2.8386      11
                                                 2.8027      10
                                                 2.4537      11

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

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

    1   1   1   0  6.773  13.546   0.066  140.82    4       17.0       36.9
    2   0   2   0  9.25   18.5     0.09    74.48    2       79.0      210.1
    3   2   0   0  9.941  19.881   0.096   64.2     2      147.8      633.5
    4   1   0   1 10.221  20.443   0.099   60.6     4      128.0      897.0
    5   1   2   0 10.513  21.025   0.102   57.17    4       24.5       30.9
    6   2   1   0 10.977  21.954   0.106   52.26    4       46.6      102.5
    7   1   1   1 11.233  22.467   0.109   49.81    8       21.2       40.5
    8   0   2   1 12.905  25.81    0.125   37.24    4        9.8        3.2
    9   2   2   0 13.643  27.287   0.132   33.1     4       51.5       79.2
   10   1   2   1 13.853  27.706   0.134   32.05    8       80.9      379.2
   11   2   1   1 14.215  28.43    0.137   30.34    8        3.2        0.6
   12   1   3   0 14.839  29.677   0.143   27.68    4       70.9      125.9
   13   3   1   0 15.731  31.462   0.152   24.42    4       22.8       11.4
   14   2   2   1 16.396  32.792   0.158   22.33    8       40.0       64.7
   15   2   3   0 17.25   34.5     0.166   19.99    4        8.1        1.2
   16   1   3   1 17.42   34.84    0.167   19.57    8        0.6        0.0
   17   3   0   1 17.566  35.133   0.169   19.22    4      112.9      221.4
   18   3   2   0 17.745  35.489   0.17    18.8     4       48.2       39.5
   19   0   0   2 18.065  36.13    0.173   18.07    2      132.5      143.3
   20   3   1   1 18.2    36.399   0.175   17.78    8       40.9       53.8
   21   0   4   0 18.753  37.506   0.18    16.65    2      237.5      424.4
   22   1   1   2 19.376  38.752   0.185   15.49    8        6.0        1.0
   23   1   4   0 19.443  38.887   0.186   15.37    4       38.8       20.9
   24   2   3   1 19.55   39.1     0.187   15.18    8       45.0       55.4
   25   3   2   1 19.995  39.991   0.191   14.44    8       97.9      250.3
   26   4   0   0 20.197  40.394   0.193   14.12    2       90.7       52.5
   27   0   2   2 20.443  40.886   0.195   13.75    4      128.0      203.5
   28   3   3   0 20.721  41.442   0.198   13.34    4       12.1        1.8
   29   4   1   0 20.762  41.524   0.198   13.28    4       18.3        4.0
   30   2   0   2 20.788  41.575   0.198   13.24    4       60.2       43.4
   31   0   4   1 20.911  41.823   0.2     13.07    4       53.7       34.1
   32   1   2   2 21.087  42.174   0.201   12.83    8       16.7        6.5
   33   2   1   2 21.339  42.679   0.203   12.49    8       48.5       53.2
   34   2   4   0 21.402  42.803   0.204   12.41    4        7.3        0.6
   35   1   4   1 21.544  43.087   0.205   12.23    8       35.1       27.2
   36   4   2   0 22.386  44.771   0.213   11.21    4       79.2       63.6
   37   3   3   1 22.724  45.449   0.216   10.84    8        0.8        0.0
   38   4   1   1 22.762  45.524   0.216   10.8     8        6.6        0.9
   39   2   2   2 22.93   45.86    0.218   10.62    8       87.2      146.1
   40   2   4   1 23.358  46.716   0.222   10.19    8        1.8        0.1
   41   1   3   2 23.714  47.428   0.225    9.84    8       53.6       51.1
   42   1   5   0 24.269  48.538   0.23     9.34    4      138.2      161.2
   43   4   2   1 24.28   48.559   0.23     9.33    8       48.7       40.0
   44   3   1   2 24.325  48.649   0.23     9.29    8       92.2      142.7
   45   3   4   0 24.381  48.762   0.231    9.24    4       24.5        5.0
   46   4   3   0 24.905  49.81    0.235    8.81    4       21.0        3.5
   47   2   3   2 25.408  50.816   0.24     8.41    8        8.2        1.0
   48   3   2   2 25.772  51.544   0.243    8.15    8       50.9       38.2
   49   2   5   0 25.936  51.872   0.244    8.03    4       38.5       10.8
   50   5   1   0 26.039  52.078   0.245    7.96    4       90.8       59.3
   51   1   5   1 26.059  52.118   0.246    7.94    8       38.0       20.7
   52   3   4   1 26.165  52.33    0.246    7.87    8       56.3       45.1
   53   0   4   2 26.53   53.06    0.25     7.63    4       32.2        7.1
   54   4   3   1 26.663  53.327   0.251    7.54    8       15.2        3.1
   55   1   4   2 27.06   54.121   0.254    7.29    8       41.3       22.4
   56   5   0   1 27.295  54.59    0.256    7.15    4      110.5       78.8
   57   5   2   0 27.421  54.842   0.257    7.07    4       35.1        7.9
   58   2   5   1 27.648  55.296   0.259    6.94    8       92.7      107.9
   59   4   0   2 27.65   55.299   0.259    6.94    4      116.1       84.6
   60   5   1   1 27.747  55.493   0.26     6.89    8       75.6       71.1
   61   3   3   2 28.065  56.13    0.263    6.71    8       17.0        3.5
   62   4   1   2 28.097  56.195   0.263    6.69    8       25.4        7.8
   63   4   4   0 28.148  56.297   0.264    6.67    4       26.2        4.1
   64   1   0   3 28.234  56.469   0.264    6.62    4      128.8       99.2
   65   3   5   0 28.559  57.117   0.267    6.45    4       41.3        9.9
   66   2   4   2 28.611  57.223   0.268    6.42    8       42.9       21.4
   67   1   1   3 28.676  57.352   0.268    6.39    8       37.6       16.3
   68   0   6   0 28.831  57.663   0.27     6.31    2       89.1       22.6
   69   5   2   1 29.073  58.147   0.272    6.2     8       24.1        6.5
   70   1   6   0 29.334  58.667   0.274    6.07    4       10.9        0.7
   71   4   2   2 29.414  58.828   0.275    6.03    8        5.4        0.3
   72   0   2   3 29.481  58.961   0.275    6.0     4       12.1        0.8
   73   5   3   0 29.627  59.254   0.276    5.94    4       62.8       21.2
   74   4   4   1 29.774  59.548   0.278    5.87    8       12.3        1.6
   75   1   2   3 29.976  59.953   0.279    5.78    8       22.0        5.1
   76   3   5   1 30.17   60.341   0.281    5.7     8       23.5        5.7
   77   2   1   3 30.173  60.345   0.281    5.7     8       25.3        6.6
   78   0   6   1 30.434  60.868   0.283    5.59    4        4.0        0.1
   79   2   6   0 30.81   61.621   0.286    5.44    4       37.4        6.9
   80   1   6   1 30.92   61.841   0.287    5.4     8       63.3       39.1
   81   1   5   2 30.989  61.978   0.288    5.37    8      107.4      112.0
   82   3   4   2 31.084  62.168   0.289    5.34    8       27.4        7.2
   83   6   0   0 31.19   62.38    0.289    5.3     2        1.4        0.0
   84   5   3   1 31.205  62.409   0.29     5.29    8       56.2       30.2
   85   2   2   3 31.435  62.87    0.292    5.21    8       46.9       20.7
   86   4   3   2 31.531  63.063   0.292    5.17    8       20.7        4.0
   87   6   1   0 31.606  63.212   0.293    5.14    4       66.5       20.6
   88   4   5   0 31.992  63.984   0.296    5.01    4        3.7        0.1
   89   1   3   3 32.072  64.143   0.297    4.98    8        3.7        0.1
   90   3   0   3 32.165  64.329   0.298    4.95    4       74.3       24.7
   91   2   6   1 32.354  64.708   0.299    4.89    8       46.6       19.2
   92   2   5   2 32.421  64.843   0.3      4.87    8       30.9        8.4
   93   5   1   2 32.511  65.022   0.3      4.84    8       59.6       31.0
   94   5   4   0 32.558  65.115   0.301    4.82    4       16.8        1.2
   95   3   1   3 32.574  65.148   0.301    4.82    8       15.8        2.2
   96   6   2   0 32.837  65.674   0.303    4.73    4      129.6       71.8
   97   6   1   1 33.129  66.259   0.306    4.65    8       39.9       13.4
   98   3   6   0 33.186  66.371   0.306    4.63    4       88.3       32.6
   99   2   3   3 33.479  66.957   0.308    4.54    8       61.3       30.9
  100   4   5   1 33.506  67.012   0.309    4.54    8       53.7       23.6
  101   5   2   2 33.724  67.449   0.31     4.47    8       19.7        3.1
  102   3   2   3 33.786  67.572   0.311    4.46    8       92.3       68.6
  103   5   4   1 34.058  68.117   0.313    4.38    8       20.9        3.5
  104   6   2   1 34.332  68.663   0.315    4.31    8        4.1        0.1
  105   4   4   2 34.371  68.741   0.316    4.3     8      105.9       87.1
  106   0   4   3 34.432  68.864   0.316    4.29    4       62.6       15.2
  107   3   6   1 34.673  69.346   0.318    4.22    8       43.8       14.6
  108   1   7   0 34.694  69.387   0.318    4.22    4       53.6       11.0
  109   3   5   2 34.738  69.476   0.319    4.21    8       54.9       22.9
  110   6   3   0 34.838  69.676   0.319    4.18    4       74.4       20.9
  111   1   4   3 34.888  69.776   0.32     4.17    8       60.5       27.6
  112   0   6   2 34.983  69.965   0.32     4.15    4      162.1       98.5
  113   1   6   2 35.436  70.871   0.324    4.04    8       11.9        1.0
  114   5   3   2 35.701  71.403   0.326    3.98    8       51.2       18.9
  115   3   3   3 35.762  71.523   0.327    3.97    8        1.9        0.0
  116   4   1   3 35.79   71.58    0.327    3.96    8       28.8        6.0
  117   2   7   0 36.05   72.1     0.329    3.91    4       13.5        0.6
  118   5   5   0 36.135  72.271   0.33     3.89    4       66.2       15.4
  119   1   7   1 36.152  72.303   0.33     3.89    8       21.3        3.2
  120   2   4   3 36.242  72.483   0.33     3.87    8       11.1        0.9
  121   6   3   1 36.294  72.587   0.331    3.86    8        5.1        0.2
  122   4   6   0 36.376  72.752   0.332    3.84    4       70.3       17.2
  123   2   6   2 36.781  73.561   0.335    3.76    8      106.4       77.0
  124   4   2   3 36.953  73.906   0.336    3.73    8       25.4        4.3
  125   6   0   2 37.129  74.259   0.337    3.7     4      221.7      164.1
  126   2   7   1 37.486  74.973   0.34     3.63    8       66.1       28.7
  127   6   1   2 37.513  75.026   0.34     3.63    8       47.4       14.8
  128   7   1   0 37.554  75.108   0.341    3.62    4       44.1        6.4
  129   6   4   0 37.557  75.114   0.341    3.62    4       18.1        1.1
  130   5   5   1 37.57   75.141   0.341    3.62    8        3.6        0.1
  131   4   6   1 37.808  75.615   0.343    3.58    8       95.9       59.4
  132   4   5   2 37.87   75.741   0.343    3.57    8       14.9        1.4
  133   3   7   0 38.267  76.535   0.346    3.5     4       26.9        2.3
  134   0   0   4 38.33   76.659   0.347    3.49    2      293.3      135.7
  135   1   5   3 38.369  76.738   0.347    3.48    8       13.7        1.2
  136   5   4   2 38.396  76.792   0.347    3.48    8       25.1        4.0
  137   3   4   3 38.455  76.91    0.348    3.47    8       43.3       11.8
  138   7   0   1 38.592  77.183   0.349    3.45    4       40.4        5.1
  139   6   2   2 38.657  77.314   0.349    3.44    8       13.7        1.2
  140   7   2   0 38.697  77.395   0.349    3.43    4       18.0        1.0
  141   4   3   3 38.862  77.724   0.351    3.41    8       17.4        1.9
  142   7   1   1 38.971  77.941   0.352    3.39    8        4.6        0.1
  143   6   4   1 38.973  77.947   0.352    3.39    8       45.6       12.7
  144   3   6   2 38.983  77.966   0.352    3.39    8       81.5       40.7
  145   1   1   4 39.146  78.292   0.353    3.37    8       14.2        1.2
  146   5   0   3 39.384  78.767   0.355    3.34    4       69.3       14.5
  147   3   7   1 39.676  79.352   0.357    3.3     8        6.5        0.3
  148   2   5   3 39.678  79.356   0.357    3.3     8       52.7       16.5
  149   5   1   3 39.76   79.521   0.358    3.29    8       45.8       12.5
  150   0   2   4 39.842  79.685   0.358    3.27    4       22.1        1.4
  151   0   8   0 40.014  80.028   0.359    3.25    2      104.6       16.1
  152   2   0   4 40.073  80.146   0.36     3.25    4       93.5       25.7
  153   7   2   1 40.102  80.203   0.36     3.24    8       35.3        7.3
  154   1   2   4 40.276  80.551   0.361    3.22    8       13.3        1.0
  155   5   6   0 40.327  80.653   0.362    3.21    4       42.5        5.2
  156   1   7   2 40.404  80.808   0.362    3.21    8       49.4       14.2
  157   1   8   0 40.447  80.894   0.363    3.2     4       19.6        1.1
  158   2   1   4 40.448  80.896   0.363    3.2     8       31.5        5.7
  159   6   3   2 40.541  81.082   0.363    3.19    8       68.5       27.0
  160   7   3   0 40.581  81.162   0.364    3.18    4       38.2        4.2
  161   5   2   3 40.886  81.772   0.366    3.15    8       34.9        6.9
  162   6   5   0 40.958  81.916   0.366    3.14    4        6.0        0.1
  163   4   7   0 41.307  82.614   0.369    3.11    4        0.9        0.0
  164   0   8   1 41.407  82.814   0.37     3.1     4       21.8        1.3
  165   4   4   3 41.491  82.982   0.37     3.09    8        4.5        0.1
  166   2   2   4 41.569  83.139   0.371    3.08    8       13.2        1.0
  167   2   7   2 41.697  83.394   0.372    3.07    8       18.8        2.0
  168   5   6   1 41.717  83.435   0.372    3.06    8       45.9       11.7
  169   2   8   0 41.74   83.479   0.372    3.06    4       76.6       16.2
  170   5   5   2 41.779  83.557   0.372    3.06    8       50.0       13.8
  171   3   5   3 41.836  83.672   0.373    3.05    8       32.9        6.0
  172   1   8   1 41.837  83.674   0.373    3.05    8       35.0        6.7
  173   7   3   1 41.97   83.941   0.374    3.04    8       40.0        8.8
  174   4   6   2 42.01   84.019   0.374    3.04    8       88.3       42.8
  175   0   6   3 42.067  84.134   0.375    3.03    4        5.7        0.1
  176   1   3   4 42.143  84.286   0.375    3.03    8       33.3        6.1
  177   6   5   1 42.345  84.69    0.377    3.01    8       25.7        3.6
  178   1   6   3 42.496  84.992   0.378    2.99    8       29.3        4.6
  179   3   1   4 42.599  85.197   0.378    2.99    8        2.3        0.0
  180   4   7   1 42.692  85.384   0.379    2.98    8       62.3       20.9
  181   5   3   3 42.748  85.496   0.379    2.97    8       46.3       11.5
  182   2   8   1 43.123  86.245   0.382    2.94    8        2.7        0.0
  183   7   1   2 43.146  86.292   0.382    2.94    8       12.4        0.8
  184   6   4   2 43.149  86.297   0.382    2.94    8      147.1      115.1
  185   7   4   0 43.188  86.376   0.383    2.94    4       44.7        5.3
  186   2   3   4 43.427  86.855   0.384    2.92    8        7.0        0.3
  187   8   0   0 43.67   87.34    0.386    2.91    2       70.5        6.5
  188   3   2   4 43.711  87.423   0.386    2.9     8       33.2        5.8
  189   2   6   3 43.779  87.559   0.387    2.9     8       40.1        8.4
  190   3   7   2 43.838  87.677   0.387    2.89    8       39.3        8.1
  191   3   8   0 43.881  87.761   0.387    2.89    4       22.5        1.3
  192   8   1   0 44.04   88.081   0.389    2.88    4       58.7        9.0
  193   7   2   2 44.257  88.515   0.39     2.87    8        5.2        0.1
  194   0   4   4 44.311  88.623   0.39     2.87    4      146.3       55.5
  195   6   1   3 44.485  88.97    0.392    2.86    8       48.0       11.9
  196   7   4   1 44.567  89.134   0.392    2.85    8       53.3       14.6
  197   1   4   4 44.738  89.477   0.393    2.84    8       32.2        5.3
  198   4   5   3 44.831  89.661   0.394    2.84    8       69.3       24.6


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (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   6.773  13.546  7.5841        36.9      4.1      4.1     5.6
    2   0   2   0   9.25   18.5    5.5645       210.1     23.4     23.5     5.6
    3   2   0   0   9.941  19.881  5.1815       633.5     70.6     70.7     5.6
    4   1   0   1  10.221  20.443  5.04058      897.0    100.0    100.0     5.6
    5   1   2   0  10.513  21.025  4.90245       30.9      3.4      3.4     5.6
    6   2   1   0  10.977  21.954  4.69733      102.5     11.4     11.4     5.6
    7   1   1   1  11.233  22.467  4.59158       40.5      4.5      4.5     5.6
    8   2   2   0  13.643  27.287  3.79205       79.2      8.8      8.8     5.6
    9   1   2   1  13.853  27.706  3.73575      379.2     42.3     42.0     5.6
   10   1   3   0  14.839  29.677  3.49263      125.9     14.0     13.9     5.6
   11   3   1   0  15.731  31.462  3.29907       11.4      1.3      1.3     5.6
   12   2   2   1  16.396  32.792  3.16879       64.7      7.2      7.1     5.6
   13   3   0   1  17.566  35.133  2.96367      221.4     24.7     24.4     5.7
   14   3   2   0  17.745  35.489  2.93482       39.5      4.4      4.3     5.7
   15   0   0   2  18.065  36.13   2.8845       143.3     16.0     15.8     5.7
   16   3   1   1  18.2    36.399  2.86386       53.8      6.0      5.9     5.7
   17   0   4   0  18.753  37.506  2.78225      424.4     47.3     46.7     5.7
   18   1   4   0  19.443  38.887  2.68709       20.9      2.3      2.3     5.7
   19   2   3   1  19.55   39.1    2.673         55.4      6.2      6.1     5.7
   20   3   2   1  19.995  39.991  2.61579      250.3     27.9     27.5     5.7
   21   4   0   0  20.197  40.394  2.59075       52.5      5.8      5.8     5.7
   22   0   2   2  20.443  40.886  2.56088      203.5     22.7     22.3     5.7
   23   2   0   2  20.788  41.575  2.52029       47.4      5.3      5.2     5.7
   24   0   4   1  20.911  41.823  2.50603       34.1      3.8      3.7     5.7
   25   2   1   2  21.339  42.679  2.45805       53.2      5.9      5.8     5.7
   26   1   4   1  21.544  43.087  2.43582       27.2      3.0      3.0     5.7
   27   4   2   0  22.386  44.771  2.34867       63.6      7.1      6.9     5.7
   28   2   2   2  22.93   45.86   2.29579      146.1     16.3     15.9     5.7
   29   1   3   2  23.714  47.428  2.22406       51.1      5.7      5.6     5.7
   30   1   5   0  24.269  48.538  2.17617      201.3     22.4     21.9     5.7
   31   3   1   2  24.325  48.649  2.17152      142.7     15.9     15.5     5.7
   32   3   2   2  25.772  51.544  2.05721       38.2      4.3      4.1     5.8
   33   2   5   0  25.936  51.872  2.0451        10.8      1.2      1.2     5.8
   34   5   1   0  26.039  52.078  2.03757       80.0      8.9      8.7     5.8
   35   3   4   1  26.165  52.33   2.02845       45.1      5.0      4.9     5.8
   36   1   4   2  27.06   54.121  1.96615       22.4      2.5      2.4     5.8
   37   5   0   1  27.295  54.59   1.95054       78.8      8.8      8.5     5.8
   38   2   5   1  27.648  55.296  1.92756      192.5     21.5     20.7     5.8
   39   5   1   1  27.747  55.493  1.92125       71.1      7.9      7.7     5.8
   40   1   0   3  28.234  56.469  1.89072       99.2     11.1     10.7     5.8
   41   3   5   0  28.559  57.117  1.87102        9.9      1.1      1.1     5.8
   42   2   4   2  28.611  57.223  1.86788       21.4      2.4      2.3     5.8
   43   1   1   3  28.676  57.352  1.86401       16.3      1.8      1.8     5.8
   44   0   6   0  28.831  57.663  1.85483       22.6      2.5      2.4     5.8
   45   5   3   0  29.627  59.254  1.80936       21.2      2.4      2.3     5.8
   46   2   1   3  30.173  60.345  1.77965       12.3      1.4      1.3     5.8
   47   1   6   1  30.92   61.841  1.74072       39.1      4.4      4.2     5.8
   48   1   5   2  30.989  61.978  1.73723      112.0     12.5     11.9     5.8
   49   5   3   1  31.205  62.409  1.72644       30.2      3.4      3.2     5.8
   50   2   2   3  31.435  62.87   1.71508       20.7      2.3      2.2     5.9
   51   6   1   0  31.606  63.212  1.70674       20.6      2.3      2.2     5.9
   52   3   0   3  32.165  64.329  1.68019       24.7      2.8      2.6     5.9
   53   2   6   1  32.354  64.708  1.67142       19.2      2.1      2.0     5.9
   54   5   1   2  32.511  65.022  1.66423       31.0      3.5      3.3     5.9
   55   6   2   0  32.837  65.674  1.64953       71.8      8.0      7.6     5.9
   56   6   1   1  33.129  66.259  1.63662       13.4      1.5      1.4     5.9
   57   3   6   0  33.186  66.371  1.63415       32.6      3.6      3.5     5.9
   58   2   3   3  33.479  66.957  1.6215        54.5      6.1      5.8     5.9
   59   3   2   3  33.786  67.572  1.60847       68.6      7.6      7.3     5.9
   60   4   4   2  34.371  68.741  1.58439       87.1      9.7      9.2     5.9
   61   0   4   3  34.432  68.864  1.58192       15.2      1.7      1.6     5.9
   62   3   6   1  34.673  69.346  1.57229       25.6      2.9      2.7     5.9
   63   3   5   2  34.738  69.476  1.56972       22.9      2.6      2.4     5.9
   64   6   3   0  34.838  69.676  1.56578       20.9      2.3      2.2     5.9
   65   1   4   3  34.888  69.776  1.5638        27.6      3.1      2.9     5.9
   66   0   6   2  34.983  69.965  1.56012       98.5     11.0     10.4     5.9
   67   5   3   2  35.701  71.403  1.53277       18.9      2.1      2.0     5.9
   68   5   5   0  36.135  72.271  1.51682       18.6      2.1      1.9     5.9
   69   4   6   0  36.376  72.752  1.50816       17.2      1.9      1.8     6.0
   70   2   6   2  36.781  73.561  1.49387       77.0      8.6      8.1     6.0
   71   6   0   2  37.129  74.259  1.48183      164.1     18.3     17.1     6.0
   72   2   7   1  37.486  74.973  1.46976       43.4      4.8      4.5     6.0
   73   4   6   1  37.808  75.615  1.45912       59.4      6.6      6.2     6.0
   74   0   0   4  38.33   76.659  1.44225      135.7     15.1     14.1     6.0
   75   3   4   3  38.455  76.91   1.43827       11.8      1.3      1.2     6.0
   76   3   6   2  38.983  77.966  1.42183       53.5      6.0      5.5     6.0
   77   5   0   3  39.384  78.767  1.40969       14.5      1.6      1.5     6.0
   78   2   5   3  39.678  79.356  1.40094       16.5      1.8      1.7     6.0
   79   5   1   3  39.76   79.521  1.39852       12.5      1.4      1.3     6.0
   80   0   8   0  40.014  80.028  1.39113       16.1      1.8      1.7     6.0
   81   2   0   4  40.073  80.146  1.38943       32.9      3.7      3.4     6.0
   82   1   7   2  40.404  80.808  1.37997       14.2      1.6      1.5     6.1
   83   6   3   2  40.541  81.082  1.37611       27.0      3.0      2.8     6.1
   84   2   8   0  41.74   83.479  1.34355       29.9      3.3      3.1     6.1
   85   5   5   2  41.779  83.557  1.34252       13.8      1.5      1.4     6.1
   86   1   8   1  41.837  83.674  1.34099       12.7      1.4      1.3     6.1
   87   4   6   2  42.01   84.019  1.3365        42.8      4.8      4.4     6.1
   88   4   7   1  42.692  85.384  1.31915       20.9      2.3      2.1     6.1
   89   5   3   3  42.748  85.496  1.31775       11.5      1.3      1.2     6.1
   90   6   4   2  43.149  86.297  1.3079       115.1     12.8     11.7     6.1
   91   8   1   0  44.04   88.081  1.28669        9.0      1.0      0.9     6.2
   92   0   4   4  44.311  88.623  1.28044       55.5      6.2      5.6     6.2
   93   6   1   3  44.485  88.97   1.27649       11.9      1.3      1.2     6.2
   94   7   4   1  44.567  89.134  1.27463       14.6      1.6      1.5     6.2
   95   4   5   3  44.831  89.661  1.26871       24.6      2.7      2.5     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)