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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OMPHACITE

2, t-omphacite, f-pyroxenes, sf-Ca-Na-pyroxenes, s-augite

(Ca,Na)(Mg,Al,Fe)Si(2)O(6)


Monoclinic  P 2/n  Z = 4

R =0.058          NR =955

10 .4 .1991

Ref.Str.:

         Matsumoto T. (1975)

         * Amer. Mineral., 60, 634-641

                   Initial data from BDM-file 

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

             a =   9.585    alpha =   90.0 
             b =   8.776    beta  =  106.85
             c =   5.26     gamma =   90.0 

    Unit cell volume (cub. angs.) =   423.46

    Molar volume ( cub.cm/mol.) =    63.77

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

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

   1 0.5393  0.3465  0.2273   0.37   Si    = 1.00
   2 0.5376  0.1621  0.731    0.36   Si    = 1.00
   3 0.3624  0.3382  0.1232   0.73   O     = 1.00
   4 0.3621  0.1767  0.6475   0.74   O     = 1.00
   5 0.6138  0.509   0.3091   0.76   O     = 1.00
   6 0.6063  0.9974  0.8054   0.8    O     = 1.00
   7 0.6057  0.2663  0.0037   0.65   O     = 1.00
   8 0.5981  0.2398  0.4984   0.7    O     = 1.00
   9 0.25    0.348   0.75     0.32   Al    = 0.87, Fe    = 0.13
  10 0.25    0.158   0.25     0.43   Mg    = 0.81, Fe    = 0.19
  11 0.25    0.5521  0.25     0.86   Na    = 0.69, Ca    = 0.31
  12 0.25    0.9502  0.75     0.82   Ca    = 0.72, Na    = 0.28


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.5393     0.3465     0.2273
     2       2     0.5376     0.1621     0.731 
     3       3     0.3624     0.3382     0.1232
     4       4     0.3621     0.1767     0.6475
     5       5     0.6138     0.509      0.3091
     6       6     0.6063     0.9974     0.8054
     7       7     0.6057     0.2663     0.0037
     8       8     0.5981     0.2398     0.4984
     9       9     0.25       0.348      0.75  
    10      10     0.25       0.158      0.25  
    11      11     0.25       0.5521     0.25  
    12      12     0.25       0.9502     0.75  
    13       1     0.4607     0.6535     0.7727
    14       2     0.4624     0.8379     0.269 
    15       3     0.6376     0.6618     0.8768
    16       4     0.6379     0.8233     0.3525
    17       5     0.3862     0.491      0.6909
    18       6     0.3937     0.0026     0.1946
    19       7     0.3943     0.7337     0.9963
    20       8     0.4019     0.7602     0.5016
    21       9     0.75       0.652      0.25  
    22      10     0.75       0.842      0.75  
    23      11     0.75       0.4479     0.75  
    24      12     0.75       0.0498     0.25  
    25       1     0.9607     0.3465     0.2727
    26       2     0.9624     0.1621     0.769 
    27       3     0.1376     0.3382     0.3768
    28       4     0.1379     0.1767     0.8525
    29       5     0.8862     0.509      0.1909
    30       6     0.8937     0.9974     0.6946
    31       7     0.8943     0.2663     0.4963
    32       8     0.9019     0.2398     0.0016
    33       1     0.0393     0.6535     0.7273
    34       2     0.0376     0.8379     0.231 
    35       3     0.8624     0.6618     0.6232
    36       4     0.8621     0.8233     0.1475
    37       5     0.1138     0.491      0.8091
    38       6     0.1063     0.0026     0.3054
    39       7     0.1057     0.7337     0.5037
    40       8     0.0981     0.7602     0.9984


X-ray density (g/cm cub.)   =      3.36

MU (1/cm) =     226.052    Mass attenuation coefficient (cm**2/g) =     67.233

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

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

    1    Si                  2.1          4
                                                 1.6254       3
                                                 1.5971       5
                                                 1.6485       7
                                                 1.6619       8
    2    Si                  2.1          4
                                                 1.6158       4
                                                 1.5895       6
                                                 1.6664       7
                                                 1.646        8
    3    O                   3.264       11
                                                 3.1014       4
                                                 2.875        4
                                                 2.7647       5
                                                 2.6611       7
                                                 2.6758       8
                                                 3.2206       5
                                                 2.7058       5
                                                 2.9732       6
                                                 2.844        3
                                                 2.6249       4
                                                 2.8149       5
    4    O                   3.264       11
                                                 2.875        3
                                                 3.1014       3
                                                 2.7418       6
                                                 2.6541       7
                                                 2.6584       8
                                                 2.7718       5
                                                 3.1941       6
                                                 2.9188       6
                                                 2.6249       3
                                                 2.6691       4
                                                 3.0044       6
    5    O                   3.264        9
                                                 2.7647       3
                                                 2.6553       7
                                                 2.585        8
                                                 3.2206       3
                                                 2.7058       3
                                                 2.7718       4
                                                 3.0026       7
                                                 2.8539       5
                                                 2.8149       3
    6    O                   3.264        9
                                                 2.7418       4
                                                 2.5808       7
                                                 2.6581       8
                                                 2.9732       3
                                                 3.1941       4
                                                 2.9188       4
                                                 2.985        8
                                                 2.9764       6
                                                 3.0044       4
    7    O                   3.264        9
                                                 2.6611       3
                                                 2.6541       4
                                                 2.6553       5
                                                 2.5808       6
                                                 2.6344       8
                                                 2.6479       8
                                                 3.0026       5
                                                 3.1954       7
                                                 2.8518       8
    8    O                   3.264        8
                                                 2.6758       3
                                                 2.6584       4
                                                 2.585        5
                                                 2.6581       6
                                                 2.6479       7
                                                 2.6344       7
                                                 2.985        6
                                                 2.8518       7
    9   Al   ,Fe             2.592        6
                                                 1.9482       3
                                                 2.0102       4
                                                 1.9003       5
                                                 1.9482       3
                                                 2.0102       4
                                                 1.9003       5
   10   Mg   ,Fe             2.592        6
                                                 2.1267       3
                                                 2.0617       4
                                                 2.0186       6
                                                 2.1267       3
                                                 2.0617       4
                                                 2.0186       6
   11   Na   ,Ca             2.88         8
                                                 2.355        3
                                                 2.3696       5
                                                 2.7025       7
                                                 2.4677       8
                                                 2.355        3
                                                 2.3696       5
                                                 2.7025       7
                                                 2.4677       8
   12   Ca   ,Na             2.88         8
                                                 2.3942       4
                                                 2.3896       6
                                                 2.4825       7
                                                 2.7767       8
                                                 2.3942       4
                                                 2.3896       6
                                                 2.4825       7
                                                 2.7767       8

  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   0   1   0  5.85   11.7     0.057  189.56    2        0.5        0.0
    2   1   1   0  8.109  16.217   0.079   97.58    4       11.8       30.6
    3   1   0  -1 10.146  20.293   0.098   61.53    2       12.4       10.5
    4   2   0   0 11.245  22.491   0.109   49.7     2        2.2        0.3
    5   1   1  -1 11.743  23.486   0.114   45.4     4       14.9       22.4
    6   0   2   0 11.762  23.523   0.114   45.25    2       42.3       90.2
    7   0   1   1 11.82   23.64    0.115   44.78    4        2.9        0.8
    8   2   1   0 12.711  25.423   0.123   38.44    4        3.7        1.2
    9   1   2   0 13.059  26.119   0.126   36.31    4        4.5        1.6
   10   1   0   1 13.067  26.135   0.126   36.27    2        7.2        2.1
   11   2   1  -1 14.167  28.333   0.137   30.56    4        2.6        0.5
   12   1   1   1 14.36   28.719   0.139   29.69    4        1.0        0.1
   13   1   2  -1 15.629  31.259   0.151   24.76    4        5.8        1.8
   14   0   2   1 15.689  31.377   0.151   24.56    4       33.9       62.8
   15   2   2   0 16.386  32.771   0.158   22.36    4       52.2      136.1
   16   3   0  -1 17.155  34.311   0.165   20.24    2        7.4        1.2
   17   2   2  -1 17.564  35.127   0.169   19.22    4      143.0      877.2
   18   1   2   1 17.723  35.447   0.17    18.85    4        2.3        0.2
   19   0   3   0 17.804  35.608   0.171   18.66    2        5.1        0.5
   20   3   1   0 18.045  36.09    0.173   18.12    4       88.3      315.3
   21   3   1  -1 18.184  36.369   0.174   17.81    4       76.1      230.4
   22   2   1   1 18.442  36.884   0.177   17.27    4        3.1        0.4
   23   1   3   0 18.719  37.439   0.179   16.71    4        2.8        0.3
   24   2   0  -2 20.63   41.259   0.197   13.47    2       32.8       16.1
   25   1   3  -1 20.664  41.327   0.197   13.42    4       82.6      204.2
   26   0   3   1 20.71   41.42    0.198   13.36    4        8.6        2.2
   27   1   1  -2 20.799  41.597   0.198   13.23    4        4.6        0.6
   28   0   0   2 20.815  41.63    0.199   13.21    2      155.0      354.0
   29   3   2   0 20.887  41.775   0.199   13.1     4        3.2        0.3
   30   3   2  -1 21.011  42.022   0.2     12.93    4        4.5        0.6
   31   2   2   1 21.239  42.479   0.203   12.62    4      109.7      338.5
   32   2   3   0 21.263  42.527   0.203   12.59    4        1.6        0.1
   33   2   1  -2 21.517  43.033   0.205   12.26    4        6.1        1.0
   34   0   1   2 21.696  43.392   0.207   12.03    4        7.0        1.3
   35   2   3  -1 22.22   44.439   0.211   11.4     4        5.4        0.7
   36   1   3   1 22.351  44.702   0.213   11.25    4       12.5        3.9
   37   3   0   1 22.566  45.132   0.215   11.01    2        0.0        0.0
   38   4   0   0 22.956  45.911   0.218   10.6     2       13.8        2.2
   39   4   1  -1 23.098  46.195   0.219   10.45    4        4.9        0.6
   40   1   2  -2 23.362  46.725   0.222   10.18    4        4.7        0.5
   41   3   1   1 23.394  46.788   0.222   10.15    4       70.4      112.3
   42   3   1  -2 23.732  47.463   0.225    9.83    4        0.1        0.0
   43   4   1   0 23.773  47.546   0.225    9.79    4        7.4        1.2
   44   2   2  -2 24.019  48.038   0.228    9.56    4       16.6        5.9
   45   0   4   0 24.059  48.119   0.228    9.53    2        6.5        0.5
   46   1   1   2 24.064  48.127   0.228    9.52    4       72.4      111.4
   47   0   2   2 24.184  48.368   0.229    9.41    4       56.2       66.2
   48   1   4   0 24.783  49.566   0.234    8.91    4       11.6        2.7
   49   3   3   0 25.034  50.067   0.237    8.7     4       54.5       57.6
   50   3   3  -1 25.141  50.282   0.237    8.62    4       86.2      142.9
   51   2   3   1 25.34   50.68    0.239    8.47    4        0.8        0.0
   52   4   2  -1 25.48   50.959   0.24     8.36    4       61.9       71.4
   53   3   2   1 25.755  51.511   0.243    8.16    4        9.7        1.7
   54   3   2  -2 26.07   52.14    0.246    7.94    4        2.5        0.1
   55   4   2   0 26.109  52.217   0.246    7.91    4       16.6        4.9
   56   1   4  -1 26.367  52.734   0.248    7.73    4        3.2        0.2
   57   1   2   2 26.38   52.76    0.248    7.72    4        4.2        0.3
   58   0   4   1 26.405  52.811   0.249    7.71    4       91.3      143.2
   59   4   0  -2 26.425  52.849   0.249    7.69    2       99.4       84.9
   60   2   4   0 26.867  53.734   0.253    7.41    4        5.5        0.5
   61   2   0   2 26.885  53.769   0.253    7.4     2       74.5       45.8
   62   4   1  -2 27.164  54.329   0.255    7.23    4        4.3        0.3
   63   1   3  -2 27.218  54.435   0.256    7.19    4       49.4       39.2
   64   2   1   2 27.616  55.231   0.259    6.96    4        1.6        0.0
   65   2   4  -1 27.675  55.35    0.26     6.93    4       37.6       21.9
   66   1   4   1 27.787  55.574   0.261    6.86    4        7.8        0.9
   67   2   3  -2 27.807  55.615   0.261    6.85    4        2.5        0.1
   68   5   0  -1 27.905  55.81    0.262    6.8     2        1.8        0.0
   69   0   3   2 27.956  55.912   0.262    6.77    4        5.6        0.5
   70   5   1  -1 28.619  57.237   0.268    6.42    4       27.0       10.4
   71   4   1   1 28.946  57.893   0.271    6.26    4        0.2        0.0
   72   4   3  -1 29.132  58.265   0.272    6.17    4        2.3        0.1
   73   4   2  -2 29.307  58.614   0.274    6.08    4       27.8       10.5
   74   3   3   1 29.385  58.769   0.274    6.05    4       33.5       15.1
   75   3   3  -2 29.673  59.346   0.277    5.92    4       15.9        3.3
   76   4   3   0 29.708  59.417   0.277    5.9     4        0.7        0.0
   77   2   2   2 29.737  59.474   0.277    5.89    4       32.3       13.7
   78   5   1   0 29.872  59.744   0.278    5.83    4       58.1       43.9
   79   1   3   2 29.958  59.916   0.279    5.79    4       39.3       19.9
   80   3   4   0 30.117  60.234   0.28     5.72    4        2.7        0.1
   81   3   4  -1 30.212  60.424   0.281    5.68    4        1.5        0.0
   82   2   4   1 30.388  60.777   0.283    5.61    4       22.3        6.2
   83   0   5   0 30.638  61.275   0.285    5.51    2       17.0        1.8
   84   5   2  -1 30.695  61.391   0.285    5.49    4        6.3        0.5
   85   1   0  -3 30.885  61.771   0.287    5.41    2        6.8        0.3
   86   4   2   1 31.01   62.019   0.288    5.36    4       23.4        6.6
   87   1   5   0 31.255  62.51    0.29     5.27    4       89.0       93.1
   88   2   1  -3 31.453  62.907   0.292    5.2     4        7.8        0.7
   89   1   1  -3 31.557  63.114   0.293    5.16    4        7.8        0.7
   90   5   1  -2 31.558  63.116   0.293    5.16    4       29.5       10.0
   91   5   2   0 31.899  63.798   0.295    5.04    4        1.0        0.0
   92   3   0  -3 31.903  63.806   0.295    5.04    2        5.6        0.2
   93   1   4  -2 32.069  64.139   0.297    4.98    4        5.0        0.3
   94   3   1   2 32.107  64.214   0.297    4.97    4       33.9       12.7
   95   3   1  -3 32.563  65.126   0.301    4.82    4       64.9       45.3
   96   2   4  -2 32.604  65.208   0.301    4.81    4       13.7        2.0
   97   1   5  -1 32.629  65.258   0.301    4.8     4       28.5        8.7
   98   0   5   1 32.663  65.325   0.302    4.79    4        1.9        0.0
   99   4   3  -2 32.68   65.359   0.302    4.78    4        6.9        0.5
  100   0   4   2 32.739  65.479   0.302    4.76    4       64.1       43.7
  101   0   1   3 32.867  65.734   0.303    4.73    4        6.6        0.5
  102   2   5   0 33.069  66.137   0.305    4.66    4        3.3        0.1
  103   2   3   2 33.084  66.168   0.305    4.66    4        1.1        0.0
  104   2   2  -3 33.426  66.852   0.308    4.56    4      114.1      132.3
  105   1   2  -3 33.526  67.052   0.309    4.53    4        6.7        0.5
  106   5   2  -2 33.527  67.055   0.309    4.53    4        4.6        0.2
  107   2   5  -1 33.784  67.568   0.311    4.46    4        9.1        0.8
  108   4   4  -1 33.816  67.631   0.311    4.45    4        2.6        0.1
  109   1   5   1 33.884  67.768   0.312    4.43    4        7.1        0.5
  110   5   3  -1 33.989  67.979   0.313    4.4     4      117.0      134.4
  111   3   4   1 34.048  68.096   0.313    4.39    4        4.8        0.2
  112   3   2   2 34.059  68.118   0.313    4.38    4        4.8        0.2
  113   4   3   1 34.287  68.574   0.315    4.32    4        6.3        0.4
  114   3   4  -2 34.314  68.628   0.315    4.32    4        3.7        0.1
  115   4   4   0 34.347  68.694   0.315    4.31    4       76.1       55.7
  116   5   0   1 34.417  68.834   0.316    4.29    2        0.2        0.0
  117   3   2  -3 34.502  69.004   0.317    4.27    4        6.2        0.4
  118   1   4   2 34.577  69.155   0.317    4.25    4        9.1        0.8
  119   1   0   3 34.681  69.361   0.318    4.22    2        6.6        0.2
  120   6   1  -1 34.692  69.385   0.318    4.22    4        2.1        0.0
  121   0   2   3 34.798  69.595   0.319    4.19    4       13.5        1.7
  122   4   1  -3 34.824  69.648   0.319    4.19    4        2.6        0.1
  123   5   1   1 35.053  70.106   0.321    4.13    4       15.3        2.1
  124   5   3   0 35.133  70.266   0.322    4.11    4       30.5        8.6
  125   1   1   3 35.314  70.628   0.323    4.07    4       10.7        1.0
  126   6   0   0 35.805  71.61    0.327    3.96    2       81.3       29.2
  127   3   5   0 35.986  71.972   0.328    3.92    4       72.9       46.5
  128   3   5  -1 36.073  72.146   0.329    3.9     4       13.1        1.5
  129   6   0  -2 36.152  72.304   0.33     3.89    2      100.9       44.1
  130   2   5   1 36.234  72.468   0.33     3.87    4        1.8        0.0
  131   6   1   0 36.43   72.86    0.332    3.83    4        5.3        0.2
  132   6   2  -1 36.578  73.156   0.333    3.8     4       48.0       19.5
  133   2   3  -3 36.594  73.188   0.333    3.8     4        4.4        0.2
  134   1   3  -3 36.69   73.38    0.334    3.78    4      115.2      111.9
  135   5   3  -2 36.691  73.383   0.334    3.78    4       26.3        5.8
  136   4   2  -3 36.707  73.413   0.334    3.78    4       29.1        7.1
  137   6   1  -2 36.774  73.549   0.335    3.76    4        0.2        0.0
  138   4   0   2 36.795  73.59    0.335    3.76    2      113.3       53.8
  139   5   2   1 36.931  73.861   0.336    3.73    4        6.6        0.4
  140   4   4  -2 37.123  74.247   0.337    3.7     4       14.8        1.8
  141   1   2   3 37.187  74.373   0.338    3.69    4        1.9        0.0
  142   3   3   2 37.203  74.407   0.338    3.68    4        8.5        0.6
  143   4   1   2 37.413  74.827   0.34     3.64    4        2.0        0.0
  144   2   4   2 37.506  75.011   0.34     3.63    4       33.4        9.0
  145   5   0  -3 37.533  75.066   0.341    3.62    2        1.6        0.0
  146   3   3  -3 37.63   75.261   0.341    3.61    4       27.2        6.0
  147   0   6   0 37.7    75.4     0.342    3.59    2      101.6       41.4
  148   1   5  -2 37.785  75.569   0.342    3.58    4        9.6        0.7
  149   0   3   3 37.916  75.832   0.344    3.56    4        3.6        0.1
  150   5   1  -3 38.148  76.295   0.345    3.52    4       30.9        7.5
  151   1   6   0 38.261  76.523   0.346    3.5     4        2.8        0.1
  152   6   2   0 38.281  76.563   0.346    3.5     4       16.2        2.1
  153   2   5  -2 38.283  76.565   0.346    3.5     4        7.3        0.4
  154   5   4  -1 38.366  76.731   0.347    3.49    4        8.0        0.5
  155   0   5   2 38.409  76.818   0.347    3.48    4       17.3        2.3
  156   6   2  -2 38.62   77.24    0.349    3.45    4       42.6       14.0
  157   4   4   1 38.649  77.299   0.349    3.44    4       25.5        5.0
  158   2   1   3 38.81   77.62    0.35     3.42    4        1.8        0.0
  159   4   2   2 39.249  78.497   0.354    3.35    4       51.7       20.0
  160   4   5  -1 39.419  78.838   0.355    3.33    4       11.2        0.9
  161   5   4   0 39.459  78.917   0.355    3.33    4        3.2        0.1
  162   1   6  -1 39.524  79.047   0.356    3.32    4        1.5        0.0
  163   0   6   1 39.555  79.11    0.356    3.31    4       36.3        9.7
  164   3   5   1 39.638  79.276   0.357    3.3     4       23.6        4.1
  165   6   3  -1 39.644  79.287   0.357    3.3     4        2.9        0.1
  166   4   3  -3 39.769  79.538   0.358    3.28    4        3.0        0.1
  167   3   5  -2 39.89   79.779   0.358    3.27    4      115.3       96.9
  168   4   5   0 39.921  79.841   0.359    3.26    4        6.8        0.3
  169   2   6   0 39.931  79.862   0.359    3.26    4       24.2        4.3
  170   5   2  -3 39.972  79.945   0.359    3.26    4        5.6        0.2
  171   5   3   1 39.987  79.975   0.359    3.26    4      142.0      146.4
  172   1   5   2 40.139  80.278   0.36     3.24    4       57.6       24.0
  173   1   3   3 40.237  80.474   0.361    3.23    4       17.3        2.2
  174   2   6  -1 40.598  81.196   0.364    3.18    4       13.7        1.3
  175   2   2   3 40.627  81.253   0.364    3.18    4       81.9       47.6
  176   1   6   1 40.691  81.383   0.364    3.17    4        4.1        0.1
  177   7   0  -1 40.809  81.618   0.365    3.16    2        0.4        0.0
  178   2   4  -3 40.866  81.732   0.366    3.15    4       50.0       17.5
  179   1   4  -3 40.959  81.918   0.366    3.14    4        8.5        0.5
  180   5   4  -2 40.96   81.921   0.366    3.14    4        1.2        0.0
  181   6   3   0 41.309  82.617   0.369    3.11    4        7.5        0.4
  182   7   1  -1 41.41   82.82    0.37     3.1     4       26.6        4.9
  183   3   4   2 41.456  82.913   0.37     3.09    4        7.0        0.3
  184   6   3  -2 41.641  83.282   0.371    3.07    4        7.7        0.4
  185   6   1   1 41.812  83.625   0.373    3.06    4        4.9        0.2
  186   3   4  -3 41.871  83.743   0.373    3.05    4        4.7        0.2
  187   0   4   3 42.149  84.299   0.375    3.02    4       35.2        8.4
  188   4   3   2 42.259  84.518   0.376    3.01    4        5.6        0.2
  189   6   1  -3 42.475  84.95    0.377    3.0     4        3.9        0.1
  190   4   5  -2 42.576  85.152   0.378    2.99    4        2.3        0.0
  191   3   6   0 42.679  85.357   0.379    2.98    4        2.7        0.0
  192   3   0   3 42.71   85.421   0.379    2.98    2        9.7        0.3
  193   3   6  -1 42.761  85.523   0.38     2.97    4        1.4        0.0
  194   7   1  -2 42.815  85.631   0.38     2.97    4      102.1       69.0
  195   2   0  -4 42.866  85.732   0.38     2.96    2       10.6        0.4
  196   2   6   1 42.915  85.831   0.381    2.96    4        6.8        0.3
  197   2   5   2 42.946  85.892   0.381    2.96    4        0.1        0.0
  198   5   3  -3 42.972  85.945   0.381    2.96    4       72.2       34.4
  199   7   2  -1 43.204  86.407   0.383    2.94    4        3.9        0.1
  200   3   1   3 43.307  86.614   0.383    2.93    4       29.3        5.6
  201   2   1  -4 43.462  86.925   0.385    2.92    4        0.9        0.0
  202   5   1   2 43.554  87.109   0.385    2.91    4       33.9        7.5
  203   6   2   1 43.604  87.208   0.386    2.91    4       72.2       33.8
  204   2   3   3 43.619  87.238   0.386    2.91    4        3.1        0.1
  205   7   1   0 43.638  87.276   0.386    2.91    4       45.5       13.4
  206   5   5  -1 43.781  87.562   0.387    2.9     4       16.0        1.7
  207   6   4  -1 43.841  87.682   0.387    2.89    4        8.5        0.5
  208   3   1  -4 43.885  87.769   0.388    2.89    4       85.6       47.3
  209   4   4  -3 43.964  87.928   0.388    2.89    4       23.2        3.5
  210   4   5   1 44.058  88.115   0.389    2.88    4        3.3        0.1
  211   1   1  -4 44.131  88.261   0.389    2.88    4       46.4       13.8
  212   5   4   1 44.179  88.358   0.39     2.87    4       10.2        0.7
  213   6   2  -3 44.264  88.527   0.39     2.87    4       11.2        0.8
  214   1   6  -2 44.408  88.815   0.391    2.86    4        8.8        0.5
  215   1   4   3 44.425  88.85    0.391    2.86    4        1.9        0.0
  216   7   2  -2 44.603  89.206   0.393    2.85    4        4.8        0.1
  217   4   0  -4 44.801  89.602   0.394    2.84    2       65.2       13.5
  218   5   5   0 44.85   89.7     0.394    2.84    4        9.4        0.6
  219   2   6  -2 44.891  89.782   0.395    2.83    4       62.6       24.8


  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   8.109  16.217  6.34143       30.6      3.5      3.5     5.6
    2   1   0  -1  10.146  20.293  5.07749       10.5      1.2      1.2     5.6
    3   0   2   0  11.762  23.523  4.388        112.6     12.8     13.0     5.6
    4   0   2   1  15.689  31.377  3.3078        62.8      7.2      7.2     5.6
    5   2   2   0  16.386  32.771  3.17072      136.1     15.5     15.5     5.6
    6   2   2  -1  17.564  35.127  2.96408      877.2    100.0    100.0     5.7
    7   3   1   0  18.045  36.09   2.88757      315.3     35.9     35.9     5.7
    8   3   1  -1  18.184  36.369  2.86616      230.4     26.3     26.2     5.7
    9   2   0  -2  20.63   41.259  2.53875       16.1      1.8      1.8     5.7
   10   1   3  -1  20.664  41.327  2.53474      204.2     23.3     23.1     5.7
   11   0   0   2  20.815  41.63   2.51709      354.0     40.4     40.1     5.7
   12   2   2   1  21.239  42.479  2.46907      338.6     38.6     38.3     5.7
   13   3   1   1  23.394  46.788  2.25273      112.3     12.8     12.7     5.7
   14   1   1   2  24.064  48.127  2.19365      111.4     12.7     12.5     5.7
   15   0   2   2  24.184  48.368  2.18337       66.2      7.6      7.4     5.7
   16   3   3   0  25.034  50.067  2.11381       57.6      6.6      6.5     5.7
   17   3   3  -1  25.141  50.282  2.10537      142.9     16.3     16.0     5.8
   18   4   2  -1  25.48   50.959  2.07923       71.4      8.1      8.0     5.8
   19   0   4   1  26.405  52.811  2.01129      228.1     26.0     25.5     5.8
   20   2   0   2  26.885  53.769  1.97804       45.8      5.2      5.1     5.8
   21   1   3  -2  27.218  54.435  1.95565       39.2      4.5      4.4     5.8
   22   2   4  -1  27.675  55.35   1.92583       21.9      2.5      2.4     5.8
   23   5   1  -1  28.619  57.237  1.86744       10.4      1.2      1.2     5.8
   24   4   2  -2  29.307  58.614  1.82735       10.5      1.2      1.2     5.8
   25   3   3   1  29.385  58.769  1.82294       15.1      1.7      1.7     5.8
   26   2   2   2  29.737  59.474  1.80329       13.7      1.6      1.5     5.8
   27   5   1   0  29.872  59.744  1.79587       43.9      5.0      4.9     5.8
   28   1   3   2  29.958  59.916  1.7912        19.9      2.3      2.2     5.8
   29   1   5   0  31.255  62.51   1.72393       93.1     10.6     10.3     5.8
   30   5   1  -2  31.558  63.116  1.70906       10.0      1.1      1.1     5.9
   31   3   1   2  32.107  64.214  1.6829        12.7      1.4      1.4     5.9
   32   3   1  -3  32.563  65.126  1.66187       45.3      5.2      5.0     5.9
   33   1   5  -1  32.629  65.258  1.65888       10.7      1.2      1.2     5.9
   34   0   4   2  32.739  65.479  1.6539        43.7      5.0      4.8     5.9
   35   2   2  -3  33.426  66.852  1.62376      132.3     15.1     14.5     5.9
   36   5   3  -1  33.989  67.979  1.6          134.4     15.3     14.7     5.9
   37   4   4   0  34.347  68.694  1.58536       55.7      6.3      6.1     5.9
   38   6   0   0  35.805  71.61   1.52891       29.2      3.3      3.2     5.9
   39   3   5   0  35.986  71.972  1.52225       46.5      5.3      5.0     5.9
   40   6   0  -2  36.152  72.304  1.51622       44.1      5.0      4.8     5.9
   41   6   2  -1  36.578  73.156  1.50098       19.7      2.2      2.1     6.0
   42   1   3  -3  36.69   73.38   1.49703      124.8     14.2     13.5     6.0
   43   4   0   2  36.795  73.59   1.49338       53.8      6.1      5.8     6.0
   44   2   4   2  37.506  75.011  1.46912        9.0      1.0      1.0     6.0
   45   0   6   0  37.7    75.4    1.46267       41.4      4.7      4.5     6.0
   46   6   2  -2  38.62   77.24   1.43308       18.9      2.2      2.0     6.0
   47   4   2   2  39.249  78.497  1.41375       20.0      2.3      2.1     6.0
   48   0   6   1  39.555  79.11   1.40458        9.7      1.1      1.0     6.0
   49   3   5  -2  39.89   79.779  1.39474       96.9     11.1     10.4     6.0
   50   5   3   1  39.987  79.975  1.3919       146.4     16.7     15.6     6.0
   51   1   5   2  40.139  80.278  1.38752       24.0      2.7      2.6     6.0
   52   2   2   3  40.627  81.253  1.37371       48.9      5.6      5.2     6.1
   53   2   4  -3  40.866  81.732  1.36707       17.5      2.0      1.9     6.1
   54   7   1  -2  42.815  85.631  1.31608       69.0      7.9      7.3     6.1
   55   5   3  -3  42.972  85.945  1.3122        34.4      3.9      3.6     6.1
   56   6   2   1  43.604  87.208  1.29694       33.9      3.9      3.6     6.2
   57   7   1   0  43.638  87.276  1.29613       13.4      1.5      1.4     6.2
   58   3   1  -4  43.885  87.769  1.29032       47.3      5.4      4.9     6.2
   59   1   1  -4  44.131  88.261  1.28459       13.8      1.6      1.4     6.2
   60   4   0  -4  44.801  89.602  1.26937       13.5      1.5      1.4     6.2
   61   2   6  -2  44.891  89.782  1.26737       24.8      2.8      2.6     6.2

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