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       ***
                  ***********************
ANORTHITE

6, f-feldspar, sf-plagioclase, DF

CaAl(2)Si(2)O(8)


Monoclinic  P 2(1)  Z = 2

R =0.12

18 .2 .1993

Ref.Str.:

         Takeuchi Y., Haga N., Ito J. (1973)

         * Z. Kristallogr., Bd. 137, 380-398

Reserv:

         D.T.N.

                   Initial data from BDM-file 

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

             a =   8.228    alpha =   90.0 
             b =   8.621    beta  =   90.0 
             c =   4.827    gamma =   90.0 

    Unit cell volume (cub. angs.) =   342.4 

    Molar volume ( cub.cm/mol.) =   103.12

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

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

   1 0.747   0.4738  0.8642   0.48   Ca    = 0.4 , Ca    = 0.0 
   2 0.2498  0.0     0.344    1.42   Ca    = 0.56, Ca    = 0.0 
   3 0.9503  0.1498  0.8945   0.25   Si    = 1.00
   4 0.065   0.336   0.3976   0.7    Al    = 1.00
   5 0.4454  0.3276  0.3952   0.45   Si    = 1.00
   6 0.5676  0.1373  0.8941   0.62   Al    = 1.00
   7 0.0609  0.1819  0.1737   1.05   O     = 1.00
   8 0.038   0.0021  0.7381   0.88   O     = 1.00
   9 0.7614  0.1378  0.0021   1.47   O     = 1.00
  10 0.954   0.2974  0.6863   0.5    O     = 1.00
  11 0.5619  0.293   0.6604   0.6    O     = 1.00
  12 0.5254  0.4807  0.2486   1.3    O     = 1.00
  13 0.2664  0.3714  0.4789   0.81   O     = 1.00
  14 0.4408  0.1762  0.1895   1.11   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.747      0.4738     0.8642
     2       2     0.2498     0.0        0.344 
     3       3     0.9503     0.1498     0.8945
     4       4     0.065      0.336      0.3976
     5       5     0.4454     0.3276     0.3952
     6       6     0.5676     0.1373     0.8941
     7       7     0.0609     0.1819     0.1737
     8       8     0.038      0.0021     0.7381
     9       9     0.7614     0.1378     0.0021
    10      10     0.954      0.2974     0.6863
    11      11     0.5619     0.293      0.6604
    12      12     0.5254     0.4807     0.2486
    13      13     0.2664     0.3714     0.4789
    14      14     0.4408     0.1762     0.1895
    15       1     0.253      0.9738     0.1358
    16       2     0.7502     0.5        0.656 
    17       3     0.0497     0.6498     0.1055
    18       4     0.935      0.836      0.6024
    19       5     0.5546     0.8276     0.6048
    20       6     0.4324     0.6373     0.1059
    21       7     0.9391     0.6819     0.8263
    22       8     0.962      0.5021     0.2619
    23       9     0.2386     0.6378     0.9979
    24      10     0.046      0.7974     0.3137
    25      11     0.4381     0.793      0.3396
    26      12     0.4746     0.9807     0.7514
    27      13     0.7336     0.8714     0.5211
    28      14     0.5592     0.6762     0.8105


X-ray density (g/cm cub.)   =      2.68

MU (1/cm) =     133.589    Mass attenuation coefficient (cm**2/g) =     49.758

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

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

    1   Ca   ,Ca             2.88         6
                                                 2.4395      10
                                                 2.391       11
                                                 2.6021      12
                                                 2.398        7
                                                 2.6219       8
                                                 2.3451      14
    2   Ca   ,Ca             2.88         6
                                                 2.356        7
                                                 2.5799       8
                                                 2.3094      14
                                                 2.4257      10
                                                 2.3634      11
                                                 2.7048      12
    3    Si                  2.1          4
                                                 1.6495       7
                                                 1.6468       8
                                                 1.642        9
                                                 1.6217      10
    4    Al                  2.316        4
                                                 1.7129       7
                                                 1.6991      10
                                                 1.7301      13
                                                 1.7882       8
    5    Si                  2.1          4
                                                 1.6268      11
                                                 1.6359      12
                                                 1.5732      13
                                                 1.6404      14
    6    Al                  2.316        4
                                                 1.6776       9
                                                 1.754       11
                                                 1.7984      14
                                                 1.6978      12
    7    O                   3.264        8
                                                 3.1401       8
                                                 2.619        8
                                                 2.6274       9
                                                 2.8084      10
                                                 2.7019      10
                                                 2.7746      13
                                                 3.1271      14
                                                 2.9092       8
    8    O                   3.264        7
                                                 2.619        7
                                                 3.1401       7
                                                 2.8587       9
                                                 2.6498      10
                                                 2.9092       7
                                                 2.7047      10
                                                 2.9394      13
    9    O                   3.264        6
                                                 2.6274       7
                                                 2.8587       8
                                                 2.5939      10
                                                 2.6842      11
                                                 2.8083      14
                                                 2.9778      12
   10    O                   3.264        7
                                                 2.7019       7
                                                 2.8084       7
                                                 2.6498       8
                                                 2.5939       9
                                                 3.2288      11
                                                 2.8313      13
                                                 2.7047       8
   11    O                   3.264        7
                                                 2.6842       9
                                                 3.2288      10
                                                 2.5807      12
                                                 2.6713      13
                                                 2.9205      14
                                                 2.6783      14
                                                 2.8209      12
   12    O                   3.264        7
                                                 2.5807      11
                                                 2.5817      13
                                                 2.7308      14
                                                 2.9778       9
                                                 2.8209      11
                                                 3.2054      14
                                                 2.7184      14
   13    O                   3.264        6
                                                 2.7746       7
                                                 2.8313      10
                                                 2.6713      11
                                                 2.5817      12
                                                 2.6158      14
                                                 2.9394       8
   14    O                   3.264        8
                                                 3.1271       7
                                                 2.8083       9
                                                 2.6783      11
                                                 2.9205      11
                                                 2.7308      12
                                                 2.6158      13
                                                 3.2054      12
                                                 2.7184      12

  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  5.372  10.743   0.061  225.23    2        0.1        0.0
    2   1   1   0  7.436  14.871   0.084  116.47    4        8.6       29.6
    3   0   0   1  9.182  18.365   0.104   75.61    2        4.2        2.3
    4   0   2   0 10.294  20.588   0.116   59.72    2       19.3       37.8
    5   0   1   1 10.538  21.076   0.119   56.89    4       16.0       49.7
    6   1   0  -1 10.662  21.324   0.12    55.53    2       67.0      425.1
    7   1   0   1 10.662  21.324   0.12    55.53    2       51.8      254.0
    8   2   0   0 10.791  21.583   0.122   54.15    2       73.6      499.9
    9   1   2   0 11.638  23.277   0.131   46.26    4        7.1        8.0
   10   1   1  -1 11.856  23.712   0.133   44.5     4       27.2      112.4
   11   1   1   1 11.856  23.712   0.133   44.5     4       40.9      254.1
   12   2   1   0 11.974  23.947   0.135   43.59    4        3.2        1.5
   13   0   2   1 13.862  27.723   0.156   32.01    4       96.7     1021.5
   14   2   0  -1 14.242  28.483   0.16    30.22    2        5.6        1.6
   15   2   0   1 14.242  28.483   0.16    30.22    2        4.2        0.9
   16   1   2  -1 14.905  29.81    0.167   27.42    4        7.9        5.9
   17   1   2   1 14.905  29.81    0.167   27.42    4        8.9        7.4
   18   2   2   0 15.0    30.001   0.168   27.04    4       54.7      275.8
   19   2   1  -1 15.173  30.346   0.17    26.39    4       52.4      246.8
   20   2   1   1 15.173  30.346   0.17    26.39    4       52.7      250.0
   21   3   0   0 16.311  32.622   0.182   22.58    2        5.5        1.2
   22   1   3   0 16.495  32.989   0.184   22.04    4       62.8      296.2
   23   3   1   0 17.141  34.282   0.191   20.27    4       25.2       44.0
   24   2   2  -1 17.702  35.404   0.197   18.9     4       29.1       54.5
   25   2   2   1 17.702  35.404   0.197   18.9     4       36.2       84.3
   26   0   3   1 18.177  36.354   0.202   17.83    4       11.0        7.3
   27   0   0   2 18.612  37.224   0.207   16.93    2       14.8        6.3
   28   3   0  -1 18.846  37.691   0.21    16.47    2       41.3       48.0
   29   3   0   1 18.846  37.691   0.21    16.47    2       37.3       39.1
   30   1   3  -1 19.008  38.016   0.211   16.16    4       21.8       26.3
   31   1   3   1 19.008  38.016   0.211   16.16    4       24.5       33.0
   32   2   3   0 19.085  38.169   0.212   16.02    4        3.4        0.6
   33   0   1   2 19.355  38.711   0.215   15.52    4       32.1       54.5
   34   1   0  -2 19.427  38.854   0.216   15.4     2        6.6        1.1
   35   1   0   2 19.427  38.854   0.216   15.4     2        4.6        0.6
   36   3   2   0 19.444  38.888   0.216   15.37    4        4.0        0.8
   37   3   1  -1 19.582  39.163   0.218   15.13    4        3.6        0.7
   38   3   1   1 19.582  39.163   0.218   15.13    4       21.3       23.4
   39   1   1  -2 20.145  40.29    0.224   14.21    4       32.4       50.9
   40   1   1   2 20.145  40.29    0.224   14.21    4       29.3       41.7
   41   0   4   0 20.94   41.881   0.232   13.03    2       21.1        9.9
   42   2   3  -1 21.335  42.671   0.236   12.49    4       28.1       33.7
   43   2   3   1 21.335  42.671   0.236   12.49    4       31.0       40.9
   44   0   2   2 21.455  42.911   0.237   12.34    4       17.2       12.4
   45   3   2  -1 21.663  43.327   0.24    12.07    4       71.0      207.9
   46   3   2   1 21.663  43.327   0.24    12.07    4       62.6      161.2
   47   1   4   0 21.682  43.364   0.24    12.05    4        3.2        0.4
   48   2   0  -2 21.717  43.434   0.24    12.01    2       31.9       20.8
   49   2   0   2 21.717  43.434   0.24    12.01    2       34.3       24.1
   50   4   0   0 21.991  43.983   0.243   11.67    2       66.1       87.0
   51   1   2  -2 22.183  44.366   0.245   11.45    4       30.2       35.5
   52   1   2   2 22.183  44.366   0.245   11.45    4       25.8       26.0
   53   2   1  -2 22.374  44.749   0.247   11.23    4       16.5       10.4
   54   2   1   2 22.374  44.749   0.247   11.23    4       17.9       12.3
   55   4   1   0 22.642  45.285   0.25    10.93    4        4.4        0.7
   56   3   3   0 22.845  45.689   0.252   10.71    4        5.8        1.2
   57   0   4   1 23.042  46.084   0.254   10.51    4       61.8      136.7
   58   1   4  -1 23.731  47.462   0.261    9.83    4        6.1        1.3
   59   1   4   1 23.731  47.462   0.261    9.83    4        2.6        0.2
   60   2   4   0 23.795  47.591   0.262    9.77    4       24.9       20.7
   61   4   0  -1 24.02   48.04    0.264    9.56    2        2.9        0.1
   62   4   0   1 24.02   48.04    0.264    9.56    2        0.5        0.0
   63   2   2  -2 24.262  48.524   0.267    9.35    4        5.3        0.9
   64   2   2   2 24.262  48.524   0.267    9.35    4        4.1        0.5
   65   4   2   0 24.514  49.029   0.269    9.13    4       26.3       21.5
   66   4   1  -1 24.629  49.258   0.271    9.03    4        0.9        0.0
   67   4   1   1 24.629  49.258   0.271    9.03    4       11.7        4.2
   68   0   3   2 24.632  49.263   0.271    9.03    4       31.9       31.3
   69   3   3  -1 24.819  49.638   0.272    8.88    4        4.5        0.6
   70   3   3   1 24.819  49.638   0.272    8.88    4        4.9        0.7
   71   3   0  -2 25.159  50.318   0.276    8.61    2        5.1        0.4
   72   3   0   2 25.159  50.318   0.276    8.61    2        4.0        0.2
   73   1   3  -2 25.288  50.576   0.277    8.51    4       11.1        3.6
   74   1   3   2 25.288  50.576   0.277    8.51    4       20.0       11.6
   75   2   4  -1 25.714  51.428   0.282    8.19    4       34.2       32.6
   76   2   4   1 25.714  51.428   0.282    8.19    4       27.1       20.5
   77   3   1  -2 25.748  51.497   0.282    8.16    4        4.9        0.7
   78   3   1   2 25.748  51.497   0.282    8.16    4        9.5        2.5
   79   4   2  -1 26.395  52.789   0.289    7.71    4       15.0        5.9
   80   4   2   1 26.395  52.789   0.289    7.71    4       20.1       10.7
   81   3   4   0 27.036  54.071   0.295    7.3     4        3.7        0.3
   82   1   5   0 27.158  54.317   0.296    7.23    4       36.2       32.4
   83   2   3  -2 27.188  54.376   0.297    7.21    4       10.9        2.9
   84   2   3   2 27.188  54.376   0.297    7.21    4       12.9        4.1
   85   4   3   0 27.42   54.841   0.299    7.07    4        9.7        2.3
   86   3   2  -2 27.462  54.924   0.299    7.05    4       64.9      101.2
   87   3   2   2 27.462  54.924   0.299    7.05    4       67.7      110.2
   88   5   0   0 27.91   55.82    0.304    6.79    2        2.7        0.1
   89   0   5   1 28.32   56.639   0.308    6.57    4       21.2       10.1
   90   5   1   0 28.459  56.919   0.309    6.5     4        2.2        0.1
   91   0   0   3 28.603  57.205   0.311    6.43    2        5.0        0.3
   92   0   4   2 28.63   57.261   0.311    6.41    4       45.0       44.4
   93   3   4  -1 28.799  57.598   0.313    6.33    4       43.0       39.9
   94   3   4   1 28.799  57.598   0.313    6.33    4       44.6       43.0
   95   1   5  -1 28.917  57.834   0.314    6.27    4       23.8       12.1
   96   1   5   1 28.917  57.834   0.314    6.27    4       21.5        9.9
   97   2   5   0 28.973  57.946   0.314    6.24    4        3.0        0.2
   98   0   1   3 29.144  58.287   0.316    6.16    4       14.5        4.4
   99   4   3  -1 29.169  58.337   0.316    6.15    4       10.2        2.2
  100   4   3   1 29.169  58.337   0.316    6.15    4        4.0        0.3
  101   1   0  -3 29.196  58.392   0.317    6.14    2       31.7       10.6
  102   1   0   3 29.196  58.392   0.317    6.14    2       30.6        9.8
  103   1   4  -2 29.224  58.447   0.317    6.12    4       36.9       28.5
  104   1   4   2 29.224  58.447   0.317    6.12    4       19.8        8.2
  105   4   0  -2 29.474  58.947   0.319    6.01    2        1.6        0.0
  106   4   0   2 29.474  58.947   0.319    6.01    2        8.9        0.8
  107   5   0  -1 29.639  59.279   0.321    5.93    2       77.4       60.6
  108   5   0   1 29.639  59.279   0.321    5.93    2       52.3       27.6
  109   1   1  -3 29.73   59.46    0.322    5.89    4       13.3        3.5
  110   1   1   3 29.73   59.46    0.322    5.89    4        9.0        1.6
  111   4   1  -2 30.005  60.009   0.325    5.77    4        9.3        1.7
  112   4   1   2 30.005  60.009   0.325    5.77    4        3.7        0.3
  113   5   2   0 30.069  60.137   0.325    5.74    4       17.5        6.0
  114   5   1  -1 30.169  60.337   0.326    5.7     4       26.8       13.9
  115   5   1   1 30.169  60.337   0.326    5.7     4       46.1       41.4
  116   3   3  -2 30.171  60.342   0.326    5.7     4        4.7        0.4
  117   3   3   2 30.171  60.342   0.326    5.7     4       24.9       12.1
  118   2   5  -1 30.664  61.328   0.331    5.5     4       11.9        2.7
  119   2   5   1 30.664  61.328   0.331    5.5     4       16.7        5.2
  120   0   2   3 30.73   61.46    0.332    5.47    4       23.7       10.5
  121   2   0  -3 30.934  61.867   0.334    5.39    2        3.2        0.1
  122   2   0   3 30.934  61.867   0.334    5.39    2        1.0        0.0
  123   2   4  -2 30.96   61.92    0.334    5.38    4        6.5        0.8
  124   2   4   2 30.96   61.92    0.334    5.38    4       10.9        2.2
  125   4   4   0 31.175  62.349   0.336    5.3     4       14.1        3.6
  126   1   2  -3 31.299  62.598   0.337    5.25    4        8.9        1.4
  127   1   2   3 31.299  62.598   0.337    5.25    4        4.4        0.3
  128   2   1  -3 31.45   62.9     0.339    5.2     4       15.9        4.5
  129   2   1   3 31.45   62.9     0.339    5.2     4       18.8        6.3
  130   4   2  -2 31.565  63.13    0.34     5.16    4       18.8        6.2
  131   4   2   2 31.565  63.13    0.34     5.16    4        9.0        1.4
  132   5   2  -1 31.724  63.449   0.341    5.1     4       27.5       13.2
  133   5   2   1 31.724  63.449   0.341    5.1     4       23.1        9.3
  134   3   5   0 31.85   63.699   0.343    5.06    4        4.5        0.3
  135   0   6   0 32.418  64.836   0.348    4.87    2       98.6       80.7
  136   5   3   0 32.643  65.286   0.35     4.8     4       68.3       76.4
  137   4   4  -1 32.798  65.597   0.352    4.75    4       17.3        4.8
  138   4   4   1 32.798  65.597   0.352    4.75    4        4.4        0.3
  139   1   6   0 32.971  65.941   0.353    4.69    4       13.4        2.9
  140   2   2  -3 32.971  65.943   0.353    4.69    4       40.6       26.4
  141   2   2   3 32.971  65.943   0.353    4.69    4       41.8       28.0
  142   0   3   3 33.276  66.551   0.356    4.6     4       75.5       89.6
  143   0   5   2 33.301  66.602   0.356    4.6     4       43.4       29.6
  144   3   5  -1 33.456  66.912   0.358    4.55    4       30.6       14.5
  145   3   5   1 33.456  66.912   0.358    4.55    4       35.6       19.7
  146   3   0  -3 33.713  67.426   0.36     4.48    2       36.5       10.2
  147   3   0   3 33.713  67.426   0.36     4.48    2       45.0       15.5
  148   3   4  -2 33.738  67.477   0.361    4.47    4       51.8       40.9
  149   3   4   2 33.738  67.477   0.361    4.47    4       39.0       23.2
  150   1   3  -3 33.821  67.641   0.361    4.45    4        3.7        0.2
  151   1   3   3 33.821  67.641   0.361    4.45    4       10.3        1.6
  152   1   5  -2 33.846  67.692   0.362    4.44    4        1.5        0.0
  153   1   5   2 33.846  67.692   0.362    4.44    4       13.6        2.8
  154   0   6   1 34.01   68.021   0.363    4.4     4       23.3        8.2
  155   4   3  -2 34.077  68.153   0.364    4.38    4        7.9        0.9
  156   4   3   2 34.077  68.153   0.364    4.38    4        4.7        0.3
  157   6   0   0 34.174  68.347   0.365    4.35    2       69.8       36.2
  158   3   1  -3 34.207  68.413   0.365    4.34    4        7.2        0.8
  159   3   1   3 34.207  68.413   0.365    4.34    4        4.8        0.3
  160   5   3  -1 34.23   68.459   0.365    4.34    4       19.4        5.5
  161   5   3   1 34.23   68.459   0.365    4.34    4       23.5        8.1
  162   5   0  -2 34.509  69.018   0.368    4.27    2        3.2        0.1
  163   5   0   2 34.509  69.018   0.368    4.27    2        2.9        0.1
  164   1   6  -1 34.55   69.1     0.368    4.26    4       31.0       13.9
  165   1   6   1 34.55   69.1     0.368    4.26    4       20.4        6.1
  166   2   6   0 34.601  69.201   0.369    4.24    4       39.7       22.8
  167   6   1   0 34.664  69.328   0.369    4.23    4       15.2        3.3
  168   5   1  -2 34.997  69.995   0.372    4.15    4       24.8        8.7
  169   5   1   2 34.997  69.995   0.372    4.15    4       41.4       24.2
  170   2   3  -3 35.432  70.864   0.376    4.04    4       39.6       21.6
  171   2   3   3 35.432  70.864   0.376    4.04    4       46.2       29.4
  172   2   5  -2 35.457  70.913   0.377    4.04    4       43.5       26.1
  173   2   5   2 35.457  70.913   0.377    4.04    4       39.2       21.2
  174   4   5   0 35.657  71.314   0.378    3.99    4        2.5        0.1
  175   3   2  -3 35.668  71.336   0.378    3.99    4       12.7        2.2
  176   3   2   3 35.668  71.336   0.378    3.99    4       16.8        3.8
  177   6   0  -1 35.727  71.455   0.379    3.98    2        1.5        0.0
  178   6   0   1 35.727  71.455   0.379    3.98    2        0.4        0.0
  179   5   4   0 36.081  72.162   0.382    3.9     4        3.8        0.2
  180   6   2   0 36.117  72.235   0.383    3.89    4        8.2        0.9
  181   2   6  -1 36.146  72.292   0.383    3.89    4       13.4        2.4
  182   2   6   1 36.146  72.292   0.383    3.89    4        6.0        0.5
  183   6   1  -1 36.209  72.417   0.383    3.88    4        2.3        0.1
  184   6   1   1 36.209  72.417   0.383    3.88    4       18.9        4.7
  185   5   2  -2 36.445  72.89    0.386    3.83    4       62.7       51.4
  186   5   2   2 36.445  72.89    0.386    3.83    4       48.4       30.6
  187   0   4   3 36.686  73.371   0.388    3.78    4       40.2       20.9
  188   4   5  -1 37.184  74.368   0.392    3.69    4       14.5        2.6
  189   4   5   1 37.184  74.368   0.392    3.69    4        0.2        0.0
  190   1   4  -3 37.208  74.417   0.393    3.68    4        8.4        0.9
  191   1   4   3 37.208  74.417   0.393    3.68    4        5.9        0.4
  192   3   6   0 37.244  74.487   0.393    3.67    4        5.9        0.4
  193   4   0  -3 37.43   74.86    0.395    3.64    2        6.2        0.2
  194   4   0   3 37.43   74.86    0.395    3.64    2        3.1        0.1
  195   4   4  -2 37.454  74.908   0.395    3.64    4       15.7        3.1
  196   4   4   2 37.454  74.908   0.395    3.64    4       27.4        9.3
  197   5   4  -1 37.601  75.203   0.396    3.61    4       27.9        9.6
  198   5   4   1 37.601  75.203   0.396    3.61    4        5.2        0.3
  199   6   2  -1 37.637  75.275   0.396    3.61    4       30.3       11.3
  200   6   2   1 37.637  75.275   0.396    3.61    4       36.8       16.7
  201   4   1  -3 37.903  75.806   0.399    3.56    4        6.3        0.5
  202   4   1   3 37.903  75.806   0.399    3.56    4       11.9        1.7
  203   3   3  -3 38.051  76.103   0.4      3.54    4       14.0        2.4
  204   3   3   3 38.051  76.103   0.4      3.54    4       15.8        3.0
  205   3   5  -2 38.076  76.151   0.4      3.53    4       14.4        2.5
  206   3   5   2 38.076  76.151   0.4      3.53    4       23.2        6.5
  207   6   3   0 38.49   76.98    0.404    3.47    4        1.8        0.0
  208   0   6   2 38.602  77.204   0.405    3.45    4        6.3        0.5
  209   3   6  -1 38.748  77.495   0.406    3.43    4       25.3        7.5
  210   3   6   1 38.748  77.495   0.406    3.43    4       12.9        2.0
  211   2   4  -3 38.761  77.523   0.406    3.42    4       19.8        4.6
  212   2   4   3 38.761  77.523   0.406    3.42    4       26.7        8.3
  213   5   3  -2 38.811  77.621   0.407    3.42    4        6.1        0.4
  214   5   3   2 38.811  77.621   0.407    3.42    4       29.2       10.0
  215   1   6  -2 39.116  78.232   0.41     3.37    4       12.4        1.8
  216   1   6   2 39.116  78.232   0.41     3.37    4        9.7        1.1
  217   1   7   0 39.228  78.457   0.411    3.36    4       11.9        1.6
  218   4   2  -3 39.31   78.62    0.411    3.35    4       11.2        1.4
  219   4   2   3 39.31   78.62    0.411    3.35    4        4.3        0.2
  220   0   0   4 39.666  79.332   0.414    3.3     2       45.0       11.4
  221   6   3  -1 39.979  79.959   0.417    3.26    4       36.5       14.8
  222   6   3   1 39.979  79.959   0.417    3.26    4       13.9        2.2
  223   0   1   4 40.131  80.261   0.418    3.24    4       39.8       17.5
  224   1   0  -4 40.176  80.352   0.419    3.23    2        1.3        0.0
  225   1   0   4 40.176  80.352   0.419    3.23    2        0.9        0.0
  226   0   7   1 40.202  80.404   0.419    3.23    4       33.5       12.4
  227   6   0  -2 40.244  80.487   0.419    3.22    2        2.5        0.0
  228   6   0   2 40.244  80.487   0.419    3.22    2       19.7        2.1
  229   5   5   0 40.32   80.64    0.42     3.22    4       34.5       13.1
  230   1   1  -4 40.639  81.279   0.423    3.18    4        7.7        0.6
  231   1   1   4 40.639  81.279   0.423    3.18    4        9.6        1.0
  232   2   6  -2 40.647  81.294   0.423    3.18    4        1.2        0.0
  233   2   6   2 40.647  81.294   0.423    3.18    4        5.7        0.3
  234   6   1  -2 40.707  81.414   0.423    3.17    4       21.3        4.9
  235   6   1   2 40.707  81.414   0.423    3.17    4       13.9        2.1
  236   1   7  -1 40.71   81.421   0.423    3.17    4        6.2        0.4
  237   1   7   1 40.71   81.421   0.423    3.17    4       19.7        4.2
  238   2   7   0 40.758  81.517   0.424    3.16    4        3.8        0.2
  239   4   6   0 40.839  81.677   0.424    3.16    4       28.4        8.7
  240   0   5   3 40.905  81.809   0.425    3.15    4        2.9        0.1
  241   7   0   0 40.944  81.888   0.425    3.14    2        4.1        0.1
  242   3   4  -3 41.311  82.622   0.429    3.11    4       25.3        6.8
  243   3   4   3 41.311  82.622   0.429    3.11    4       31.7       10.6
  244   7   1   0 41.405  82.811   0.429    3.1     4       11.5        1.4
  245   1   5  -3 41.411  82.823   0.429    3.1     4        3.3        0.1
  246   1   5   3 41.411  82.823   0.429    3.1     4       11.7        1.4
  247   0   2   4 41.518  83.035   0.43     3.08    4       15.9        2.7
  248   4   3  -3 41.627  83.253   0.431    3.07    4       20.6        4.4
  249   4   3   3 41.627  83.253   0.431    3.07    4       14.5        2.2
  250   4   5  -2 41.65   83.3     0.431    3.07    4        5.2        0.3
  251   4   5   2 41.65   83.3     0.431    3.07    4        8.2        0.7
  252   2   0  -4 41.698  83.396   0.432    3.07    2       24.0        3.0
  253   2   0   4 41.698  83.396   0.432    3.07    2       22.2        2.6
  254   6   4   0 41.741  83.482   0.432    3.06    4       16.0        2.7
  255   5   5  -1 41.793  83.587   0.433    3.06    4       32.0       10.7
  256   5   5   1 41.793  83.587   0.433    3.06    4       41.4       17.9
  257   1   2  -4 42.023  84.046   0.435    3.04    4        5.3        0.3
  258   1   2   4 42.023  84.046   0.435    3.04    4       11.5        1.4
  259   5   0  -3 42.032  84.064   0.435    3.04    2       57.6       17.2
  260   5   0   3 42.032  84.064   0.435    3.04    2       50.0       13.0
  261   5   4  -2 42.055  84.111   0.435    3.03    4       54.6       30.8
  262   5   4   2 42.055  84.111   0.435    3.03    4       46.3       22.2
  263   6   2  -2 42.09   84.18    0.435    3.03    4        7.6        0.6
  264   6   2   2 42.09   84.18    0.435    3.03    4        6.4        0.4
  265   2   1  -4 42.158  84.316   0.436    3.02    4       23.9        5.9
  266   2   1   4 42.158  84.316   0.436    3.02    4       31.2       10.1
  267   2   7  -1 42.228  84.457   0.436    3.02    4       43.7       19.7
  268   2   7   1 42.228  84.457   0.436    3.02    4       40.8       17.1
  269   4   6  -1 42.308  84.617   0.437    3.01    4        8.5        0.8
  270   4   6   1 42.308  84.617   0.437    3.01    4       14.0        2.0
  271   7   0  -1 42.413  84.826   0.438    3.0     2        1.9        0.0
  272   7   0   1 42.413  84.826   0.438    3.0     2        6.5        0.2
  273   5   1  -3 42.491  84.983   0.438    2.99    4        7.3        0.5
  274   5   1   3 42.491  84.983   0.438    2.99    4       13.2        1.8
  275   7   2   0 42.785  85.57    0.441    2.97    4        2.6        0.1
  276   7   1  -1 42.872  85.744   0.442    2.96    4        4.6        0.2
  277   7   1   1 42.872  85.744   0.442    2.96    4       10.0        1.0
  278   2   5  -3 42.925  85.851   0.442    2.96    4       10.9        1.2
  279   2   5   3 42.925  85.851   0.442    2.96    4        7.6        0.6
  280   3   6  -2 43.173  86.346   0.444    2.94    4        2.6        0.1
  281   3   6   2 43.173  86.346   0.444    2.94    4        1.9        0.0
  282   6   4  -1 43.206  86.412   0.444    2.94    4       17.0        2.9
  283   6   4   1 43.206  86.412   0.444    2.94    4       30.3        9.2
  284   3   7   0 43.283  86.567   0.445    2.93    4       47.6       22.7
  285   2   2  -4 43.534  87.068   0.447    2.92    4       34.2       11.6
  286   2   2   4 43.534  87.068   0.447    2.92    4       36.2       13.1
  287   0   3   4 43.813  87.626   0.449    2.9     4        2.6        0.1
  288   5   2  -3 43.866  87.733   0.45     2.89    4        6.0        0.4
  289   5   2   3 43.866  87.733   0.45     2.89    4        1.6        0.0
  290   3   0  -4 44.216  88.432   0.453    2.87    2        4.9        0.1
  291   3   0   4 44.216  88.432   0.453    2.87    2        2.0        0.0
  292   7   2  -1 44.246  88.492   0.453    2.87    4       29.8        8.7
  293   7   2   1 44.246  88.492   0.453    2.87    4       35.6       12.4
  294   1   3  -4 44.315  88.631   0.453    2.87    4       16.6        2.7
  295   1   3   4 44.315  88.631   0.453    2.87    4       18.6        3.4
  296   6   3  -2 44.382  88.764   0.454    2.86    4       18.5        3.4
  297   6   3   2 44.382  88.764   0.454    2.86    4       10.3        1.0
  298   0   7   2 44.601  89.203   0.456    2.85    4       19.7        3.8
  299   3   1  -4 44.673  89.347   0.456    2.85    4       42.6       17.7
  300   3   1   4 44.673  89.347   0.456    2.85    4       39.2       14.9
  301   3   7  -1 44.744  89.487   0.457    2.84    4        2.8        0.1
  302   3   7   1 44.744  89.487   0.457    2.84    4       20.2        4.0
  303   4   4  -3 44.836  89.673   0.458    2.84    4        4.1        0.2
  304   4   4   3 44.836  89.673   0.458    2.84    4       14.7        2.1


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

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

    1   1   1   0   7.436  14.871  5.95216       29.6      2.9      2.9     5.6
    2   0   2   0  10.294  20.588  4.3105        37.8      3.7      3.7     5.6
    3   0   1   1  10.538  21.076  4.21174       49.7      4.9      4.9     5.6
    4   1   0  -1  10.662  21.324  4.16343      679.1     66.5     66.8     5.6
    5   2   0   0  10.791  21.583  4.114        499.9     48.9     49.2     5.6
    6   1   1   1  11.856  23.712  3.74912      366.5     35.9     36.0     5.6
    7   0   2   1  13.862  27.723  3.21514     1021.5    100.0    100.0     5.6
    8   1   2   1  14.905  29.81   2.99463       13.3      1.3      1.3     5.6
    9   2   2   0  15.0    30.001  2.97608      275.8     27.0     26.9     5.6
   10   2   1   1  15.173  30.346  2.94299      496.8     48.6     48.5     5.6
   11   1   3   0  16.495  32.989  2.71296      296.2     29.0     28.9     5.6
   12   3   1   0  17.141  34.282  2.61359       44.0      4.3      4.3     5.7
   13   2   2   1  17.702  35.404  2.53329      138.8     13.6     13.5     5.7
   14   3   0  -1  18.846  37.691  2.38462       87.0      8.5      8.4     5.7
   15   1   3   1  19.008  38.016  2.36502       59.3      5.8      5.8     5.7
   16   0   1   2  19.355  38.711  2.32414       54.5      5.3      5.3     5.7
   17   3   1   1  19.582  39.163  2.29832       23.4      2.3      2.3     5.7
   18   1   1  -2  20.145  40.29   2.23662       92.6      9.1      9.0     5.7
   19   2   3   1  21.335  42.671  2.11715       74.6      7.3      7.2     5.7
   20   0   2   2  21.455  42.911  2.10587       12.4      1.2      1.2     5.7
   21   3   2  -1  21.663  43.327  2.0866       369.6     36.2     35.7     5.7
   22   2   0   2  21.717  43.434  2.08171       44.9      4.4      4.3     5.7
   23   4   0   0  21.991  43.983  2.057         87.0      8.5      8.4     5.7
   24   1   2  -2  22.183  44.366  2.04011       61.5      6.0      5.9     5.7
   25   2   1   2  22.374  44.749  2.02356       22.7      2.2      2.2     5.7
   26   0   4   1  23.042  46.084  1.96799      136.7     13.4     13.2     5.7
   27   2   4   0  23.795  47.591  1.90913       20.7      2.0      2.0     5.7
   28   4   2   0  24.514  49.029  1.85645       21.5      2.1      2.1     5.7
   29   0   3   2  24.632  49.263  1.84815       35.5      3.5      3.4     5.7
   30   1   3   2  25.288  50.576  1.80322       15.2      1.5      1.5     5.8
   31   2   4  -1  25.714  51.428  1.77532       53.1      5.2      5.1     5.8
   32   4   2   1  26.395  52.789  1.73272       16.6      1.6      1.6     5.8
   33   1   5   0  27.158  54.317  1.68755       32.4      3.2      3.1     5.8
   34   3   2   2  27.462  54.924  1.6703       211.3     20.7     20.1     5.8
   35   0   4   2  28.63   57.261  1.60757       44.4      4.3      4.2     5.8
   36   3   4   1  28.799  57.598  1.59895       82.9      8.1      7.9     5.8
   37   1   5  -1  28.917  57.834  1.593         22.0      2.2      2.1     5.8
   38   1   4  -2  29.224  58.447  1.57774       57.0      5.6      5.4     5.8
   39   5   0  -1  29.639  59.279  1.55757       88.3      8.6      8.4     5.8
   40   5   1   1  30.169  60.337  1.53276       67.8      6.6      6.4     5.8
   41   0   2   3  30.73   61.46   1.50741       10.5      1.0      1.0     5.8
   42   2   1   3  31.45   62.9    1.47634       10.8      1.1      1.0     5.9
   43   5   2  -1  31.724  63.449  1.46487       22.5      2.2      2.1     5.9
   44   0   6   0  32.418  64.836  1.43683       80.7      7.9      7.6     5.9
   45   5   3   0  32.643  65.286  1.42803       76.4      7.5      7.2     5.9
   46   2   2   3  32.971  65.943  1.41539       57.3      5.6      5.4     5.9
   47   0   3   3  33.276  66.551  1.40392      119.2     11.7     11.1     5.9
   48   3   5   1  33.456  66.912  1.39722       34.2      3.4      3.2     5.9
   49   3   4   2  33.738  67.477  1.38689       89.6      8.8      8.4     5.9
   50   6   0   0  34.174  68.347  1.37133       36.2      3.5      3.4     5.9
   51   5   3   1  34.23   68.459  1.36936       13.7      1.3      1.3     5.9
   52   1   6  -1  34.55   69.1    1.35823       20.0      2.0      1.9     5.9
   53   2   6   0  34.601  69.201  1.35648       22.8      2.2      2.1     5.9
   54   5   1   2  34.997  69.995  1.34303       32.9      3.2      3.1     5.9
   55   2   5  -2  35.457  70.913  1.32787       98.4      9.6      9.1     5.9
   56   5   2  -2  36.445  72.89   1.29666       81.9      8.0      7.6     6.0
   57   0   4   3  36.686  73.371  1.28933       20.9      2.0      1.9     6.0
   58   4   4   2  37.454  74.908  1.26664       12.4      1.2      1.1     6.0
   59   6   2   1  37.637  75.275  1.26139       28.0      2.7      2.6     6.0
   60   3   5   2  38.076  76.151  1.24903       14.3      1.4      1.3     6.0
   61   2   4   3  38.761  77.523  1.23033       22.3      2.2      2.0     6.0
   62   0   0   4  39.666  79.332  1.20675       11.4      1.1      1.0     6.0
   63   6   3  -1  39.979  79.959  1.19885       16.9      1.7      1.5     6.0
   64   0   1   4  40.131  80.261  1.1951        17.5      1.7      1.6     6.0
   65   0   7   1  40.202  80.404  1.19334       12.4      1.2      1.1     6.0
   66   5   5   0  40.32   80.64   1.19043       13.1      1.3      1.2     6.1
   67   6   1  -2  40.707  81.414  1.18107       11.6      1.1      1.1     6.1
   68   3   4   3  41.311  82.622  1.16683       17.4      1.7      1.6     6.1
   69   5   5   1  41.793  83.587  1.1558        28.6      2.8      2.6     6.1
   70   5   4  -2  42.055  84.111  1.14993       84.5      8.3      7.6     6.1
   71   2   1   4  42.158  84.316  1.14766       15.9      1.6      1.4     6.1
   72   2   7  -1  42.228  84.457  1.1461        36.8      3.6      3.3     6.1
   73   6   4   1  43.206  86.412  1.12512       12.1      1.2      1.1     6.1
   74   3   7   0  43.283  86.567  1.1235        22.7      2.2      2.0     6.1
   75   2   2   4  43.534  87.068  1.11831       24.7      2.4      2.2     6.1
   76   7   2   1  44.246  88.492  1.10397       21.1      2.1      1.9     6.2
   77   3   1  -4  44.673  89.347  1.0956        32.6      3.2      2.9     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)