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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ANAPAITE

2

Ca(2)Fe[PO(4)](2).4H(2)O


Triclinic  P 1(-)  Z = 1

R =0.027          NR =1257

11 .11 .1996

Ref.Str.:

         Catti M., Ferraris G., Ivaldi G. (1979)

         * Bull. Mineral., 102, 314-318

Reserv:

         From Mesel.   N.A.D.

                   Initial data from BDM-file 

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

             a =   6.447    alpha =  101.64
             b =   6.816    beta  =  104.24
             c =   5.898    gamma =   70.76

    Unit cell volume (cub. angs.) =   235.11

    Molar volume ( cub.cm/mol.) =   141.61

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

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

   1 0.0     0.0     0.0      0.53   Fe    = 1.00
   2 0.3428  0.2094  0.7075   0.71   Ca    = 1.00
   3 0.433   0.7181  0.7717   0.42   P     = 1.00
   4 0.6806  0.6255  0.8844   0.5    O     = 1.00
   5 0.3121  0.5514  0.6789   0.89   O     = 1.00
   6 0.3274  0.8745  0.9742   0.49   O     = 1.00
   7 0.4082  0.8467  0.5739   0.83   O     = 1.00
   8 0.0981  0.2196  0.3098   0.65   H(2)O = 1.00
   9 0.9502  0.2351  0.7644   0.8    H(2)O = 1.00
  10 0.978   0.317   0.33     4.1    H     = 1.00
  11 0.177   0.263   0.239    5.7    H     = 1.00
  12 0.863   0.192   0.645    3.0    H     = 1.00
  13 0.86    0.352   0.813    4.7    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.3428     0.2094     0.7075
     3       3     0.433      0.7181     0.7717
     4       4     0.6806     0.6255     0.8844
     5       5     0.3121     0.5514     0.6789
     6       6     0.3274     0.8745     0.9742
     7       7     0.4082     0.8467     0.5739
     8       8     0.0981     0.2196     0.3098
     9       9     0.9502     0.2351     0.7644
    10      10     0.978      0.317      0.33  
    11      11     0.177      0.263      0.239 
    12      12     0.863      0.192      0.645 
    13      13     0.86       0.352      0.813 
    14       2     0.6572     0.7906     0.2925
    15       3     0.567      0.2819     0.2283
    16       4     0.3194     0.3745     0.1156
    17       5     0.6879     0.4486     0.3211
    18       6     0.6726     0.1255     0.0258
    19       7     0.5918     0.1533     0.4261
    20       8     0.9019     0.7804     0.6902
    21       9     0.0498     0.7649     0.2356
    22      10     0.022      0.683      0.67  
    23      11     0.823      0.737      0.761 
    24      12     0.137      0.808      0.355 
    25      13     0.14       0.648      0.187 


X-ray density (g/cm cub.)   =      2.87

MU (1/cm) =     233.383    Mass attenuation coefficient (cm**2/g) =     81.4  

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

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

    1    Fe                  2.76         6
                                                 2.0312       6
                                                 2.2205       8
                                                 2.223        9
                                                 2.0312       6
                                                 2.2205       8
                                                 2.223        9
    2    Ca                  3.048        7
                                                 2.3108       5
                                                 2.3666       7
                                                 2.4837       8
                                                 2.5791       9
                                                 2.461        4
                                                 2.4577       6
                                                 2.4755       7
    3    P                   2.4          4
                                                 1.54         4
                                                 1.5235       5
                                                 1.5602       6
                                                 1.5438       7
    4    O                   3.432        9
                                                 2.5486       5
                                                 2.4555       6
                                                 2.5491       7
                                                 2.7203       9
                                                 3.0408       5
                                                 3.3041       5
                                                 3.3273       6
                                                 2.5975       8
                                                 3.0215       9
    5    O                   3.432       10
                                                 2.5486       4
                                                 2.5306       6
                                                 2.5164       7
                                                 3.217        8
                                                 3.0408       4
                                                 3.3041       4
                                                 3.4079       5
                                                 3.0501       7
                                                 2.5998       8
                                                 3.0906       9
    6    O                   3.432       10
                                                 2.4555       4
                                                 2.5306       5
                                                 2.4982       7
                                                 2.9842       8
                                                 3.0485       9
                                                 3.3273       4
                                                 3.1525       6
                                                 3.3877       7
                                                 3.0344       8
                                                 2.9734       9
    7    O                   3.432        9
                                                 2.5491       4
                                                 2.5164       5
                                                 2.4982       6
                                                 3.0984       8
                                                 3.0501       5
                                                 3.3877       6
                                                 3.0661       7
                                                 2.9847       8
                                                 2.7862       9
    8    H(2)O               3.6         10
                                                 3.217        5
                                                 2.9842       6
                                                 3.0984       7
                                                 3.0309       9
                                                 3.1352       9
                                                 2.5975       4
                                                 2.5998       5
                                                 3.0344       6
                                                 2.9847       7
                                                 3.1489       9
    9    H(2)O               3.6         10
                                                 2.7203       4
                                                 3.0485       6
                                                 3.5028       7
                                                 3.1352       8
                                                 3.0309       8
                                                 3.0215       4
                                                 3.0906       5
                                                 2.9734       6
                                                 2.7862       7
                                                 3.1489       8
   10    H                   1.8          2
                                                 0.8539       8
                                                 1.7805       5
   11    H                   1.8          2
                                                 0.8798       8
                                                 1.721        4
   12    H                   1.8          1
                                                 0.8537       9
   13    H                   1.8          1
                                                 0.86         9

  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  8.06   16.121   0.078   98.78    2       25.3      229.1
    2   1   0   0  8.615  17.23    0.084   86.19    2       20.6      131.9
    3   0   0   1  9.082  18.163   0.088   77.35    2       19.2      103.6
    4   1   1   0  9.926  19.852   0.096   64.39    2       14.3       47.5
    5  -1   0   1 11.267  22.534   0.109   49.5     2        8.2       12.0
    6   0  -1   1 11.351  22.702   0.11    48.74    2       30.1      160.0
    7  -1  -1   1 11.48   22.96    0.111   47.6     2       13.8       32.9
    8   0   1   1 12.975  25.95    0.126   36.81    2        9.8       12.7
    9  -1   1   0 13.499  26.997   0.13    33.86    2       32.0      125.4
   10   1   0   1 13.755  27.509   0.133   32.54    2       51.5      312.7
   11   1   1   1 15.302  30.604   0.148   25.91    2       47.1      208.2
   12  -1   1   1 16.009  32.018   0.154   23.51    2       32.5       89.7
   13   1   2   0 16.036  32.073   0.154   23.42    2       35.4      106.3
   14   0   2   0 16.286  32.572   0.157   22.65    2       47.9      188.4
   15  -1  -2   1 16.469  32.938   0.158   22.11    2       69.4      385.5
   16   1  -1   1 16.717  33.434   0.161   21.41    2        5.6        2.4
   17   2   1   0 16.914  33.829   0.163   20.87    2       23.5       41.7
   18  -2  -1   1 16.988  33.976   0.163   20.67    2       38.7      112.3
   19   2   0   0 17.433  34.866   0.167   19.54    2       19.3       26.3
   20   0  -2   1 17.645  35.29    0.169   19.03    2        0.5        0.0
   21  -2   0   1 18.08   36.16    0.173   18.04    2       81.4      432.1
   22  -1  -1   2 18.371  36.743   0.176   17.42    2        2.4        0.4
   23   0   0   2 18.402  36.804   0.176   17.36    2       36.0       81.2
   24  -1   0   2 18.789  37.578   0.18    16.58    2       51.2      157.4
   25   0  -1   2 19.153  38.305   0.183   15.89    2       43.7      109.8
   26  -2  -2   1 19.709  39.419   0.189   14.91    2       30.5       50.3
   27   0   2   1 19.844  39.688   0.19    14.69    2       54.2      155.9
   28   2   2   0 20.167  40.334   0.193   14.17    2       10.3        5.4
   29   1   2   1 20.451  40.902   0.195   13.74    2       11.2        6.3
   30  -1   2   0 20.779  41.557   0.198   13.26    2       27.1       35.1
   31   0   1   2 21.219  42.438   0.202   12.65    2       22.1       22.3
   32   2   0   1 21.391  42.782   0.204   12.42    2       53.0      126.1
   33   2   1   1 21.452  42.905   0.204   12.34    2        4.3        0.8
   34  -2   1   0 21.489  42.977   0.205   12.3     2       29.2       38.0
   35  -1  -2   2 21.494  42.989   0.205   12.29    2       48.5      104.6
   36  -2  -1   2 21.633  43.266   0.206   12.11    2        8.9        3.5
   37   1   0   2 22.01   44.02    0.209   11.65    2        0.6        0.0
   38  -2   1   1 22.511  45.022   0.214   11.07    2        5.1        1.0
   39  -1   1   2 22.582  45.164   0.215   11.0     2        3.6        0.5
   40   1  -2   1 22.647  45.295   0.215   10.92    2        6.7        1.8
   41  -2   0   2 23.002  46.004   0.218   10.55    2       26.6       27.1
   42  -1   2   1 23.047  46.095   0.219   10.5     2        2.2        0.2
   43   0  -2   2 23.181  46.361   0.22    10.36    2       60.4      136.7
   44  -2  -2   2 23.456  46.913   0.223   10.09    2        8.8        2.9
   45   1   1   2 23.532  47.063   0.223   10.02    2       55.2      110.3
   46  -1  -3   1 23.613  47.227   0.224    9.94    2       18.5       12.2
   47   1  -1   2 23.642  47.285   0.224    9.91    2       15.6        8.8
   48   1   3   0 23.752  47.504   0.225    9.81    2       43.7       67.8
   49   2  -1   1 24.474  48.947   0.232    9.16    2       19.2       12.3
   50   2   2   1 24.639  49.278   0.233    9.02    2       45.3       67.0
   51  -3  -1   1 24.804  49.608   0.235    8.89    2        3.6        0.4
   52   0   3   0 24.876  49.752   0.235    8.83    2       10.7        3.7
   53  -2  -3   1 25.211  50.422   0.238    8.56    2       20.4       12.9
   54   0  -3   1 25.427  50.854   0.24     8.4     2       52.0       82.3
   55   3   1   0 25.435  50.87    0.24     8.39    2       38.4       44.9
   56  -3  -2   1 25.987  51.973   0.245    7.99    2        2.2        0.1
   57   2   3   0 26.016  52.033   0.245    7.97    2       17.3        8.6
   58  -3   0   1 26.517  53.034   0.25     7.63    2       14.9        6.2
   59   0   2   2 26.683  53.366   0.251    7.53    2       68.0      125.8
   60   3   0   0 26.705  53.409   0.251    7.51    2       66.2      119.2
   61   3   2   0 27.013  54.025   0.254    7.32    2        1.4        0.1
   62  -1  -3   2 27.169  54.338   0.255    7.22    2       30.9       24.9
   63  -2   1   2 27.191  54.381   0.255    7.21    2       41.8       45.7
   64  -1  -1   3 27.196  54.393   0.255    7.21    2        6.5        1.1
   65   1   3   1 27.544  55.088   0.258    7.0     2       17.9        8.1
   66  -3  -1   2 27.789  55.579   0.261    6.86    2       36.1       32.4
   67   1   2   2 27.811  55.623   0.261    6.85    2       33.3       27.5
   68  -2   2   0 27.83   55.659   0.261    6.84    2        3.4        0.3
   69  -1   0   3 27.912  55.823   0.262    6.79    2       31.2       23.9
   70   0   3   1 27.929  55.858   0.262    6.78    2       17.4        7.5
   71  -2  -3   2 27.993  55.986   0.262    6.75    2       25.2       15.6
   72   1  -2   2 28.008  56.015   0.262    6.74    2       12.5        3.8
   73   0   0   3 28.263  56.527   0.265    6.6     2       43.2       44.5
   74   2   0   2 28.394  56.788   0.266    6.54    2       33.4       26.4
   75   0  -1   3 28.41   56.821   0.266    6.53    2       43.3       44.4
   76  -3  -2   2 28.488  56.977   0.267    6.49    2       45.7       49.0
   77  -1   2   2 28.693  57.385   0.268    6.38    2       20.5        9.7
   78   2   1   2 28.841  57.683   0.27     6.31    2       12.1        3.3
   79  -2   2   1 29.077  58.153   0.272    6.19    2       21.0        9.9
   80  -2  -1   3 29.084  58.168   0.272    6.19    2       17.0        6.5
   81  -1   3   0 29.102  58.203   0.272    6.18    2        2.7        0.2
   82  -1  -2   3 29.198  58.395   0.273    6.14    2       23.8       12.6
   83   0  -3   2 29.439  58.879   0.275    6.02    2       13.8        4.1
   84   3   1   1 29.518  59.036   0.275    5.99    2       46.2       46.3
   85  -3   0   2 29.77   59.54    0.278    5.87    2        0.2        0.0
   86  -3  -3   1 29.821  59.641   0.278    5.85    2       40.6       34.8
   87   2  -2   1 29.969  59.939   0.279    5.79    2       70.4      103.8
   88  -2  -2   3 30.197  60.393   0.281    5.69    2       60.8       76.2
   89   1  -3   1 30.206  60.412   0.281    5.69    2        1.6        0.1
   90   2   3   1 30.21   60.42    0.281    5.68    2       63.4       82.7
   91   3   0   1 30.291  60.581   0.282    5.65    2       28.9       17.1
   92  -3   1   0 30.577  61.154   0.284    5.53    2        0.8        0.0
   93   2  -1   2 30.584  61.169   0.284    5.53    2       13.6        3.7
   94  -2   0   3 30.586  61.172   0.284    5.53    2       30.8       19.0
   95   0   1   3 30.749  61.497   0.286    5.46    2        6.5        0.8
   96  -3   1   1 30.787  61.574   0.286    5.45    2       43.4       37.1
   97   3   3   0 31.141  62.281   0.289    5.31    2       17.1        5.6
   98   0  -2   3 31.167  62.334   0.289    5.3     2       29.0       16.1
   99  -1   1   3 31.222  62.443   0.29     5.28    2       14.4        4.0
  100  -1   3   1 31.293  62.586   0.29     5.26    2       31.5       18.9
  101   3   2   1 31.333  62.666   0.291    5.24    2       18.8        6.7
  102   1   0   3 31.577  63.154   0.293    5.15    2        0.1        0.0
  103  -3  -3   2 31.755  63.511   0.294    5.09    2       31.7       18.5
  104   2   2   2 31.858  63.715   0.295    5.05    2        1.0        0.0
  105  -1  -4   1 31.939  63.878   0.296    5.03    2       11.8        2.6
  106   1   4   0 32.423  64.846   0.3      4.87    2       34.2       20.6
  107  -2  -4   1 32.485  64.97    0.3      4.85    2       59.4       61.9
  108   1  -1   3 32.503  65.005   0.3      4.84    2       34.3       20.6
  109   1   1   3 33.148  66.296   0.306    4.64    2        9.2        1.4
  110  -2   2   2 33.475  66.95    0.308    4.54    2       65.7       70.9
  111   2   4   0 33.538  67.077   0.309    4.53    2       18.4        5.5
  112   3  -1   1 33.547  67.093   0.309    4.52    2        7.4        0.9
  113  -1  -3   3 33.608  67.216   0.309    4.51    2       45.4       33.6
  114  -3  -1   3 33.744  67.487   0.311    4.47    2       25.7       10.7
  115  -2  -3   3 33.771  67.542   0.311    4.46    2        6.6        0.7
  116  -4  -1   1 33.926  67.853   0.312    4.42    2       27.0       11.7
  117   0   3   2 33.934  67.869   0.312    4.42    2       23.2        8.6
  118  -3  -2   3 34.011  68.021   0.313    4.4     2        8.9        1.3
  119   0   4   0 34.116  68.232   0.314    4.37    2       31.5       15.7
  120  -3   1   2 34.144  68.288   0.314    4.36    2       20.9        6.9
  121  -4  -2   1 34.149  68.298   0.314    4.36    2       16.5        4.3
  122   1   3   2 34.159  68.318   0.314    4.36    2       12.4        2.4
  123   0  -4   1 34.212  68.425   0.314    4.34    2       23.0        8.3
  124   1  -3   2 34.421  68.842   0.316    4.29    2       47.4       34.9
  125  -2   1   3 34.502  69.005   0.317    4.27    2       30.1       14.0
  126  -2  -4   2 34.541  69.082   0.317    4.26    2       35.1       19.0
  127  -1  -4   2 34.577  69.153   0.317    4.25    2        7.2        0.8
  128   4   1   0 35.01   70.019   0.321    4.14    2       22.7        7.7
  129   2  -2   2 35.12   70.24    0.322    4.12    2       37.6       21.0
  130   3   3   1 35.511  71.022   0.325    4.03    2        8.4        1.0
  131   0   2   3 35.541  71.083   0.325    4.02    2        8.2        1.0
  132   4   2   0 35.583  71.166   0.325    4.01    2       37.2       20.0
  133  -2   3   0 35.73   71.46    0.326    3.98    2       31.7       14.4
  134  -4  -2   2 35.757  71.513   0.327    3.97    2        7.5        0.8
  135  -3  -4   1 35.785  71.57    0.327    3.97    2       14.0        2.8
  136   1  -2   3 35.825  71.65    0.327    3.96    2       15.6        3.5
  137  -3   0   3 35.884  71.768   0.328    3.94    2       37.0       19.5
  138  -4  -1   2 35.892  71.783   0.328    3.94    2       22.6        7.3
  139   1   4   1 35.966  71.931   0.328    3.93    2       45.0       28.7
  140  -4   0   1 36.104  72.209   0.329    3.9     2       32.0       14.4
  141   0  -3   3 36.189  72.378   0.33     3.88    2        6.8        0.6
  142   3   1   2 36.323  72.646   0.331    3.85    2       10.5        1.5
  143  -1   3   2 36.444  72.887   0.332    3.83    2       13.0        2.3
  144  -3   2   0 36.566  73.131   0.333    3.8     2        8.5        1.0
  145  -3  -3   3 36.661  73.322   0.334    3.78    2        8.3        0.9
  146   3   0   2 36.672  73.343   0.334    3.78    2        8.2        0.9
  147  -1   2   3 36.725  73.45    0.334    3.77    2       23.1        7.3
  148  -4  -3   1 36.752  73.505   0.334    3.77    2       20.6        5.8
  149   4   0   0 36.812  73.624   0.335    3.76    2       12.7        2.2
  150   0   4   1 37.039  74.079   0.337    3.71    2       14.7        2.9
  151   1   2   3 37.055  74.11    0.337    3.71    2       25.4        8.7
  152   2   3   2 37.096  74.192   0.337    3.7     2        8.7        1.0
  153  -3   2   1 37.106  74.212   0.337    3.7     2       48.4       31.4
  154  -2   3   1 37.173  74.346   0.338    3.69    2        9.1        1.1
  155  -3  -4   2 37.214  74.428   0.338    3.68    2       32.7       14.2
  156   2  -3   1 37.273  74.547   0.339    3.67    2       13.2        2.3
  157   0  -4   2 37.318  74.636   0.339    3.66    2       20.2        5.4
  158   3   4   0 37.341  74.681   0.339    3.66    2       25.8        8.8
  159  -1  -1   4 37.362  74.724   0.339    3.65    2       44.6       26.3
  160   2   0   3 37.409  74.818   0.34     3.65    2       26.7        9.4
  161   2   4   1 37.576  75.152   0.341    3.62    2        9.3        1.1
  162  -4  -3   2 37.971  75.942   0.344    3.55    2        0.1        0.0
  163   2   1   3 38.143  76.286   0.345    3.52    2       22.7        6.5
  164  -1   0   4 38.313  76.626   0.347    3.49    2        7.4        0.7
  165   3   2   2 38.314  76.628   0.347    3.49    2       28.3       10.1
  166  -4   0   2 38.366  76.732   0.347    3.48    2       40.0       20.1
  167  -2  -1   4 38.439  76.877   0.348    3.47    2        4.5        0.2
  168  -1   4   0 38.443  76.886   0.348    3.47    2        5.6        0.4
  169   4   3   0 38.49   76.98    0.348    3.47    2       54.0       36.6
  170  -1  -2   4 38.734  77.468   0.35     3.43    2       26.5        8.7
  171   0  -1   4 38.935  77.869   0.351    3.4     2        8.4        0.9
  172   3  -2   1 38.979  77.958   0.352    3.39    2        0.8        0.0
  173   2  -1   3 38.996  77.992   0.352    3.39    2        9.6        1.1
  174   4   1   1 39.033  78.067   0.352    3.38    2       23.4        6.7
  175   1  -4   1 39.073  78.147   0.352    3.38    2       10.3        1.3
  176  -2  -2   4 39.076  78.152   0.352    3.38    2       13.9        2.4
  177   0   0   4 39.151  78.302   0.353    3.37    2       38.3       17.9
  178   3  -1   2 39.338  78.676   0.354    3.34    2       30.7       11.4
  179  -2  -4   3 39.485  78.97    0.355    3.32    2       19.5        4.6
  180   4   2   1 39.925  79.851   0.359    3.26    2       39.9       18.8
  181  -1  -4   3 40.054  80.108   0.36     3.25    2       45.8       24.7
  182  -2   0   4 40.103  80.206   0.36     3.24    2       39.5       18.3
  183  -4  -2   3 40.259  80.518   0.361    3.22    2       18.7        4.1
  184  -3   1   3 40.275  80.549   0.361    3.22    2        2.9        0.1
  185   4   0   1 40.435  80.869   0.363    3.2     2        9.3        1.0
  186  -2   2   3 40.52   81.039   0.363    3.19    2       32.4       12.1
  187  -4   1   1 40.528  81.056   0.363    3.19    2        4.9        0.3
  188  -3   2   2 40.562  81.123   0.363    3.19    2       12.5        1.8
  189  -1   4   1 40.724  81.448   0.365    3.17    2       18.9        4.1
  190  -4  -1   3 40.728  81.455   0.365    3.17    2        0.8        0.0
  191  -4   1   0 40.874  81.747   0.366    3.15    2       34.4       13.5
  192   0  -2   4 41.008  82.017   0.367    3.14    2       21.3        5.1
  193   2   2   3 41.16   82.321   0.368    3.12    2        5.4        0.3
  194  -2  -5   1 41.253  82.506   0.369    3.11    2       23.3        6.1
  195   1  -3   3 41.309  82.618   0.369    3.11    2       15.6        2.7
  196  -1  -5   1 41.472  82.944   0.37     3.09    2       12.2        1.7
  197  -2   3   2 41.495  82.991   0.37     3.09    2       15.7        2.7
  198  -3  -4   3 41.523  83.045   0.371    3.08    2       24.2        6.5
  199  -1   1   4 41.539  83.078   0.371    3.08    2       16.3        3.0
  200  -4  -4   1 41.57   83.14    0.371    3.08    2        9.2        0.9
  201   0   1   4 41.648  83.297   0.371    3.07    2       35.9       14.3
  202   2  -3   2 41.69   83.38    0.372    3.07    2        4.9        0.3
  203   3   4   1 41.768  83.536   0.372    3.06    2        6.8        0.5
  204  -2  -3   4 41.988  83.975   0.374    3.04    2        7.9        0.7
  205  -3  -2   4 42.018  84.036   0.374    3.04    2       18.5        3.8
  206  -4  -3   3 42.066  84.132   0.375    3.03    2       29.6        9.6
  207  -3  -1   4 42.106  84.212   0.375    3.03    2       28.3        8.8
  208   1   5   0 42.248  84.495   0.376    3.02    2       21.3        5.0
  209   1   4   2 42.257  84.513   0.376    3.02    2       13.6        2.0
  210   0   3   3 42.344  84.689   0.377    3.01    2       14.7        2.4
  211  -1  -3   4 42.365  84.73    0.377    3.01    2        8.1        0.7
  212  -4  -4   2 42.415  84.831   0.377    3.0     2       36.5       14.5
  213   3   3   2 42.544  85.089   0.378    2.99    2       45.8       22.7
  214   2   5   0 42.558  85.116   0.378    2.99    2        1.4        0.0
  215   1   0   4 42.578  85.156   0.378    2.99    2       16.0        2.8
  216   1  -4   2 42.583  85.166   0.378    2.99    2       42.0       19.1
  217   0   4   2 42.76   85.519   0.38     2.97    2       27.5        8.2
  218  -2  -5   2 42.82   85.639   0.38     2.97    2       24.7        6.5
  219   2  -2   3 42.833  85.666   0.38     2.97    2        3.5        0.1
  220  -4   1   2 43.058  86.116   0.382    2.95    2       16.1        2.8
  221   1  -1   4 43.077  86.155   0.382    2.95    2       30.4        9.9
  222   4   3   1 43.079  86.158   0.382    2.95    2        9.9        1.1
  223   1   3   3 43.081  86.163   0.382    2.95    2       51.5       28.2
  224   0  -4   3 43.208  86.416   0.383    2.94    2        3.9        0.2
  225  -4   0   3 43.458  86.916   0.384    2.92    2        3.1        0.1
  226  -1  -5   2 43.564  87.128   0.385    2.91    2        5.9        0.4
  227   4   4   0 43.592  87.184   0.385    2.91    2        8.7        0.8
  228  -3  -5   1 43.618  87.235   0.386    2.91    2       20.4        4.4
  229  -2   1   4 44.01   88.021   0.388    2.88    2       11.5        1.4
  230  -5  -2   1 44.032  88.064   0.389    2.88    2        0.7        0.0
  231   4  -1   1 44.084  88.169   0.389    2.88    2       14.0        2.0
  232  -1   3   3 44.185  88.37    0.39     2.87    2       15.6        2.5
  233  -3  -3   4 44.189  88.378   0.39     2.87    2        3.0        0.1
  234   3  -2   2 44.214  88.428   0.39     2.87    2       13.8        2.0
  235   0  -5   1 44.269  88.538   0.39     2.87    2        4.0        0.2
  236   2   4   2 44.331  88.662   0.391    2.86    2       20.7        4.4
  237   1   1   4 44.336  88.671   0.391    2.86    2        6.6        0.5
  238  -3   3   0 44.448  88.896   0.391    2.86    2        3.5        0.1
  239  -3   0   4 44.451  88.903   0.391    2.86    2       33.6       11.7
  240   0   5   0 44.514  89.029   0.392    2.85    2       25.5        6.7
  241  -5  -1   1 44.536  89.071   0.392    2.85    2       15.6        2.5
  242  -3  -5   2 44.65   89.3     0.393    2.85    2       23.3        5.6


  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   0   1   0   8.06   16.121  6.37908      229.1     53.0     53.8     5.6
    2   1   0   0   8.615  17.23   5.97114      131.9     30.5     31.0     5.6
    3   0   0   1   9.082  18.163  5.66683      103.6     24.0     24.3     5.6
    4   1   1   0   9.926  19.852  5.18889       47.5     11.0     11.1     5.6
    5  -1   0   1  11.267  22.534  4.57802       12.0      2.8      2.8     5.6
    6   0  -1   1  11.351  22.702  4.54465      160.0     37.0     37.4     5.6
    7  -1  -1   1  11.48   22.96   4.49419       32.9      7.6      7.7     5.6
    8   0   1   1  12.975  25.95   3.98372       12.7      2.9      3.0     5.6
    9  -1   1   0  13.499  26.997  3.83195      125.4     29.0     29.2     5.6
   10   1   0   1  13.755  27.509  3.76195      312.7     72.4     72.9     5.6
   11   1   1   1  15.302  30.604  3.38932      208.2     48.2     48.4     5.6
   12   1   2   0  16.036  32.073  3.2379       196.0     45.4     45.5     5.6
   13   0   2   0  16.286  32.572  3.18954      188.4     43.6     43.7     5.6
   14  -1  -2   1  16.469  32.938  3.1551       385.5     89.2     89.5     5.6
   15   2   1   0  16.914  33.829  3.07436       41.7      9.7      9.7     5.7
   16  -2  -1   1  16.988  33.976  3.06142      112.3     26.0     26.0     5.7
   17   2   0   0  17.433  34.866  2.98557       26.3      6.1      6.1     5.7
   18  -2   0   1  18.08   36.16   2.88217      432.1    100.0    100.0     5.7
   19   0   0   2  18.402  36.804  2.83342       81.2     18.8     18.8     5.7
   20  -1   0   2  18.789  37.578  2.77712      157.4     36.4     36.4     5.7
   21   0  -1   2  19.153  38.305  2.7263       109.8     25.4     25.4     5.7
   22  -2  -2   1  19.709  39.419  2.65221       50.3     11.7     11.6     5.7
   23   0   2   1  19.844  39.688  2.63493      155.9     36.1     36.0     5.7
   24   2   2   0  20.167  40.334  2.59445        5.4      1.2      1.2     5.7
   25   1   2   1  20.451  40.902  2.55997        6.3      1.5      1.4     5.7
   26  -1   2   0  20.779  41.557  2.52132       35.1      8.1      8.1     5.7
   27   0   1   2  21.219  42.438  2.47136       22.3      5.2      5.1     5.7
   28   2   0   1  21.391  42.782  2.45238      126.1     29.2     29.0     5.7
   29  -1  -2   2  21.494  42.989  2.44114      142.5     33.0     32.8     5.7
   30  -2   0   2  23.002  46.004  2.28901       27.1      6.3      6.2     5.7
   31   0  -2   2  23.181  46.361  2.27233      136.7     31.6     31.3     5.7
   32   1   1   2  23.532  47.063  2.24032      110.3     25.5     25.2     5.7
   33  -1  -3   1  23.613  47.227  2.233         12.2      2.8      2.8     5.7
   34   1  -1   2  23.642  47.285  2.23042        8.8      2.0      2.0     5.7
   35   1   3   0  23.752  47.504  2.22071       67.8     15.7     15.5     5.7
   36   2  -1   1  24.474  48.947  2.15911       12.3      2.8      2.8     5.7
   37   2   2   1  24.639  49.278  2.14549       67.0     15.5     15.3     5.7
   38  -2  -3   1  25.211  50.422  2.09991       12.9      3.0      2.9     5.8
   39   0  -3   1  25.427  50.854  2.08325      127.2     29.4     29.0     5.8
   40   2   3   0  26.016  52.033  2.03923        8.6      2.0      2.0     5.8
   41  -3   0   1  26.517  53.034  2.00343        6.2      1.4      1.4     5.8
   42   0   2   2  26.683  53.366  1.99186      245.1     56.7     55.6     5.8
   43  -2   1   2  27.191  54.381  1.95745       71.7     16.6     16.3     5.8
   44   1   3   1  27.544  55.088  1.93427        8.1      1.9      1.8     5.8
   45  -3  -1   2  27.789  55.579  1.91853       59.9     13.9     13.6     5.8
   46  -1   0   3  27.912  55.823  1.91079       31.4      7.3      7.1     5.8
   47  -2  -3   2  27.993  55.986  1.90569       19.4      4.5      4.4     5.8
   48   0   0   3  28.263  56.527  1.88894       44.5     10.3     10.1     5.8
   49   0  -1   3  28.41   56.821  1.87997       70.7     16.4     16.0     5.8
   50  -3  -2   2  28.488  56.977  1.87525       49.0     11.3     11.1     5.8
   51  -1   2   2  28.693  57.385  1.86304        9.7      2.3      2.2     5.8
   52  -2   2   1  29.077  58.153  1.84054       16.5      3.8      3.7     5.8
   53  -1  -2   3  29.198  58.395  1.83358       12.6      2.9      2.8     5.8
   54   3   1   1  29.518  59.036  1.81545       46.3     10.7     10.4     5.8
   55  -3  -3   1  29.821  59.641  1.79868       34.8      8.1      7.8     5.8
   56   2  -2   1  29.969  59.939  1.79058      103.8     24.0     23.3     5.8
   57   2   3   1  30.21   60.42   1.77765      158.9     36.8     35.7     5.8
   58   3   0   1  30.291  60.581  1.77337       17.1      4.0      3.8     5.8
   59  -2   0   3  30.586  61.172  1.75788       22.8      5.3      5.1     5.8
   60  -3   1   1  30.787  61.574  1.74752       37.1      8.6      8.3     5.8
   61   0  -2   3  31.167  62.334  1.72832       21.7      5.0      4.9     5.8
   62  -1   3   1  31.293  62.586  1.72205       18.9      4.4      4.2     5.8
   63   3   2   1  31.333  62.666  1.72008        6.7      1.5      1.5     5.8
   64  -3  -3   2  31.755  63.511  1.69955       18.5      4.3      4.1     5.9
   65   1   4   0  32.423  64.846  1.66825       20.6      4.8      4.6     5.9
   66  -2  -4   1  32.485  64.97   1.66542       82.5     19.1     18.4     5.9
   67  -2   2   2  33.475  66.95   1.62165       70.9     16.4     15.8     5.9
   68   2   4   0  33.538  67.077  1.61895        6.4      1.5      1.4     5.9
   69  -1  -3   3  33.608  67.216  1.61597       33.6      7.8      7.5     5.9
   70  -3  -1   3  33.744  67.487  1.61025       11.4      2.6      2.5     5.9
   71  -4  -1   1  33.926  67.853  1.60261       20.2      4.7      4.5     5.9
   72   0   4   0  34.116  68.232  1.59477       22.6      5.2      5.0     5.9
   73  -4  -2   1  34.149  68.298  1.59342        6.7      1.5      1.5     5.9
   74   0  -4   1  34.212  68.425  1.59083        8.3      1.9      1.8     5.9
   75   1  -3   2  34.421  68.842  1.58236       34.9      8.1      7.7     5.9
   76  -2   1   3  34.502  69.005  1.57909       14.0      3.2      3.1     5.9
   77  -2  -4   2  34.541  69.082  1.57755       19.0      4.4      4.2     5.9
   78   4   1   0  35.01   70.019  1.55907        7.7      1.8      1.7     5.9
   79   2  -2   2  35.12   70.24   1.55479       21.0      4.9      4.6     5.9
   80   4   2   0  35.583  71.166  1.53718       20.0      4.6      4.4     5.9
   81  -2   3   0  35.73   71.46   1.53169       15.2      3.5      3.4     5.9
   82  -3   0   3  35.884  71.768  1.52601       26.9      6.2      5.9     5.9
   83   1   4   1  35.966  71.931  1.52301       28.7      6.7      6.3     5.9
   84  -4   0   1  36.104  72.209  1.51794       14.4      3.3      3.2     5.9
   85  -1   2   3  36.725  73.45   1.49582       13.1      3.0      2.9     6.0
   86   1   2   3  37.055  74.11   1.48438       11.6      2.7      2.5     6.0
   87  -3   2   1  37.106  74.212  1.48263       32.4      7.5      7.1     6.0
   88  -3  -4   2  37.214  74.428  1.47895       14.2      3.3      3.1     6.0
   89  -1  -1   4  37.362  74.724  1.47394       40.5      9.4      8.9     6.0
   90   2   0   3  37.409  74.818  1.47236        9.4      2.2      2.1     6.0
   91   2   1   3  38.143  76.286  1.44822        6.5      1.5      1.4     6.0
   92   3   2   2  38.314  76.628  1.44274       10.1      2.3      2.2     6.0
   93  -4   0   2  38.366  76.732  1.44109       20.1      4.7      4.4     6.0
   94   4   3   0  38.49   76.98   1.43717       36.6      8.5      8.0     6.0
   95  -1  -2   4  38.734  77.468  1.42952        8.7      2.0      1.9     6.0
   96   4   1   1  39.033  78.067  1.42029        6.7      1.6      1.5     6.0
   97   0   0   4  39.151  78.302  1.41671       17.9      4.1      3.9     6.0
   98   3  -1   2  39.338  78.676  1.41105       11.4      2.6      2.5     6.0
   99  -2  -4   3  39.485  78.97   1.40666        4.6      1.1      1.0     6.0
  100   4   2   1  39.925  79.851  1.3937        18.8      4.4      4.1     6.0
  101  -1  -4   3  40.054  80.108  1.38998       24.7      5.7      5.4     6.0
  102  -2   0   4  40.103  80.206  1.38856       18.3      4.2      4.0     6.0
  103  -2   2   3  40.52   81.039  1.37671       12.4      2.9      2.7     6.1
  104  -4   1   0  40.874  81.747  1.36686       13.5      3.1      2.9     6.1
  105   0  -2   4  41.008  82.017  1.36315        5.1      1.2      1.1     6.1
  106  -2  -5   1  41.253  82.506  1.3565         6.1      1.4      1.3     6.1
  107  -3  -4   3  41.523  83.045  1.34928       13.9      3.2      3.0     6.1
  108   0   1   4  41.648  83.297  1.34595       14.3      3.3      3.1     6.1
  109  -4  -3   3  42.066  84.132  1.33504        9.6      2.2      2.1     6.1
  110  -3  -1   4  42.106  84.212  1.33401        8.8      2.0      1.9     6.1
  111   1   5   0  42.248  84.495  1.33037        7.0      1.6      1.5     6.1
  112  -4  -4   2  42.415  84.831  1.3261        14.5      3.4      3.1     6.1
  113   3   3   2  42.544  85.089  1.32285       22.7      5.3      4.9     6.1
  114   1  -4   2  42.583  85.166  1.32188       21.9      5.1      4.7     6.1
  115   0   4   2  42.76   85.519  1.31747        8.2      1.9      1.7     6.1
  116  -2  -5   2  42.82   85.639  1.31597        6.7      1.5      1.4     6.1
  117   1   3   3  43.081  86.163  1.30953       41.9      9.7      9.0     6.1
  118  -3  -5   1  43.618  87.235  1.29662        4.4      1.0      0.9     6.2
  119  -1   3   3  44.185  88.37   1.28334        4.6      1.1      1.0     6.2
  120   2   4   2  44.331  88.662  1.27999        4.9      1.1      1.0     6.2
  121  -3   0   4  44.451  88.903  1.27725       11.7      2.7      2.5     6.2
  122   0   5   0  44.514  89.029  1.27582        9.2      2.1      2.0     6.2
  123  -3  -5   2  44.65   89.3    1.27275        5.6      1.3      1.2     6.2

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