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       ***
                  ***********************
PHOSPHOSIDERITE

3, f-variscite

FePO(4).2H(2)O


Monoclinic  P 2(1)/n  Z = 4

P2(1)/n

25 .4 .1988

Ref.Str.:

         Fanfani L., Zanazzi P.F. (1966)

         * Atti Accad. Naz. Lincei, 40, 880-889

Ref.Composition & Lattice:

         Moore P.B. (1966)

         * Amer. Mineral., 51, 168-176

                   Initial data from BDM-file 

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

             a =   5.3      alpha =   90.0 
             b =   9.77     beta  =   90.6 
             c =   8.73     gamma =   90.0 

    Unit cell volume (cub. angs.) =   452.02

    Molar volume ( cub.cm/mol.) =    68.07

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

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

   1 0.4083  0.3262  0.3081   0.0    Fe    = 1.00
   2 0.9123  0.1494  0.1838   0.0    P     = 1.00
   3 0.9064  0.2186  0.0269   0.0    O     = 1.00
   4 0.1649  0.1785  0.2649   0.0    O     = 1.00
   5 0.6166  0.4933  0.3305   0.0    O     = 1.00
   6 0.7025  0.207   0.283    0.0    O     = 1.00
   7 0.105   0.4516  0.3197   0.0    O     = 1.00
   8 0.4135  0.366   0.073    0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.4083     0.3262     0.3081
     2       2     0.9123     0.1494     0.1838
     3       3     0.9064     0.2186     0.0269
     4       4     0.1649     0.1785     0.2649
     5       5     0.6166     0.4933     0.3305
     6       6     0.7025     0.207      0.283 
     7       7     0.105      0.4516     0.3197
     8       8     0.4135     0.366      0.073 
     9       1     0.5917     0.6738     0.6919
    10       2     0.0877     0.8506     0.8162
    11       3     0.0936     0.7814     0.9731
    12       4     0.8351     0.8215     0.7351
    13       5     0.3834     0.5067     0.6695
    14       6     0.2975     0.793      0.717 
    15       7     0.895      0.5484     0.6803
    16       8     0.5865     0.634      0.927 
    17       1     0.9083     0.1738     0.8081
    18       2     0.4123     0.3506     0.6838
    19       3     0.4064     0.2814     0.5269
    20       4     0.6649     0.3215     0.7649
    21       5     0.1166     0.0067     0.8305
    22       6     0.2025     0.293      0.783 
    23       7     0.605      0.0484     0.8197
    24       8     0.9135     0.134      0.573 
    25       1     0.0917     0.8262     0.1919
    26       2     0.5877     0.6494     0.3162
    27       3     0.5936     0.7186     0.4731
    28       4     0.3351     0.6785     0.2351
    29       5     0.8834     0.9933     0.1695
    30       6     0.7975     0.707      0.217 
    31       7     0.395      0.9516     0.1803
    32       8     0.0865     0.866      0.427 


X-ray density (g/cm cub.)   =      2.69

MU (1/cm) =     120.284    Mass attenuation coefficient (cm**2/g) =     44.791

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

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

    1    Fe                  2.592        6
                                                 1.9694       4
                                                 1.9793       5
                                                 1.9603       6
                                                 2.0245       7
                                                 2.0894       8
                                                 1.9598       3
    2    P                   2.232        4
                                                 1.5275       3
                                                 1.5345       4
                                                 1.5242       6
                                                 1.5377       5
    3    O                   3.264        9
                                                 2.5076       4
                                                 2.496        6
                                                 3.0719       8
                                                 3.0137       8
                                                 2.7963       4
                                                 2.9167       5
                                                 2.7559       6
                                                 2.9203       7
                                                 2.5324       5
    4    O                   3.264        9
                                                 2.5076       3
                                                 2.8656       6
                                                 2.4732       6
                                                 2.7298       7
                                                 2.8186       8
                                                 2.7963       3
                                                 3.0453       8
                                                 2.4834       5
                                                 2.6393       7
    5    O                   3.264        9
                                                 2.8648       6
                                                 2.6231       7
                                                 2.7426       7
                                                 2.7764       8
                                                 3.2218       5
                                                 2.9167       3
                                                 2.5324       3
                                                 2.4834       4
                                                 2.506        6
    6    O                   3.264       10
                                                 2.496        3
                                                 2.4732       4
                                                 2.8656       4
                                                 2.8648       5
                                                 3.2171       7
                                                 2.8393       8
                                                 2.7559       3
                                                 2.8477       8
                                                 2.506        5
                                                 3.1074       7
    7    O                   3.264        8
                                                 2.7298       4
                                                 2.7426       5
                                                 2.6231       5
                                                 3.2171       6
                                                 2.8434       8
                                                 2.9203       3
                                                 2.6393       4
                                                 3.1074       6
    8    O                   3.264        9
                                                 3.0137       3
                                                 3.0719       3
                                                 2.8186       4
                                                 2.7764       5
                                                 2.8393       6
                                                 2.8434       7
                                                 3.057        8
                                                 3.0453       4
                                                 2.8477       6

  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   1  7.898  15.796   0.077  102.98    4       41.0      339.6
    2   0   2   0 10.551  21.101   0.102   56.75    2       90.3      452.6
    3   1   1   0 11.07   22.14    0.107   51.35    4       86.9      759.0
    4   1   0  -1 11.334  22.668   0.11    48.89    2       71.8      246.8
    5   1   0   1 11.441  22.882   0.111   47.94    2       24.5       28.1
    6   0   0   2 11.825  23.651   0.115   44.74    2      145.9      931.9
    7   0   2   1 12.112  24.224   0.117   42.55    4       17.6       25.7
    8   1   1  -1 12.521  25.043   0.121   39.68    4        2.0        0.3
    9   1   1   1 12.619  25.238   0.122   39.04    4       54.2      224.4
   10   0   1   2 12.97   25.941   0.125   36.84    4       21.7       34.0
   11   1   2   0 14.42   28.839   0.139   29.43    4       85.8      423.9
   12   1   2  -1 15.581  31.163   0.15    24.93    4       49.2      118.3
   13   1   2   1 15.661  31.323   0.151   24.65    4       21.9       23.2
   14   0   2   2 15.951  31.902   0.154   23.7     4       31.3       45.3
   15   1   1  -2 16.232  32.464   0.156   22.82    4       35.1       55.1
   16   1   1   2 16.386  32.772   0.158   22.36    4       23.0       23.2
   17   0   3   1 17.046  34.093   0.164   20.52    4       18.4       13.5
   18   0   1   3 18.707  37.415   0.179   16.74    4       96.6      305.7
   19   1   2  -2 18.746  37.492   0.18    16.66    4       16.1        8.4
   20   1   3   0 18.806  37.612   0.18    16.54    4      132.2      566.4
   21   1   2   2 18.882  37.764   0.181   16.4     4       42.7       58.4
   22   2   0   0 19.728  39.455   0.189   14.88    2       49.9       36.3
   23   1   3  -1 19.738  39.476   0.189   14.86    4       15.1        6.7
   24   1   3   1 19.803  39.607   0.189   14.76    4       34.0       33.5
   25   0   3   2 20.04   40.081   0.192   14.37    4       12.3        4.3
   26   1   0  -3 20.434  40.868   0.195   13.76    2       93.1      116.7
   27   2   1   0 20.472  40.944   0.196   13.71    4       93.3      233.7
   28   1   0   3 20.623  41.247   0.197   13.48    2       69.5       63.7
   29   0   2   3 20.965  41.93    0.2     13.0     4       23.1       13.6
   30   1   1  -3 21.157  42.315   0.202   12.73    4       30.9       23.8
   31   2   1  -1 21.312  42.625   0.203   12.53    4        0.5        0.0
   32   1   1   3 21.342  42.683   0.203   12.49    4       45.0       49.6
   33   2   1   1 21.435  42.869   0.204   12.37    4       19.5        9.2
   34   0   4   0 21.482  42.964   0.205   12.3     2       31.3       11.8
   35   0   4   1 22.35   44.701   0.213   11.25    4       13.9        4.2
   36   1   3  -2 22.398  44.796   0.213   11.2     4       43.7       41.8
   37   1   3   2 22.516  45.031   0.214   11.07    4       68.8      102.6
   38   2   2   0 22.583  45.165   0.215   11.0     4        4.2        0.4
   39   2   0  -2 23.144  46.289   0.22    10.4     2       42.5       18.4
   40   1   2  -3 23.218  46.436   0.22    10.33    4       36.0       26.1
   41   2   2  -1 23.362  46.724   0.222   10.18    4       10.0        2.0
   42   2   0   2 23.373  46.746   0.222   10.17    2       41.3       17.0
   43   1   2   3 23.389  46.778   0.222   10.16    4       19.9        7.9
   44   2   2   1 23.476  46.951   0.223   10.07    4       53.4       56.1
   45   1   4   0 23.78   47.56    0.225    9.78    4       52.2       52.2
   46   2   1  -2 23.802  47.603   0.226    9.76    4        1.0        0.0
   47   2   1   2 24.026  48.051   0.228    9.56    4       16.0        4.8
   48   0   0   4 24.196  48.391   0.229    9.4     2       35.8       11.8
   49   0   3   3 24.344  48.689   0.23     9.27    4       48.5       42.7
   50   1   4  -1 24.558  49.115   0.232    9.09    4       10.4        1.9
   51   1   4   1 24.612  49.225   0.233    9.05    4       38.5       26.2
   52   0   4   2 24.812  49.624   0.235    8.88    4       22.3        8.7
   53   0   1   4 24.832  49.664   0.235    8.87    4       90.4      141.7
   54   2   2  -2 25.697  51.393   0.242    8.2     4       47.2       35.8
   55   2   3   0 25.796  51.593   0.243    8.13    4        9.4        1.4
   56   2   2   2 25.908  51.817   0.244    8.05    4       21.1        7.0
   57   1   3  -3 26.373  52.746   0.248    7.73    4       50.9       39.1
   58   2   3  -1 26.504  53.008   0.249    7.64    4      104.4      163.0
   59   1   3   3 26.529  53.058   0.25     7.63    4        3.1        0.1
   60   2   3   1 26.608  53.216   0.25     7.57    4       73.1       79.2
   61   0   2   4 26.673  53.346   0.251    7.53    4       50.3       37.2
   62   1   1  -4 26.808  53.615   0.252    7.45    4       14.7        3.1
   63   1   4  -2 26.841  53.682   0.252    7.43    4       47.2       32.3
   64   1   4   2 26.944  53.887   0.253    7.36    4        6.8        0.7
   65   1   1   4 27.013  54.027   0.254    7.32    4       15.2        3.3
   66   2   1  -3 27.6    55.199   0.259    6.97    4       33.3       15.1
   67   2   1   3 27.902  55.804   0.262    6.8     4       28.4       10.7
   68   0   5   1 27.975  55.95    0.262    6.76    4       44.4       26.1
   69   1   2  -4 28.559  57.118   0.267    6.45    4       27.7        9.7
   70   0   4   3 28.563  57.125   0.267    6.45    4        8.2        0.9
   71   2   3  -2 28.653  57.306   0.268    6.4     4        6.8        0.6
   72   1   2   4 28.756  57.512   0.269    6.35    4       34.9       15.1
   73   2   3   2 28.85   57.699   0.27     6.3     4        8.6        0.9
   74   1   5   0 29.201  58.403   0.273    6.13    4       58.9       41.7
   75   2   2  -3 29.319  58.639   0.274    6.08    4       56.3       37.7
   76   0   3   4 29.563  59.125   0.276    5.97    4       14.7        2.5
   77   2   2   3 29.61   59.22    0.276    5.95    4       80.4       75.3
   78   2   4   0 29.871  59.741   0.278    5.83    4       27.5        8.6
   79   1   5  -1 29.878  59.757   0.278    5.83    4       19.7        4.4
   80   1   5   1 29.926  59.853   0.279    5.81    4       26.3        7.9
   81   0   5   2 30.102  60.203   0.28     5.73    4       17.1        3.3
   82   1   4  -3 30.395  60.79    0.283    5.61    4       40.8       18.3
   83   2   4  -1 30.515  61.03    0.284    5.56    4       15.0        2.5
   84   1   4   3 30.538  61.075   0.284    5.55    4       43.9       20.9
   85   2   4   1 30.61   61.219   0.285    5.52    4       80.3       69.7
   86   3   1   0 30.966  61.933   0.288    5.38    4       15.4        2.5
   87   3   0  -1 31.033  62.067   0.288    5.35    2       38.6        7.8
   88   3   0   1 31.174  62.348   0.289    5.3     2       59.3       18.2
   89   1   3  -4 31.336  62.671   0.291    5.24    4       20.8        4.4
   90   0   1   5 31.361  62.723   0.291    5.23    4       73.6       55.5
   91   1   3   4 31.522  63.044   0.292    5.17    4       52.5       28.0
   92   3   1  -1 31.574  63.148   0.293    5.15    4       43.5       19.1
   93   3   1   1 31.714  63.427   0.294    5.11    4       38.6       14.9
   94   2   0  -4 31.886  63.772   0.295    5.05    2       25.2        3.1
   95   1   5  -2 31.903  63.807   0.295    5.04    4       16.7        2.8
   96   1   5   2 31.996  63.991   0.296    5.01    4       42.7       17.9
   97   2   3  -3 32.056  64.112   0.297    4.99    4       73.5       52.8
   98   2   0   4 32.255  64.509   0.298    4.92    2        2.0        0.0
   99   2   3   3 32.332  64.664   0.299    4.9     4        6.6        0.4
  100   2   1  -4 32.419  64.837   0.3      4.87    4        5.5        0.3
  101   2   4  -2 32.494  64.988   0.3      4.84    4       10.9        1.1
  102   1   0  -5 32.529  65.057   0.301    4.83    2      101.8       49.1
  103   3   2   0 32.576  65.152   0.301    4.82    4      110.7      115.6
  104   2   4   2 32.677  65.354   0.302    4.78    4       23.8        5.3
  105   1   0   5 32.757  65.514   0.302    4.76    2       87.8       35.9
  106   2   1   4 32.784  65.569   0.303    4.75    4       14.2        1.9
  107   0   2   5 32.96   65.92    0.304    4.7     4       12.4        1.4
  108   1   1  -5 33.056  66.112   0.305    4.67    4       54.2       26.8
  109   3   2  -1 33.167  66.335   0.306    4.63    4       29.1        7.7
  110   1   1   5 33.283  66.565   0.307    4.6     4       42.9       16.6
  111   3   2   1 33.303  66.606   0.307    4.59    4       37.3       12.5
  112   0   6   0 33.32   66.639   0.307    4.59    2      116.8       61.3
  113   0   4   4 33.341  66.683   0.307    4.58    4        6.8        0.4
  114   0   5   3 33.463  66.925   0.308    4.55    4       30.0        8.0
  115   3   1  -2 33.496  66.992   0.308    4.54    4        3.0        0.1
  116   3   1   2 33.766  67.532   0.311    4.46    4       14.0        1.7
  117   0   6   1 33.972  67.944   0.312    4.41    4       21.1        3.8
  118   2   2  -4 33.991  67.982   0.313    4.4     4       57.8       28.8
  119   2   2   4 34.348  68.697   0.315    4.31    4       47.0       18.7
  120   1   2  -5 34.614  69.228   0.318    4.24    4       38.6       12.4
  121   2   5   0 34.664  69.327   0.318    4.23    4       89.0       65.5
  122   1   2   5 34.835  69.671   0.319    4.18    4       59.9       29.4
  123   1   4  -4 35.008  70.016   0.321    4.14    4       56.6       26.0
  124   3   2  -2 35.044  70.088   0.321    4.13    4       44.9       16.3
  125   1   6   0 35.075  70.151   0.321    4.13    4       14.6        1.7
  126   1   5  -3 35.149  70.297   0.322    4.11    4       50.1       20.2
  127   3   3   0 35.171  70.342   0.322    4.1     4       16.0        2.1
  128   1   4   4 35.185  70.369   0.322    4.1     4       47.3       18.0
  129   2   5  -1 35.26   70.52    0.323    4.08    4       55.8       24.9
  130   1   5   3 35.281  70.562   0.323    4.08    4       33.9        9.2
  131   3   2   2 35.309  70.617   0.323    4.07    4       45.2       16.3
  132   2   5   1 35.348  70.696   0.323    4.06    4       19.8        3.1
  133   0   3   5 35.542  71.084   0.325    4.02    4       70.3       38.9
  134   1   6  -1 35.691  71.381   0.326    3.99    4       45.5       16.2
  135   2   4  -3 35.691  71.381   0.326    3.99    4       56.8       25.2
  136   1   6   1 35.734  71.469   0.326    3.98    4        4.3        0.1
  137   3   3  -1 35.742  71.484   0.327    3.97    4       25.4        5.0
  138   3   3   1 35.873  71.746   0.328    3.95    4        6.7        0.3
  139   0   6   2 35.894  71.788   0.328    3.94    4       84.9       55.6
  140   2   4   3 35.953  71.906   0.328    3.93    4      103.7       82.7
  141   3   0  -3 36.127  72.253   0.33     3.89    2        6.9        0.2
  142   3   0   3 36.518  73.036   0.333    3.81    2       36.1        4.9
  143   2   3  -4 36.539  73.077   0.333    3.81    4        0.6        0.0
  144   3   1  -3 36.63   73.259   0.334    3.79    4       72.3       38.8
  145   2   3   4 36.885  73.77    0.336    3.74    4        5.6        0.2
  146   3   1   3 37.019  74.038   0.337    3.72    4       72.2       37.9
  147   2   5  -2 37.11   74.22    0.337    3.7     4       50.3       18.3
  148   1   3  -5 37.143  74.286   0.338    3.69    4       12.3        1.1
  149   2   5   2 37.282  74.565   0.339    3.67    4       60.1       26.0
  150   1   3   5 37.358  74.716   0.339    3.65    4       33.7        8.1
  151   1   6  -2 37.554  75.108   0.341    3.62    4       28.4        5.7
  152   3   3  -2 37.561  75.123   0.341    3.62    4       17.9        2.3
  153   1   6   2 37.64   75.279   0.341    3.6     4       11.3        0.9
  154   3   3   2 37.819  75.637   0.343    3.57    4        4.4        0.1
  155   0   5   4 37.911  75.821   0.343    3.56    4        4.1        0.1
  156   0   0   6 37.936  75.872   0.344    3.55    2       65.9       15.1
  157   3   2  -3 38.123  76.246   0.345    3.52    4       19.1        2.5
  158   2   1  -5 38.126  76.252   0.345    3.52    4       61.1       25.7
  159   0   1   6 38.43   76.861   0.347    3.47    4       34.6        8.1
  160   3   2   3 38.507  77.014   0.348    3.46    4       24.6        4.1
  161   2   1   5 38.552  77.105   0.348    3.46    4        1.2        0.0
  162   3   4   0 38.673  77.347   0.349    3.44    4       69.7       32.7
  163   0   6   3 39.011  78.022   0.352    3.39    4       19.2        2.4
  164   0   4   5 39.031  78.063   0.352    3.38    4       19.3        2.5
  165   3   4  -1 39.225  78.45    0.353    3.36    4        9.3        0.6
  166   3   4   1 39.352  78.704   0.354    3.34    4        0.6        0.0
  167   1   5  -4 39.498  78.996   0.356    3.32    4       10.7        0.7
  168   2   2  -5 39.6    79.201   0.356    3.31    4       68.0       29.9
  169   1   5   4 39.667  79.334   0.357    3.3     4       32.4        6.8
  170   0   2   6 39.902  79.803   0.359    3.27    4        1.2        0.0
  171   1   1  -6 39.969  79.939   0.359    3.26    4       25.9        4.3
  172   2   4  -4 39.997  79.995   0.359    3.26    4       20.8        2.8
  173   2   2   5 40.022  80.045   0.359    3.25    4       89.8       51.4
  174   2   6   0 40.146  80.291   0.36     3.24    4       29.0        5.3
  175   2   5  -3 40.153  80.305   0.36     3.24    4       61.3       23.8
  176   1   1   6 40.222  80.444   0.361    3.23    4       12.3        1.0
  177   2   4   4 40.334  80.668   0.362    3.21    4       17.4        1.9
  178   2   5   3 40.405  80.81    0.362    3.21    4       22.4        3.2
  179   0   7   1 40.466  80.933   0.363    3.2     4        1.6        0.0
  180   3   3  -3 40.572  81.145   0.364    3.19    4       11.9        0.9
  181   1   4  -5 40.585  81.17    0.364    3.18    4       45.3       12.8
  182   1   6  -3 40.607  81.214   0.364    3.18    4       92.9       53.7
  183   2   6  -1 40.713  81.426   0.365    3.17    4       12.7        1.0
  184   1   6   3 40.733  81.466   0.365    3.17    4       62.9       24.5
  185   1   4   5 40.795  81.59    0.365    3.16    4       20.1        2.5
  186   2   6   1 40.797  81.594   0.365    3.16    4       41.7       10.8
  187   3   1  -4 40.882  81.765   0.366    3.15    4       20.1        2.5
  188   3   3   3 40.95   81.9     0.366    3.14    4       24.4        3.7
  189   3   4  -2 40.993  81.986   0.367    3.14    4       23.6        3.4
  190   3   4   2 41.244  82.489   0.369    3.11    4       34.3        7.2
  191   3   1   4 41.385  82.77    0.37     3.1     4       16.7        1.7
  192   1   2  -6 41.427  82.854   0.37     3.09    4       23.9        3.5
  193   1   7   0 41.507  83.014   0.37     3.09    4       54.0       17.6
  194   1   2   6 41.678  83.355   0.372    3.07    4       39.1        9.2
  195   2   3  -5 42.028  84.056   0.374    3.04    4       45.7       12.4
  196   1   7  -1 42.092  84.183   0.375    3.03    4        9.5        0.5
  197   1   7   1 42.133  84.267   0.375    3.03    4       41.0       10.0
  198   0   7   2 42.286  84.572   0.376    3.01    4       51.6       15.7
  199   0   3   6 42.326  84.652   0.376    3.01    4       10.8        0.7
  200   3   2  -4 42.333  84.667   0.376    3.01    4        4.9        0.1
  201   2   3   5 42.445  84.89    0.377    3.0     4       46.9       12.9
  202   4   0   0 42.462  84.924   0.377    3.0     2       99.4       29.0
  203   2   6  -2 42.489  84.978   0.378    3.0     4       13.1        1.0
  204   2   6   2 42.655  85.311   0.379    2.98    4       25.1        3.7
  205   3   2   4 42.833  85.667   0.38     2.97    4        2.8        0.0
  206   4   1   0 42.944  85.888   0.381    2.96    4       93.7       50.8
  207   3   5   0 43.045  86.09    0.382    2.95    4       15.0        1.3
  208   0   6   4 43.264  86.528   0.383    2.93    4        5.2        0.2
  209   0   5   5 43.396  86.791   0.384    2.92    4       32.6        6.1
  210   4   1  -1 43.463  86.927   0.385    2.92    4       26.1        3.9
  211   3   5  -1 43.585  87.171   0.385    2.91    4        4.0        0.1
  212   4   1   1 43.63   87.259   0.386    2.91    4       10.8        0.7
  213   3   5   1 43.71   87.42    0.386    2.9     4        8.8        0.4
  214   1   3  -6 43.837  87.674   0.387    2.89    4       45.5       11.7
  215   1   7  -2 43.88   87.76    0.387    2.89    4       63.1       22.5
  216   3   4  -3 43.951  87.903   0.388    2.89    4       16.0        1.4
  217   1   7   2 43.963  87.926   0.388    2.89    4       15.1        1.3
  218   1   3   6 44.086  88.172   0.389    2.88    4       22.1        2.8
  219   2   0  -6 44.287  88.573   0.39     2.87    2       25.9        1.9
  220   3   4   3 44.325  88.65    0.391    2.86    4       21.3        2.5
  221   2   5  -4 44.345  88.69    0.391    2.86    4       11.1        0.7
  222   4   2   0 44.386  88.772   0.391    2.86    4       15.3        1.3
  223   2   5   4 44.677  89.354   0.393    2.85    4       17.4        1.7
  224   4   0  -2 44.705  89.411   0.393    2.84    2       41.9        4.9
  225   3   3  -4 44.739  89.477   0.393    2.84    4       48.2       12.9
  226   2   1  -6 44.767  89.534   0.394    2.84    4       56.3       17.6
  227   2   0   6 44.785  89.57    0.394    2.84    2       41.3        4.7
  228   1   6  -4 44.814  89.629   0.394    2.84    4       27.1        4.1
  229   4   2  -1 44.905  89.81    0.395    2.83    4       31.4        5.5
  230   1   5  -5 44.925  89.85    0.395    2.83    4       29.6        4.9
  231   1   6   4 44.98   89.961   0.395    2.83    4        4.1        0.1


  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   1   7.898  15.796  6.50959      339.6     36.4     36.6     5.6
    2   0   2   0  10.551  21.101  4.885        452.6     48.6     48.7     5.6
    3   1   1   0  11.07   22.14   4.65847      759.0     81.4     81.5     5.6
    4   1   0  -1  11.334  22.668  4.5514       246.8     26.5     26.5     5.6
    5   1   0   1  11.441  22.882  4.50931       28.1      3.0      3.0     5.6
    6   0   0   2  11.825  23.651  4.36476      931.9    100.0    100.0     5.6
    7   0   2   1  12.112  24.224  4.26293       25.7      2.8      2.8     5.6
    8   1   1   1  12.619  25.238  4.09426      224.4     24.1     24.1     5.6
    9   0   1   2  12.97   25.941  3.98515       34.0      3.6      3.6     5.6
   10   1   2   0  14.42   28.839  3.59189      423.9     45.5     45.3     5.6
   11   1   2  -1  15.581  31.163  3.33002      118.3     12.7     12.6     5.6
   12   1   2   1  15.661  31.323  3.31343       23.2      2.5      2.5     5.6
   13   0   2   2  15.951  31.902  3.2548        45.3      4.9      4.8     5.6
   14   1   1  -2  16.232  32.464  3.19986       55.1      5.9      5.9     5.6
   15   1   1   2  16.386  32.772  3.1706        23.2      2.5      2.5     5.6
   16   0   3   1  17.046  34.093  3.05125       13.5      1.5      1.4     5.7
   17   0   1   3  18.707  37.415  2.78878      305.7     32.8     32.4     5.7
   18   1   3   0  18.806  37.612  2.77466      566.4     60.8     60.1     5.7
   19   1   2   2  18.882  37.764  2.7639        58.4      6.3      6.2     5.7
   20   2   0   0  19.728  39.455  2.64986       43.0      4.6      4.6     5.7
   21   1   3   1  19.803  39.607  2.64013       33.5      3.6      3.5     5.7
   22   1   0  -3  20.434  40.868  2.56201      116.7     12.5     12.3     5.7
   23   2   1   0  20.472  40.944  2.55746      233.7     25.1     24.7     5.7
   24   1   0   3  20.623  41.247  2.53947       63.7      6.8      6.7     5.7
   25   0   2   3  20.965  41.93   2.49993       13.6      1.5      1.4     5.7
   26   1   1  -3  21.157  42.315  2.47822       23.8      2.6      2.5     5.7
   27   1   1   3  21.342  42.683  2.4578        49.6      5.3      5.2     5.7
   28   0   4   0  21.482  42.964  2.4425        11.8      1.3      1.2     5.7
   29   1   3  -2  22.398  44.796  2.34742       41.8      4.5      4.4     5.7
   30   1   3   2  22.516  45.031  2.33579      102.6     11.0     10.8     5.7
   31   2   0  -2  23.144  46.289  2.2757        18.4      2.0      1.9     5.7
   32   1   2  -3  23.218  46.436  2.2689        26.1      2.8      2.7     5.7
   33   1   2   3  23.389  46.778  2.2532        26.8      2.9      2.8     5.7
   34   2   2   1  23.476  46.951  2.24536       56.1      6.0      5.9     5.7
   35   1   4   0  23.78   47.56   2.21825       52.2      5.6      5.5     5.7
   36   0   0   4  24.196  48.391  2.18238       11.8      1.3      1.2     5.7
   37   0   3   3  24.344  48.689  2.16986       42.7      4.6      4.5     5.7
   38   1   4   1  24.612  49.225  2.14768       26.2      2.8      2.7     5.7
   39   0   1   4  24.832  49.664  2.12989      150.3     16.1     15.7     5.7
   40   2   2  -2  25.697  51.393  2.06284       35.8      3.8      3.7     5.8
   41   1   3  -3  26.373  52.746  2.01359       39.1      4.2      4.1     5.8
   42   2   3  -1  26.504  53.008  2.00434      163.1     17.5     17.0     5.8
   43   2   3   1  26.608  53.216  1.99709       79.2      8.5      8.3     5.8
   44   0   2   4  26.673  53.346  1.99257       37.2      4.0      3.9     5.8
   45   1   4  -2  26.841  53.682  1.98103       32.3      3.5      3.4     5.8
   46   2   1  -3  27.6    55.199  1.93067       15.1      1.6      1.6     5.8
   47   2   1   3  27.902  55.804  1.91141       10.7      1.2      1.1     5.8
   48   0   5   1  27.975  55.95   1.90681       26.1      2.8      2.7     5.8
   49   1   2  -4  28.559  57.118  1.87101       10.6      1.1      1.1     5.8
   50   1   2   4  28.756  57.512  1.85926       15.1      1.6      1.6     5.8
   51   1   5   0  29.201  58.403  1.83336       41.7      4.5      4.3     5.8
   52   2   2  -3  29.319  58.639  1.82663       37.7      4.0      3.9     5.8
   53   2   2   3  29.61   59.22   1.8103        75.3      8.1      7.8     5.8
   54   2   4   0  29.871  59.741  1.79595       13.1      1.4      1.3     5.8
   55   1   4  -3  30.395  60.79   1.76785       18.3      2.0      1.9     5.8
   56   1   4   3  30.538  61.075  1.76039       23.4      2.5      2.4     5.8
   57   2   4   1  30.61   61.219  1.75664       69.7      7.5      7.2     5.8
   58   3   0   1  31.174  62.348  1.72796       18.2      2.0      1.9     5.8
   59   0   1   5  31.361  62.723  1.71868       59.9      6.4      6.2     5.8
   60   1   3   4  31.522  63.044  1.71081       28.0      3.0      2.9     5.9
   61   3   1  -1  31.574  63.148  1.70828       19.1      2.0      2.0     5.9
   62   3   1   1  31.714  63.427  1.70155       14.9      1.6      1.5     5.9
   63   1   5   2  31.996  63.991  1.68812       17.9      1.9      1.8     5.9
   64   2   3  -3  32.056  64.112  1.68529       52.8      5.7      5.4     5.9
   65   1   0  -5  32.529  65.057  1.66342       49.1      5.3      5.0     5.9
   66   3   2   0  32.576  65.152  1.66128      115.6     12.4     11.8     5.9
   67   1   0   5  32.757  65.514  1.6531        37.8      4.1      3.9     5.9
   68   1   1  -5  33.056  66.112  1.63983       26.8      2.9      2.7     5.9
   69   1   1   5  33.283  66.565  1.62994       29.1      3.1      3.0     5.9
   70   0   6   0  33.32   66.639  1.62833       61.7      6.6      6.3     5.9
   71   2   2  -4  33.991  67.982  1.59993       32.6      3.5      3.3     5.9
   72   2   2   4  34.348  68.697  1.5853        18.7      2.0      1.9     5.9
   73   1   2  -5  34.614  69.228  1.57464       12.4      1.3      1.3     5.9
   74   2   5   0  34.664  69.327  1.57266       65.5      7.0      6.7     5.9
   75   1   2   5  34.835  69.671  1.56587       29.4      3.2      3.0     5.9
   76   1   4  -4  35.008  70.016  1.55912       26.0      2.8      2.6     5.9
   77   3   2  -2  35.044  70.088  1.55773       16.3      1.8      1.7     5.9
   78   1   5  -3  35.149  70.297  1.55369       22.3      2.4      2.3     5.9
   79   1   4   4  35.185  70.369  1.55231       18.0      1.9      1.8     5.9
   80   2   5  -1  35.26   70.52   1.54943       34.1      3.7      3.5     5.9
   81   3   2   2  35.309  70.617  1.54756       16.3      1.8      1.7     5.9
   82   0   3   5  35.542  71.084  1.53873       38.9      4.2      3.9     5.9
   83   2   4  -3  35.691  71.381  1.53317       41.4      4.4      4.2     5.9
   84   0   6   2  35.894  71.788  1.52563       55.6      6.0      5.6     5.9
   85   2   4   3  35.953  71.906  1.52347       82.7      8.9      8.4     5.9
   86   3   1  -3  36.63   73.259  1.49917       38.8      4.2      3.9     6.0
   87   3   1   3  37.019  74.038  1.48562       37.9      4.1      3.8     6.0
   88   2   5  -2  37.11   74.22   1.48249       18.3      2.0      1.8     6.0
   89   2   5   2  37.282  74.565  1.47663       26.0      2.8      2.6     6.0
   90   0   0   6  37.936  75.872  1.45492       15.1      1.6      1.5     6.0
   91   2   1  -5  38.126  76.252  1.44878       28.2      3.0      2.8     6.0
   92   3   4   0  38.673  77.347  1.43141       32.7      3.5      3.3     6.0
   93   2   2  -5  39.6    79.201  1.40323       29.9      3.2      3.0     6.0
   94   2   2   5  40.022  80.045  1.39089       51.4      5.5      5.1     6.0
   95   2   5  -3  40.153  80.305  1.38714       29.1      3.1      2.9     6.0
   96   1   6  -3  40.607  81.214  1.37426       66.5      7.1      6.6     6.1
   97   1   6   3  40.733  81.466  1.37075       24.5      2.6      2.4     6.1
   98   2   6   1  40.797  81.594  1.36897       13.3      1.4      1.3     6.1
   99   1   7   0  41.507  83.014  1.34969       17.6      1.9      1.7     6.1
  100   2   3  -5  42.028  84.056  1.33602       12.4      1.3      1.2     6.1
  101   1   7   1  42.133  84.267  1.33331       10.0      1.1      1.0     6.1
  102   0   7   2  42.286  84.572  1.3294        15.7      1.7      1.5     6.1
  103   4   0   0  42.462  84.924  1.32493       42.9      4.6      4.2     6.1
  104   4   1   0  42.944  85.888  1.31291       50.8      5.5      5.0     6.1
  105   1   3  -6  43.837  87.674  1.29144       11.7      1.3      1.1     6.2
  106   1   7  -2  43.88   87.76   1.29042       22.5      2.4      2.2     6.2
  107   2   1  -6  44.767  89.534  1.27013       39.4      4.2      3.8     6.2
  108   4   2  -1  44.905  89.81   1.26706       10.3      1.1      1.0     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)