Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

                            ***

          ***      W W W - X R A Y P O L       ***
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ABERNATHYITE

1, f-abernathyite

K[UO(2)][AsO(4)].4H(2)O


Tetragonal  * P4/ncc  Z = 4

*P4/ncc

31 .8 .1999

Ref.Str.:

         Ross M., Evans H.T. (1964)

         * Amer. Mineral., 49, 1578-1602

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   7.176    alpha =   90.0 
             b =   7.176    beta  =   90.0 
             c =  18.126    gamma =   90.0 

    Unit cell volume (cub. angs.) =   933.4 

    Molar volume ( cub.cm/mol.) =   140.56

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

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

   1 0.75    0.25    0.0      1.84   As    = 1.00
   2 0.25    0.25    0.0514   1.9    U     = 1.00
   3 0.25    0.25    0.1515   2.99   O     = 1.00
   4 0.25    0.25    0.9575   2.48   O     = 1.00
   5 0.6963  0.0729  0.4433   2.75   O     = 1.00
   6 0.165   0.9876  0.3154   3.71   O     = 0.75, K     = 0.25


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.75       0.25       0.0   
     2       2     0.25       0.25       0.0514
     3       3     0.25       0.25       0.1515
     4       4     0.25       0.25       0.9575
     5       5     0.6963     0.0729     0.4433
     6       6     0.165      0.9876     0.3154
     7       1     0.25       0.75       0.0   
     8       5     0.4271     0.6963     0.4433
     9       5     0.8037     0.4271     0.4433
    10       5     0.0729     0.8037     0.4433
    11       6     0.5124     0.165      0.3154
    12       6     0.335      0.5124     0.3154
    13       6     0.9876     0.335      0.3154
    14       1     0.75       0.25       0.5   
    15       2     0.25       0.25       0.5514
    16       3     0.25       0.25       0.6515
    17       4     0.25       0.25       0.4575
    18       5     0.8037     0.0729     0.9433
    19       6     0.335      0.9876     0.8154
    20       1     0.25       0.75       0.5   
    21       5     0.0729     0.6963     0.9433
    22       5     0.6963     0.4271     0.9433
    23       5     0.4271     0.8037     0.9433
    24       6     0.9876     0.165      0.8154
    25       6     0.165      0.5124     0.8154
    26       6     0.5124     0.335      0.8154
    27       2     0.75       0.75       0.9486
    28       3     0.75       0.75       0.8485
    29       4     0.75       0.75       0.0425
    30       5     0.1963     0.5729     0.5567
    31       6     0.665      0.4876     0.6846
    32       5     0.9271     0.1963     0.5567
    33       5     0.3037     0.9271     0.5567
    34       5     0.5729     0.3037     0.5567
    35       6     0.0124     0.665      0.6846
    36       6     0.835      0.0124     0.6846
    37       6     0.4876     0.835      0.6846
    38       2     0.75       0.75       0.4486
    39       3     0.75       0.75       0.3485
    40       4     0.75       0.75       0.5425
    41       5     0.3037     0.5729     0.0567
    42       6     0.835      0.4876     0.1846
    43       5     0.5729     0.1963     0.0567
    44       5     0.1963     0.9271     0.0567
    45       5     0.9271     0.3037     0.0567
    46       6     0.4876     0.665      0.1846
    47       6     0.665      0.0124     0.1846
    48       6     0.0124     0.835      0.1846


X-ray density (g/cm cub.)   =      3.53

MU (1/cm) =     692.041    Mass attenuation coefficient (cm**2/g) =    196.116

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

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

    1    As                  2.46         4
                                                 1.6792       5
                                                 1.6792       5
                                                 1.6792       5
                                                 1.6792       5
    2    U                   2.88         6
                                                 1.8144       3
                                                 1.702        4
                                                 2.3509       5
                                                 2.3509       5
                                                 2.3509       5
                                                 2.3509       5
    3    O                   3.264        4
                                                 2.9104       5
                                                 2.9104       5
                                                 2.9104       5
                                                 2.9104       5
    4    O                   3.264        8
                                                 3.2484       6
                                                 3.2484       6
                                                 3.2484       6
                                                 3.2484       6
                                                 2.9582       5
                                                 2.9582       5
                                                 2.9582       5
                                                 2.9582       5
    5    O                   3.264        6
                                                 2.656        5
                                                 2.7483       6
                                                 2.7843       5
                                                 2.7843       5
                                                 2.9104       3
                                                 2.9582       4
    6   O    ,K              3.264        5
                                                 2.7483       5
                                                 2.7992       6
                                                 2.7992       6
                                                 3.2484       4
                                                 2.8319       6

  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   0   0   2  4.876   9.751   0.055  273.89    2      390.0     9561.3
    2   1   0   2  7.869  15.739   0.089  103.74    8      181.6     3139.9
    3   1   1   0  8.731  17.463   0.099   83.85    4      201.2     1558.9
    4   0   0   4  9.787  19.574   0.11    66.3     2      196.8      589.2
    5   1   1   2 10.019  20.038   0.113   63.16    8      122.0      863.9
    6   1   0   4 11.598  23.195   0.13    46.6     8      331.4     4698.3
    7   2   0   0 12.397  24.794   0.139   40.52    4      430.6     3450.1
    8   1   1   4 13.173  26.347   0.148   35.65    8       37.2       45.2
    9   2   0   2 13.35   26.699   0.15    34.66    8      380.4     4604.9
   10   2   1   1 14.108  28.217   0.158   30.83   16       68.7      267.0
   11   2   1   2 14.751  29.503   0.165   28.03   16      193.1     1919.8
   12   0   0   6 14.772  29.544   0.166   27.95    2       63.8       26.1
   13   2   1   3 15.77   31.54    0.176   24.29   16       13.6        8.2
   14   2   0   4 15.892  31.785   0.178   23.89    8      171.9      647.9
   15   1   0   6 16.06   32.121   0.18    23.35    8      214.7      988.0
   16   2   1   4 17.105  34.209   0.191   20.37   16      141.3      747.0
   17   1   1   6 17.262  34.524   0.193   19.96    8      162.5      484.0
   18   2   2   0 17.674  35.349   0.197   18.96    4      312.5      850.2
   19   2   2   2 18.378  36.755   0.205   17.41    8      319.8     1634.3
   20   2   1   5 18.697  37.393   0.208   16.76   16        8.6        2.3
   21   3   0   2 19.454  38.908   0.216   15.35    8      193.2      526.3
   22   2   0   6 19.47   38.941   0.216   15.32    8       10.2        1.5
   23   3   1   0 19.843  39.686   0.22    14.69    8      239.1      771.3
   24   0   0   8 19.875  39.75    0.221   14.64    2      301.8      306.0
   25   3   1   1 20.004  40.009   0.222   14.43   16        0.5        0.0
   26   2   2   4 20.362  40.724   0.226   13.87    8      150.9      290.0
   27   3   1   2 20.482  40.965   0.227   13.69   16      135.4      461.0
   28   2   1   6 20.498  40.996   0.227   13.67   16      205.4     1059.3
   29   1   0   8 20.886  41.772   0.231   13.11    8      133.7      215.3
   30   3   1   3 21.26   42.519   0.235   12.6    16       78.9      143.8
   31   3   0   4 21.354  42.709   0.236   12.47    8      272.5      850.3
   32   1   1   8 21.859  43.717   0.242   11.83    8      264.4      759.4
   33   3   1   4 22.31   44.621   0.246   11.3    16       19.7        8.0
   34   2   1   7 22.472  44.944   0.248   11.12   16       56.5       65.1
   35   3   2   1 22.914  45.828   0.253   10.64   16       21.1        8.7
   36   3   2   2 23.344  46.687   0.257   10.2    16      153.3      440.3
   37   2   2   6 23.358  46.716   0.257   10.19    8        4.9        0.2
   38   3   1   5 23.607  47.214   0.26     9.94   16       59.9       65.5
   39   2   0   8 23.708  47.416   0.261    9.85    8      106.6      102.8
   40   3   2   3 24.047  48.093   0.265    9.54   16       24.1       10.2
   41   3   0   6 24.252  48.503   0.267    9.35    8      225.7      437.5
   42   2   1   8 24.592  49.185   0.27     9.06   16      119.9      239.2
   43   3   2   4 25.006  50.011   0.274    8.73   16      214.4      736.9
   44   3   1   6 25.122  50.243   0.276    8.63   16      152.8      370.1
   45   0   0  10 25.148  50.296   0.276    8.61    2      183.8       66.8
   46   4   0   0 25.427  50.854   0.279    8.4     4      345.7      460.8
   47   4   0   2 25.957  51.914   0.284    8.01    8      250.4      461.4
   48   1   0  10 25.996  51.992   0.285    7.99    8        9.2        0.6
   49   3   2   5 26.201  52.401   0.287    7.85   16       26.7       10.2
   50   4   1   1 26.399  52.797   0.289    7.71   16       27.9       11.1
   51   4   1   2 26.786  53.573   0.293    7.46   16      108.0      159.9
   52   1   1  10 26.824  53.649   0.293    7.44    8      299.0      610.5
   53   3   1   7 26.83   53.66    0.293    7.43   16        3.8        0.2
   54   2   1   9 26.843  53.685   0.293    7.42   16       29.9       12.2
   55   3   3   0 27.091  54.183   0.296    7.27    4      194.7      126.5
   56   2   2   8 27.116  54.233   0.296    7.26    8       55.9       20.8
   57   4   1   3 27.424  54.848   0.299    7.07   16        4.9        0.3
   58   4   0   4 27.503  55.005   0.3      7.03    8      127.9      105.5
   59   3   3   2 27.599  55.197   0.301    6.97    8      124.5       99.3
   60   3   2   6 27.611  55.222   0.301    6.96   16      185.6      440.4
   61   3   0   8 27.922  55.844   0.304    6.79    8      123.1       94.5
   62   4   1   4 28.301  56.601   0.308    6.58   16      202.6      496.5
   63   2   0  10 28.431  56.863   0.309    6.52    8      172.8      178.6
   64   4   2   0 28.688  57.377   0.312    6.38    8      327.4      628.3
   65   3   1   8 28.713  57.425   0.312    6.37   16      274.1      879.2
   66   4   2   1 28.811  57.622   0.313    6.32   16       26.3        8.0
   67   3   3   4 29.085  58.169   0.316    6.19    8       13.8        1.1
   68   4   2   2 29.177  58.354   0.316    6.15   16      214.1      517.4
   69   2   1  10 29.213  58.426   0.317    6.13   16       38.7       16.8
   70   3   2   7 29.218  58.436   0.317    6.13   16       13.2        2.0
   71   4   1   5 29.402  58.805   0.319    6.04   16        2.9        0.1
   72   4   2   3 29.781  59.562   0.322    5.87   16       26.9        7.8
   73   4   0   6 29.958  59.916   0.324    5.79    8       16.3        1.4
   74   4   2   4 30.614  61.228   0.331    5.52   16      116.4      137.4
   75   0   0  12 30.661  61.321   0.331    5.5     2       92.2       10.7
   76   4   1   6 30.715  61.431   0.332    5.48   16      145.3      212.3
   77   3   1   9 30.755  61.51    0.332    5.46   16        4.7        0.2
   78   3   2   8 31.007  62.013   0.334    5.36   16      107.0      112.8
   79   1   0  12 31.408  62.816   0.338    5.21    8      170.4      139.0
   80   3   3   6 31.462  62.924   0.339    5.2     8      140.1       93.6
   81   2   2  10 31.485  62.969   0.339    5.19    8      143.7       98.3
   82   4   2   5 31.666  63.332   0.341    5.12   16       16.0        2.4
   83   2   1  11 31.7    63.4     0.341    5.11   16        7.1        0.5
   84   1   1  12 32.145  64.29    0.345    4.96    8      207.2      195.4
   85   3   0  10 32.221  64.442   0.346    4.93    8       30.8        4.3
   86   4   1   7 32.226  64.452   0.346    4.93   16       24.9        5.6
   87   4   3   1 32.574  65.148   0.349    4.82   16       34.7       10.7
   88   4   3   2 32.915  65.83    0.353    4.71   16      120.7      126.1
   89   5   0   2 32.915  65.83    0.353    4.71    8      129.9       72.9
   90   4   2   6 32.926  65.852   0.353    4.71   16       28.4        7.0
   91   3   1  10 32.949  65.897   0.353    4.7    16      279.0      671.8
   92   3   2   9 32.964  65.929   0.353    4.7    16       14.8        1.9
   93   5   1   0 33.184  66.369   0.355    4.63    8      122.8       64.1
   94   4   0   8 33.207  66.413   0.355    4.62    8      107.5       49.1
   95   5   1   1 33.297  66.594   0.356    4.6    16       20.6        3.6
   96   4   3   3 33.48   66.959   0.358    4.54   16        7.6        0.5
   97   2   0  12 33.594  67.187   0.359    4.51    8       84.4       29.5
   98   5   1   2 33.635  67.269   0.36     4.5    16       84.7       59.3
   99   4   1   8 33.923  67.846   0.362    4.42   16       92.5       69.5
  100   5   1   3 34.193  68.386   0.365    4.35   16        9.6        0.7
  101   4   3   4 34.262  68.524   0.365    4.33   16      158.0      198.6
  102   5   0   4 34.262  68.524   0.365    4.33    8      113.1       50.9
  103   2   1  12 34.306  68.612   0.366    4.32   16       92.2       67.4
  104   4   2   7 34.384  68.768   0.367    4.3    16       17.9        2.5
  105   3   3   8 34.632  69.265   0.369    4.23    8      234.8      214.3
  106   5   1   4 34.968  69.937   0.372    4.15   16       15.1        1.7
  107   3   2  10 35.085  70.169   0.373    4.12   16       21.2        3.4
  108   4   3   5 35.256  70.513   0.375    4.08   16        5.4        0.2
  109   3   1  11 35.289  70.578   0.375    4.08   16       44.8       15.0
  110   5   2   1 35.423  70.846   0.376    4.05   16       21.1        3.3
  111   5   2   2 35.751  71.502   0.379    3.97   16       91.1       60.6
  112   4   1   9 35.799  71.597   0.38     3.96   16       13.9        1.4
  113   5   1   5 35.954  71.907   0.381    3.93   16        3.6        0.1
  114   4   2   8 36.032  72.064   0.382    3.91   16      108.0       83.8
  115   5   2   3 36.295  72.59    0.384    3.86   16        0.9        0.0
  116   2   2  12 36.405  72.81    0.385    3.84    8       72.8       18.7
  117   4   3   6 36.455  72.91    0.386    3.83   16      150.7      159.6
  118   5   0   6 36.455  72.91    0.386    3.83    8      152.7       81.9
  119   0   0  14 36.509  73.017   0.386    3.81    2        4.8        0.0
  120   2   1  13 37.037  74.075   0.391    3.71   16        1.4        0.0
  121   5   2   4 37.051  74.102   0.391    3.71   16      157.3      168.6
  122   3   0  12 37.093  74.187   0.391    3.7     8      146.9       73.4
  123   5   1   6 37.143  74.287   0.392    3.69   16      110.1       82.2
  124   4   0  10 37.165  74.329   0.392    3.69    8      121.2       49.8
  125   1   0  14 37.196  74.393   0.392    3.68    8      155.2       81.5
  126   3   2  11 37.364  74.728   0.394    3.65   16        9.1        0.6
  127   4   4   0 37.388  74.777   0.394    3.65    4      217.9       79.6
  128   3   1  12 37.777  75.555   0.398    3.58   16      188.9      234.8
  129   4   4   2 37.816  75.633   0.398    3.57    8      207.0      140.6
  130   4   1  10 37.848  75.696   0.398    3.57   16        2.2        0.0
  131   4   3   7 37.852  75.705   0.398    3.57   16       32.3        6.8
  132   4   2   9 37.863  75.726   0.398    3.57   16       17.4        2.0
  133   1   1  14 37.88   75.759   0.399    3.56    8       90.2       26.6
  134   5   2   5 38.015  76.03    0.4      3.54   16        2.7        0.0
  135   3   3  10 38.527  77.055   0.404    3.46    8      247.6      194.8
  136   5   1   7 38.532  77.063   0.404    3.46   16       13.7        1.2
  137   5   3   0 38.748  77.497   0.406    3.43    8      111.8       39.3
  138   5   3   1 38.854  77.709   0.407    3.41   16       16.0        1.6
  139   4   4   4 39.091  78.182   0.409    3.38    8       98.1       29.8
  140   5   3   2 39.172  78.343   0.41     3.36   16       75.8       35.5
  141   5   2   6 39.182  78.364   0.41     3.36   16      123.7       94.6
  142   2   0  14 39.234  78.468   0.411    3.36    8       31.4        3.0
  143   4   3   8 39.444  78.887   0.412    3.33   16       86.0       45.2
  144   5   0   8 39.444  78.887   0.412    3.33    8       85.1       22.1
  145   5   3   3 39.699  79.398   0.415    3.29   16       22.1        2.9
  146   3   2  12 39.806  79.611   0.416    3.28   16      120.8       87.9
  147   4   2  10 39.875  79.75    0.416    3.27   16      103.5       64.4
  148   2   1  14 39.906  79.813   0.416    3.27   16      142.2      121.3
  149   4   1  11 40.071  80.141   0.418    3.25   16        3.2        0.1
  150   6   0   0 40.094  80.188   0.418    3.24    4      196.6       57.5
  151   5   1   8 40.115  80.23    0.418    3.24   16      175.2      182.6
  152   3   1  13 40.421  80.842   0.421    3.2    16       21.4        2.7
  153   5   3   4 40.434  80.868   0.421    3.2    16       11.8        0.8
  154   6   0   2 40.514  81.028   0.422    3.19    8      210.1      129.4
  155   5   2   7 40.549  81.098   0.422    3.19   16       18.9        2.1
  156   6   1   1 40.868  81.735   0.425    3.15   16        7.3        0.3
  157   6   1   2 41.181  82.362   0.427    3.12   16      113.8       74.1
  158   4   4   6 41.191  82.382   0.427    3.12    8       11.9        0.4
  159   4   3   9 41.227  82.453   0.428    3.11   16       18.0        1.9
  160   5   3   5 41.375  82.75    0.429    3.1    16       20.4        2.4
  161   6   1   3 41.702  83.405   0.432    3.07   16       10.0        0.6
  162   6   0   4 41.767  83.534   0.432    3.06    8       94.0       24.8
  163   4   0  12 41.808  83.616   0.433    3.06    8       64.7       11.7
  164   5   1   9 41.892  83.783   0.433    3.05   16       14.9        1.2
  165   2   2  14 41.908  83.815   0.434    3.05    8       31.2        2.7
  166   4   2  11 42.07   84.141   0.435    3.03   16       19.8        2.2
  167   5   2   8 42.114  84.228   0.435    3.03   16       76.2       32.3
  168   3   2  13 42.417  84.835   0.438    3.0    16       14.1        1.1
  169   6   1   4 42.43   84.861   0.438    3.0    16      135.8      101.6
  170   4   1  12 42.471  84.943   0.438    3.0    16      115.4       73.2
  171   5   3   6 42.52   85.039   0.439    2.99   16       97.0       51.7
  172   3   0  14 42.571  85.142   0.439    2.99    8      155.2       66.1
  173   6   2   0 42.757  85.513   0.441    2.97    8      232.4      147.4
  174   0   0  16 42.838  85.677   0.441    2.97    2      159.1       17.2
  175   6   2   1 42.86   85.721   0.442    2.96   16        8.4        0.4
  176   2   1  15 42.932  85.864   0.442    2.96   16       24.2        3.2
  177   3   3  12 43.134  86.267   0.444    2.94    8      167.6       76.0
  178   6   2   2 43.172  86.343   0.444    2.94   16      172.9      161.5
  179   4   3  10 43.202  86.404   0.444    2.94   16       19.0        1.9
  180   5   0  10 43.202  86.404   0.444    2.94    8       29.1        2.3
  181   3   1  14 43.233  86.466   0.445    2.94   16       78.1       32.9
  182   6   1   5 43.364  86.728   0.446    2.93   16       10.2        0.6
  183   1   0  16 43.5    87.0     0.447    2.92    8      122.0       39.9
  184   5   4   1 43.522  87.044   0.447    2.92   16        2.5        0.0
  185   6   2   3 43.69   87.379   0.448    2.9    16        3.3        0.1
  186   5   4   2 43.833  87.665   0.45     2.9    16       95.7       48.7
  187   6   0   6 43.843  87.686   0.45     2.89    8       26.0        1.8
  188   5   1  10 43.863  87.726   0.45     2.89   16      198.3      208.9
  189   5   3   7 43.868  87.735   0.45     2.89   16        9.3        0.5
  190   5   2   9 43.878  87.756   0.45     2.89   16       12.2        0.8
  191   4   4   8 44.099  88.199   0.452    2.88    8       59.2        9.3
  192   1   1  16 44.161  88.321   0.452    2.87    8        2.7        0.0
  193   5   4   3 44.35   88.7     0.454    2.86   16       20.3        2.2
  194   6   2   4 44.414  88.829   0.454    2.86   16       86.0       38.9
  195   4   2  12 44.455  88.91    0.455    2.86   16       57.7       17.5
  196   6   1   6 44.503  89.007   0.455    2.85   16      140.9      104.1


  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   0   0   2   4.876   9.751  9.063       9561.3    100.0    100.0     5.6
    2   1   0   2   7.869  15.739  5.62597     3139.9     32.8     32.7     5.6
    3   1   1   0   8.731  17.463  5.0742      1558.9     16.3     16.2     5.6
    4   0   0   4   9.787  19.574  4.5315       589.2      6.2      6.1     5.6
    5   1   1   2  10.019  20.038  4.42749      863.9      9.0      9.0     5.6
    6   1   0   4  11.598  23.195  3.8315      4698.3     49.1     48.7     5.6
    7   2   0   0  12.397  24.794  3.588       3450.1     36.1     35.7     5.6
    8   2   0   2  13.35   26.699  3.33608     4604.9     48.2     47.6     5.6
    9   2   1   1  14.108  28.217  3.16006      267.0      2.8      2.8     5.6
   10   2   1   2  14.751  29.503  3.02515     1945.9     20.4     20.1     5.6
   11   2   0   4  15.892  31.785  2.81299      647.9      6.8      6.7     5.6
   12   1   0   6  16.06   32.121  2.78433      988.0     10.3     10.2     5.6
   13   2   1   4  17.105  34.209  2.61896      747.0      7.8      7.7     5.7
   14   1   1   6  17.262  34.524  2.59578      484.0      5.1      5.0     5.7
   15   2   2   0  17.674  35.349  2.5371       850.2      8.9      8.7     5.7
   16   2   2   2  18.378  36.755  2.44317     1634.3     17.1     16.8     5.7
   17   3   0   2  19.454  38.908  2.3128       527.8      5.5      5.4     5.7
   18   3   1   0  19.843  39.686  2.26925      771.3      8.1      7.9     5.7
   19   0   0   8  19.875  39.75   2.26575      306.0      3.2      3.1     5.7
   20   2   2   4  20.362  40.724  2.21375      290.0      3.0      3.0     5.7
   21   2   1   6  20.498  40.996  2.1997      1520.3     15.9     15.5     5.7
   22   1   0   8  20.886  41.772  2.16061      215.3      2.3      2.2     5.7
   23   3   1   3  21.26   42.519  2.12436      143.8      1.5      1.5     5.7
   24   3   0   4  21.354  42.709  2.11538      850.3      8.9      8.7     5.7
   25   1   1   8  21.859  43.717  2.06887      759.4      7.9      7.7     5.7
   26   3   2   2  23.344  46.687  1.94394      440.6      4.6      4.5     5.7
   27   2   0   8  23.708  47.416  1.91575      102.8      1.1      1.0     5.7
   28   3   0   6  24.252  48.503  1.87532      437.5      4.6      4.4     5.7
   29   2   1   8  24.592  49.185  1.85093      239.2      2.5      2.4     5.7
   30   3   2   4  25.006  50.011  1.82225      736.9      7.7      7.5     5.7
   31   3   1   6  25.122  50.243  1.81439      436.9      4.6      4.4     5.8
   32   4   0   0  25.427  50.854  1.794        460.8      4.8      4.7     5.8
   33   4   0   2  25.957  51.914  1.75985      461.4      4.8      4.7     5.8
   34   4   1   2  26.786  53.573  1.7092       159.9      1.7      1.6     5.8
   35   1   1  10  26.824  53.649  1.70696      623.0      6.5      6.3     5.8
   36   3   3   0  27.091  54.183  1.6914       147.3      1.5      1.5     5.8
   37   4   0   4  27.503  55.005  1.66804      105.5      1.1      1.1     5.8
   38   3   2   6  27.611  55.222  1.662        539.7      5.6      5.4     5.8
   39   4   1   4  28.301  56.601  1.62472      496.5      5.2      5.0     5.8
   40   2   0  10  28.431  56.863  1.61787      178.6      1.9      1.8     5.8
   41   3   1   8  28.713  57.425  1.60336     1507.5     15.8     15.1     5.8
   42   4   2   2  29.177  58.354  1.58003      517.4      5.4      5.2     5.8
   43   4   2   4  30.614  61.228  1.51257      137.4      1.4      1.4     5.8
   44   4   1   6  30.715  61.431  1.50807      212.3      2.2      2.1     5.8
   45   3   2   8  31.007  62.013  1.49529      112.8      1.2      1.1     5.8
   46   1   0  12  31.408  62.816  1.47811      139.0      1.5      1.4     5.9
   47   2   2  10  31.485  62.969  1.47487      191.9      2.0      1.9     5.9
   48   1   1  12  32.145  64.29   1.44772      195.4      2.0      1.9     5.9
   49   4   3   2  32.915  65.83   1.41754      206.0      2.2      2.0     5.9
   50   3   1  10  32.949  65.897  1.41625      673.7      7.0      6.7     5.9
   51   5   1   0  33.184  66.369  1.40733      113.2      1.2      1.1     5.9
   52   4   3   4  34.262  68.524  1.36822      249.4      2.6      2.5     5.9
   53   3   3   8  34.632  69.265  1.35539      214.3      2.2      2.1     5.9
   54   4   3   6  36.455  72.91   1.29635      241.5      2.5      2.4     6.0
   55   5   2   4  37.051  74.102  1.27842      168.6      1.8      1.6     6.0
   56   5   1   6  37.143  74.287  1.2757       132.0      1.4      1.3     6.0
   57   3   1  12  37.777  75.555  1.25741      234.8      2.5      2.3     6.0
   58   4   4   2  37.816  75.633  1.2563       140.6      1.5      1.4     6.0
   59   3   3  10  38.527  77.055  1.23663      196.0      2.1      1.9     6.0
   60   5   2   6  39.182  78.364  1.21921      130.1      1.4      1.3     6.0
   61   2   1  14  39.906  79.813  1.20068      121.3      1.3      1.2     6.0
   62   5   1   8  40.115  80.23   1.19549      240.2      2.5      2.3     6.0
   63   6   0   2  40.514  81.028  1.18572      129.4      1.4      1.2     6.1
   64   6   1   4  42.43   84.861  1.14167      102.7      1.1      1.0     6.1
   65   6   2   0  42.757  85.513  1.13463      147.4      1.5      1.4     6.1
   66   6   2   2  43.172  86.343  1.12584      165.8      1.7      1.6     6.1
   67   5   1  10  43.863  87.726  1.11161      259.4      2.7      2.4     6.2
   68   6   1   6  44.503  89.007  1.09891      104.1      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)