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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METAZEUNERITE

1, f-metazeunerite, DF

Cu[UO(2)](2)[AsO(4)](2).8H(2)O


Tetragonal  * P4(2)/nmc  Z = 2

*P4(2)/nmc

9 .4 .1994

Ref.Str.:

         Hanic F. (1960)

         * Czech. J. Phys., 10, 169-181

Reserv:

         In original - zeunerite.    N.A.D.

                   Initial data from BDM-file 

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

             a =   7.1      alpha =   90.0 
             b =   7.1      beta  =   90.0 
             c =  17.7      gamma =   90.0 

    Unit cell volume (cub. angs.) =   892.26

    Molar volume ( cub.cm/mol.) =   268.72

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

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

   1 0.25    0.25    0.0545   0.0    U     = 1.00
   2 0.75    0.25    0.0      0.0    As    = 1.00
   3 0.25    0.25    0.164    0.0    O     = 1.00
   4 0.25    0.25    0.454    0.0    O     = 1.00
   5 0.25    0.25    0.308    0.0    Cu    = 1.00
   6 0.25    0.556   0.563    0.0    O     = 1.00
   7 0.25    0.556   0.063    0.0    O     = 1.00
   8 0.517   0.111   0.309    0.0    H(2)O = 0.5 , H(2)O = 0.0 
   9 0.517   0.111   0.809    0.0    H(2)O = 0.5 , H(2)O = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.25       0.25       0.0545
     2       2     0.75       0.25       0.0   
     3       3     0.25       0.25       0.164 
     4       4     0.25       0.25       0.454 
     5       5     0.25       0.25       0.308 
     6       6     0.25       0.556      0.563 
     7       7     0.25       0.556      0.063 
     8       8     0.517      0.111      0.309 
     9       9     0.517      0.111      0.809 
    10       1     0.25       0.25       0.5545
    11       2     0.25       0.75       0.5   
    12       3     0.25       0.25       0.664 
    13       4     0.25       0.25       0.954 
    14       5     0.25       0.25       0.808 
    15       6     0.944      0.25       0.063 
    16       6     0.25       0.944      0.563 
    17       6     0.556      0.25       0.063 
    18       7     0.944      0.25       0.563 
    19       7     0.25       0.944      0.063 
    20       7     0.556      0.25       0.563 
    21       8     0.389      0.517      0.809 
    22       8     0.983      0.389      0.309 
    23       8     0.111      0.983      0.809 
    24       9     0.389      0.517      0.309 
    25       9     0.983      0.389      0.809 
    26       9     0.111      0.983      0.309 
    27       8     0.983      0.111      0.309 
    28       9     0.983      0.111      0.809 
    29       8     0.111      0.517      0.809 
    30       8     0.517      0.389      0.309 
    31       8     0.389      0.983      0.809 
    32       9     0.111      0.517      0.309 
    33       9     0.517      0.389      0.809 
    34       9     0.389      0.983      0.309 
    35       1     0.75       0.75       0.9455
    36       2     0.25       0.75       0.0   
    37       3     0.75       0.75       0.836 
    38       4     0.75       0.75       0.546 
    39       5     0.75       0.75       0.692 
    40       6     0.75       0.056      0.437 
    41       7     0.75       0.056      0.937 
    42       8     0.017      0.611      0.691 
    43       9     0.017      0.611      0.191 
    44       1     0.75       0.75       0.4455
    45       2     0.75       0.25       0.5   
    46       3     0.75       0.75       0.336 
    47       4     0.75       0.75       0.046 
    48       5     0.75       0.75       0.192 
    49       6     0.444      0.75       0.937 
    50       6     0.75       0.444      0.437 
    51       6     0.056      0.75       0.937 
    52       7     0.444      0.75       0.437 
    53       7     0.75       0.444      0.937 
    54       7     0.056      0.75       0.437 
    55       8     0.889      0.017      0.191 
    56       8     0.483      0.889      0.691 
    57       8     0.611      0.483      0.191 
    58       9     0.889      0.017      0.691 
    59       9     0.483      0.889      0.191 
    60       9     0.611      0.483      0.691 
    61       8     0.483      0.611      0.691 
    62       9     0.483      0.611      0.191 
    63       8     0.611      0.017      0.191 
    64       8     0.017      0.889      0.691 
    65       8     0.889      0.483      0.191 
    66       9     0.611      0.017      0.691 
    67       9     0.017      0.889      0.191 
    68       9     0.889      0.483      0.691 


X-ray density (g/cm cub.)   =      4.05

MU (1/cm) =     709.419    Mass attenuation coefficient (cm**2/g) =    175.06 

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

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

    1    U                   3.048        6
                                                 1.9382       3
                                                 2.1778       7
                                                 1.7788       4
                                                 2.1778       6
                                                 2.1778       6
                                                 2.1778       7
    2    As                  2.628        4
                                                 1.7722       6
                                                 1.7722       6
                                                 1.7722       7
                                                 1.7722       7
    3    O                   3.432       20
                                                 2.8135       7
                                                 3.3398       8
                                                 2.8136       6
                                                 2.8136       6
                                                 2.8136       7
                                                 3.3398       8
                                                 3.3398       9
                                                 3.3398       9
                                                 3.3398       8
                                                 3.3398       8
                                                 3.3398       9
                                                 3.3398       9
                                                 3.0878       9
                                                 3.0878       8
                                                 3.0878       8
                                                 3.0878       9
                                                 3.0878       9
                                                 3.0878       8
                                                 3.0878       8
                                                 3.0878       9
    4    O                   3.432       12
                                                 2.9056       6
                                                 3.3398       8
                                                 2.9056       6
                                                 2.9056       7
                                                 2.9056       7
                                                 3.3398       8
                                                 3.3398       9
                                                 3.3398       9
                                                 3.3398       8
                                                 3.3398       8
                                                 3.3398       9
                                                 3.3398       9
    5    Cu                  2.976       10
                                                 2.5488       3
                                                 2.5842       4
                                                 2.1373       8
                                                 2.1373       8
                                                 2.1373       9
                                                 2.1373       9
                                                 2.1373       8
                                                 2.1373       8
                                                 2.1373       9
                                                 2.1373       9
    6    O                   3.432        9
                                                 2.9056       4
                                                 2.8135       3
                                                 2.7548       6
                                                 3.0725       7
                                                 3.0725       7
                                                 2.8323       8
                                                 2.9611       7
                                                 2.9611       7
                                                 2.8323       8
    7    O                   3.432        9
                                                 2.8135       3
                                                 2.9056       4
                                                 3.0725       6
                                                 3.0725       6
                                                 2.7548       7
                                                 2.8323       9
                                                 2.9611       6
                                                 2.9611       6
                                                 2.8323       9
    8   H(2)O,H(2)O          3.6         14
                                                 3.3398       3
                                                 3.3398       4
                                                 3.0225       9
                                                 3.0225       9
                                                 3.3086       8
                                                 1.9738       8
                                                 1.2852       9
                                                 2.8323       6
                                                 3.0878       3
                                                 3.4599       7
                                                 3.4327       8
                                                 3.4327       8
                                                 2.6277       9
                                                 2.292        8
    9   H(2)O,H(2)O          3.6         14
                                                 3.3398       3
                                                 3.3398       4
                                                 3.0225       8
                                                 3.0225       8
                                                 3.3086       9
                                                 1.2852       8
                                                 1.9738       9
                                                 3.0878       3
                                                 2.8323       7
                                                 3.4599       6
                                                 2.6277       8
                                                 3.4327       9
                                                 3.4327       9
                                                 2.292        9

  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  4.993   9.986   0.056  261.03    2      314.2     6472.8
    2   1   0   1  6.713  13.426   0.076  143.41    8        0.0        0.0
    3   1   0   2  7.995  15.99    0.09   100.44    8      154.1     2398.0
    4   1   1   0  8.826  17.651   0.1     82.03    4      318.2     4173.6
    5   1   0   3  9.773  19.547   0.11    66.49    8        0.0        0.0
    6   0   0   4 10.025  20.05    0.113   63.09    2      195.0      602.8
    7   1   1   2 10.16   20.32    0.115   61.36    8       44.1      119.8
    8   1   0   4 11.836  23.672   0.133   44.66    8      421.1     7955.6
    9   2   0   0 12.532  25.063   0.141   39.61    4      522.7     5436.8
   10   2   0   1 12.785  25.571   0.144   37.98    8        0.0        0.0
   11   1   1   4 13.417  26.834   0.151   34.3     8       41.4       59.0
   12   2   0   2 13.52   27.04    0.152   33.75    8      334.2     3787.4
   13   1   0   5 14.072  28.144   0.158   31.0     8        0.0        0.0
   14   2   1   1 14.268  28.537   0.16    30.1    16        0.0        0.0
   15   2   0   3 14.669  29.337   0.164   28.37    8        0.0        0.0
   16   2   1   2 14.936  29.871   0.167   27.3    16      114.5      719.8
   17   0   0   6 15.136  30.272   0.169   26.53    2       32.2        6.9
   18   2   1   3 15.991  31.983   0.179   23.57   16        0.0        0.0
   19   2   0   4 16.151  32.303   0.181   23.07    8      164.8      629.6
   20   1   0   6 16.425  32.849   0.184   22.24    8      157.6      555.1
   21   2   1   4 17.373  34.745   0.194   19.69   16      257.4     2621.4
   22   1   1   6 17.629  35.258   0.197   19.07    8      143.5      394.8
   23   2   2   0 17.87   35.74    0.199   18.51    4      473.7     2086.8
   24   2   0   5 17.896  35.792   0.199   18.45    8        0.0        0.0
   25   2   2   2 18.6    37.2     0.207   16.95    8      200.6      685.6
   26   1   0   7 18.867  37.734   0.21    16.43    8        0.0        0.0
   27   2   1   5 19.019  38.038   0.212   16.14   16        0.0        0.0
   28   3   0   1 19.17   38.339   0.213   15.86    8        0.0        0.0
   29   3   0   2 19.689  39.377   0.219   14.95    8      196.8      581.9
   30   2   0   6 19.846  39.693   0.22    14.69    8        0.9        0.0
   31   3   1   0 20.064  40.129   0.223   14.33    8      350.2     1766.2
   32   3   1   1 20.232  40.464   0.224   14.07   16        0.0        0.0
   33   0   0   8 20.374  40.748   0.226   13.85    2      436.1      661.8
   34   3   0   3 20.529  41.058   0.228   13.62    8        0.0        0.0
   35   2   2   4 20.658  41.316   0.229   13.43    8      161.0      349.7
   36   3   1   2 20.729  41.458   0.23    13.33   16       64.3      110.9
   37   2   1   6 20.88   41.76    0.231   13.11   16      136.7      492.3
   38   1   0   8 21.387  42.773   0.237   12.43    8      134.5      226.0
   39   3   1   3 21.535  43.071   0.238   12.24   16        0.0        0.0
   40   3   0   4 21.66   43.32    0.24    12.08    8      375.0     1707.0
   41   2   0   7 21.963  43.926   0.243   11.71    8        0.0        0.0
   42   1   1   8 22.362  44.724   0.247   11.24    8      418.4     1977.6
   43   3   1   4 22.626  45.252   0.25    10.95   16       31.9       22.4
   44   2   1   7 22.919  45.837   0.253   10.63   16        0.0        0.0
   45   3   0   5 23.048  46.097   0.254   10.5     8        0.0        0.0
   46   3   2   1 23.177  46.355   0.255   10.37   16        0.0        0.0
   47   3   2   2 23.624  47.248   0.26     9.93   16       99.3      196.6
   48   2   2   6 23.761  47.521   0.262    9.8     8       83.4       68.4
   49   3   1   5 23.97   47.94    0.264    9.61   16        0.0        0.0
   50   1   0   9 23.98   47.96    0.264    9.6     8        0.0        0.0
   51   2   0   8 24.219  48.439   0.266    9.38    8      223.2      469.7
   52   3   2   3 24.354  48.709   0.268    9.27   16        0.0        0.0
   53   3   0   6 24.662  49.324   0.271    9.0     8      205.4      381.6
   54   2   1   8 25.108  50.217   0.275    8.64   16      122.2      259.3
   55   3   2   4 25.35   50.701   0.278    8.46   16      341.6     1983.2
   56   3   1   6 25.54   51.08    0.28     8.32   16      153.3      392.9
   57   4   0   0 25.719  51.438   0.282    8.18    4      509.2     1066.2
   58   0   0  10 25.797  51.594   0.282    8.13    2      101.6       21.1
   59   4   0   1 25.858  51.715   0.283    8.08    8        0.0        0.0
   60   4   0   2 26.27   52.54    0.287    7.8     8      259.9      529.3
   61   3   0   7 26.474  52.948   0.289    7.66    8        0.0        0.0
   62   3   2   5 26.591  53.181   0.291    7.59   16        0.0        0.0
   63   2   0   9 26.6    53.199   0.291    7.58    8        0.0        0.0
   64   1   0  10 26.648  53.296   0.291    7.55    8       54.6       22.6
   65   4   1   1 26.707  53.414   0.292    7.51   16        0.0        0.0
   66   4   0   3 26.948  53.895   0.294    7.36    8        0.0        0.0
   67   4   1   2 27.11   54.221   0.296    7.26   16       90.9      120.5
   68   3   1   7 27.31   54.62    0.298    7.14   16        0.0        0.0
   69   3   3   0 27.405  54.811   0.299    7.08    4      323.5      372.3
   70   2   1   9 27.433  54.866   0.299    7.07   16        0.0        0.0
   71   1   1  10 27.48   54.96    0.3      7.04    8      272.0      523.3
   72   2   2   8 27.651  55.301   0.301    6.94    8      205.7      295.1
   73   4   1   3 27.774  55.547   0.302    6.87   16        0.0        0.0
   74   4   0   4 27.877  55.754   0.304    6.81    8      143.3      140.6
   75   3   3   2 27.933  55.866   0.304    6.78    8      105.8       76.3
   76   3   2   6 28.054  56.109   0.305    6.72   16      119.2      191.8
   77   3   0   8 28.463  56.926   0.309    6.5     8      115.0       86.4
   78   4   1   4 28.685  57.37    0.312    6.39   16      314.9     1272.5
   79   4   2   0 29.024  58.049   0.315    6.22    8      452.7     1280.5
   80   4   0   5 29.042  58.085   0.315    6.21    8        0.0        0.0
   81   2   0  10 29.096  58.193   0.316    6.18    8      142.8      126.7
   82   4   2   1 29.152  58.304   0.316    6.16   16        0.0        0.0
   83   3   1   8 29.261  58.521   0.317    6.11   16      435.1     2322.8
   84   1   0  11 29.396  58.792   0.319    6.04    8        0.0        0.0
   85   3   3   4 29.479  58.958   0.319    6.0     8       30.5        5.6
   86   4   2   2 29.533  59.066   0.32     5.98   16      190.3      435.1
   87   3   2   7 29.722  59.444   0.322    5.9    16        0.0        0.0
   88   4   1   5 29.83   59.661   0.323    5.85   16        0.0        0.0
   89   2   1  10 29.883  59.767   0.323    5.82   16       30.4       10.8
   90   4   2   3 30.162  60.323   0.326    5.7    16        0.0        0.0
   91   4   0   6 30.428  60.857   0.329    5.59    8        3.0        0.1
   92   3   0   9 30.614  61.228   0.331    5.52    8        0.0        0.0
   93   4   2   4 31.029  62.057   0.335    5.36   16      140.2      211.5
   94   4   1   6 31.195  62.39    0.336    5.29   16      113.4      136.8
   95   3   1   9 31.378  62.755   0.338    5.23   16        0.0        0.0
   96   0   0  12 31.482  62.963   0.339    5.19    2       93.9       11.5
   97   3   2   8 31.578  63.156   0.34     5.15   16      119.0      146.6
   98   2   0  11 31.708  63.415   0.341    5.11    8        0.0        0.0
   99   3   3   6 31.951  63.901   0.344    5.02    8      181.4      166.1
  100   4   0   7 32.02   64.039   0.344    5.0     8        0.0        0.0
  101   4   2   5 32.123  64.246   0.345    4.96   16        0.0        0.0
  102   2   2  10 32.174  64.348   0.346    4.95    8       64.3       20.5
  103   1   0  12 32.234  64.467   0.346    4.93    8      303.4      455.8
  104   2   1  11 32.457  64.914   0.348    4.85   16        0.0        0.0
  105   4   1   7 32.765  65.53    0.351    4.76   16        0.0        0.0
  106   3   0  10 32.918  65.835   0.353    4.71    8       89.5       37.9
  107   4   3   1 32.97   65.939   0.353    4.69   16        0.0        0.0
  108   5   0   1 32.97   65.939   0.353    4.69    8        0.0        0.0
  109   1   1  12 32.977  65.953   0.353    4.69    8      240.4      272.4
  110   4   3   2 33.325  66.65    0.357    4.59   16      143.1      188.9
  111   5   0   2 33.325  66.65    0.357    4.59    8      118.6       64.9
  112   4   2   6 33.434  66.869   0.358    4.56   16       51.2       24.0
  113   5   1   0 33.586  67.173   0.359    4.51    8      216.4      212.5
  114   3   2   9 33.611  67.221   0.359    4.51   16        0.0        0.0
  115   3   1  10 33.653  67.305   0.36     4.49   16      263.1      625.2
  116   5   1   1 33.704  67.408   0.36     4.48   16        0.0        0.0
  117   4   0   8 33.804  67.608   0.361    4.45    8      257.7      297.1
  118   4   3   3 33.913  67.827   0.362    4.42   16        0.0        0.0
  119   5   0   3 33.913  67.827   0.362    4.42    8        0.0        0.0
  120   5   1   2 34.056  68.111   0.364    4.38   16       30.3        8.1
  121   2   0  12 34.437  68.875   0.367    4.28    8       70.4       21.3
  122   4   1   8 34.53   69.059   0.368    4.26   16      114.3      111.9
  123   5   1   3 34.638  69.276   0.369    4.23   16        0.0        0.0
  124   4   3   4 34.729  69.458   0.37     4.21   16      279.3      660.2
  125   5   0   4 34.729  69.458   0.37     4.21    8      258.5      282.8
  126   4   2   7 34.952  69.904   0.372    4.16   16        0.0        0.0
  127   2   1  12 35.157  70.314   0.374    4.11   16      216.1      385.3
  128   1   0  13 35.173  70.347   0.374    4.1     8        0.0        0.0
  129   3   3   8 35.248  70.497   0.375    4.09    8      410.3      691.1
  130   3   0  11 35.371  70.742   0.376    4.06    8        0.0        0.0
  131   5   1   4 35.446  70.892   0.376    4.04   16       25.3        5.2
  132   4   3   5 35.765  71.53    0.379    3.97   16        0.0        0.0
  133   5   0   5 35.765  71.53    0.379    3.97    8        0.0        0.0
  134   4   0   9 35.773  71.546   0.379    3.97    8        0.0        0.0
  135   3   2  10 35.813  71.627   0.38     3.96   16       32.1        8.2
  136   5   2   1 35.863  71.727   0.38     3.95   16        0.0        0.0
  137   3   1  11 36.082  72.165   0.382    3.9    16        0.0        0.0
  138   5   2   2 36.206  72.411   0.383    3.88   16       60.1       28.2
  139   5   1   5 36.473  72.947   0.386    3.82   16        0.0        0.0
  140   4   1   9 36.481  72.962   0.386    3.82   16        0.0        0.0
  141   4   2   8 36.667  73.335   0.388    3.78   16      222.9      377.9
  142   5   2   3 36.773  73.546   0.389    3.76   16        0.0        0.0
  143   4   3   6 37.015  74.03    0.391    3.72   16      166.4      206.9
  144   5   0   6 37.015  74.03    0.391    3.72    8      144.0       77.5
  145   2   2  12 37.28   74.559   0.393    3.67    8       80.5       23.9
  146   2   0  13 37.295  74.591   0.393    3.67    8        0.0        0.0
  147   0   0  14 37.536  75.072   0.395    3.62    2       68.5        4.3
  148   5   2   4 37.562  75.124   0.396    3.62   16      239.8      418.2
  149   5   1   6 37.714  75.428   0.397    3.59   16      108.2       84.5
  150   4   4   0 37.858  75.717   0.398    3.57    4      364.0      237.5
  151   4   0  10 37.921  75.843   0.399    3.56    8      116.5       48.5
  152   3   0  12 37.977  75.954   0.399    3.55    8      285.3      290.2
  153   2   1  13 37.993  75.985   0.4      3.55   16        0.0        0.0
  154   3   2  11 38.185  76.369   0.401    3.51   16        0.0        0.0
  155   1   0  14 38.232  76.464   0.402    3.51    8      133.9       63.2
  156   4   4   2 38.305  76.611   0.402    3.49    8      234.5      193.0
  157   4   3   7 38.472  76.944   0.404    3.47   16        0.0        0.0
  158   5   0   7 38.472  76.944   0.404    3.47    8        0.0        0.0
  159   5   2   5 38.568  77.136   0.405    3.45   16        0.0        0.0
  160   4   2   9 38.575  77.151   0.405    3.45   16        0.0        0.0
  161   4   1  10 38.615  77.23    0.405    3.45   16       27.6        5.3
  162   3   1  12 38.67   77.34    0.406    3.44   16      226.0      352.9
  163   1   1  14 38.924  77.847   0.408    3.4     8      104.8       37.5
  164   5   1   7 39.163  78.325   0.41     3.37   16        0.0        0.0
  165   5   3   0 39.242  78.485   0.411    3.36    8      249.1      209.2
  166   3   3  10 39.305  78.609   0.411    3.35    8      281.8      267.1
  167   5   3   1 39.353  78.706   0.412    3.34   16        0.0        0.0
  168   4   4   4 39.637  79.274   0.414    3.3     8      120.1       47.9
  169   5   3   2 39.685  79.369   0.414    3.3    16       41.1       11.2
  170   5   2   6 39.787  79.573   0.415    3.28   16       88.0       51.1
  171   4   3   8 40.133  80.266   0.418    3.24   16       99.2       64.0
  172   5   0   8 40.133  80.266   0.418    3.24    8      100.7       33.0
  173   5   3   3 40.236  80.471   0.419    3.23   16        0.0        0.0
  174   4   0  11 40.25   80.5     0.419    3.22    8        0.0        0.0
  175   2   0  14 40.297  80.593   0.42     3.22    8       69.5       15.6
  176   6   0   0 40.613  81.225   0.423    3.18    4      412.9      272.5
  177   4   2  10 40.674  81.349   0.423    3.17   16       70.1       31.4
  178   6   0   1 40.722  81.445   0.423    3.17    8        0.0        0.0
  179   3   2  12 40.729  81.458   0.424    3.17   16      265.2      447.7
  180   3   0  13 40.744  81.488   0.424    3.17    8        0.0        0.0
  181   5   1   8 40.816  81.632   0.424    3.16   16      317.0      637.8
  182   4   1  11 40.933  81.865   0.425    3.15   16        0.0        0.0
  183   2   1  14 40.979  81.958   0.426    3.14   16      127.7      102.9
  184   5   3   4 41.004  82.008   0.426    3.14   16       21.6        2.9
  185   6   0   2 41.051  82.103   0.426    3.13    8      221.8      154.8
  186   5   2   7 41.215  82.43    0.428    3.12   16        0.0        0.0
  187   6   1   1 41.403  82.806   0.429    3.1    16        0.0        0.0
  188   3   1  13 41.425  82.85    0.429    3.09   16        0.0        0.0
  189   1   0  15 41.432  82.864   0.43     3.09    8        0.0        0.0
  190   6   0   3 41.598  83.197   0.431    3.08    8        0.0        0.0
  191   6   1   2 41.731  83.462   0.432    3.06   16      105.7       68.7
  192   4   4   6 41.832  83.664   0.433    3.05    8        8.4        0.2
  193   5   3   5 41.988  83.976   0.434    3.04   16        0.0        0.0
  194   4   3   9 41.995  83.991   0.434    3.04   16        0.0        0.0
  195   5   0   9 41.995  83.991   0.434    3.04    8        0.0        0.0
  196   6   1   3 42.277  84.553   0.437    3.01   16        0.0        0.0
  197   6   0   4 42.362  84.724   0.437    3.01    8      118.8       42.6
  198   5   1   9 42.673  85.346   0.44     2.98   16        0.0        0.0
  199   4   0  12 42.765  85.531   0.441    2.97    8       72.6       15.8
  200   5   2   8 42.852  85.703   0.441    2.97   16      103.8       64.3
  201   4   2  11 42.968  85.936   0.442    2.96   16        0.0        0.0
  202   2   2  14 43.014  86.027   0.443    2.95    8       23.7        1.7
  203   6   1   4 43.039  86.077   0.443    2.95   16      249.8      370.1
  204   5   3   6 43.186  86.372   0.444    2.94   16      114.6       77.6
  205   6   2   0 43.326  86.653   0.445    2.93    8      360.0      381.4
  206   6   0   5 43.342  86.683   0.446    2.93    8        0.0        0.0
  207   6   2   1 43.435  86.87    0.446    2.92   16        0.0        0.0
  208   4   1  12 43.441  86.883   0.446    2.92   16      248.7      363.1
  209   3   2  13 43.457  86.913   0.446    2.92   16        0.0        0.0
  210   2   0  15 43.464  86.928   0.447    2.92    8        0.0        0.0
  211   3   0  14 43.689  87.378   0.448    2.9     8      168.0       82.4
  212   6   2   2 43.761  87.522   0.449    2.9    16      189.2      208.5
  213   6   1   5 44.017  88.033   0.451    2.88   16        0.0        0.0
  214   4   3  10 44.062  88.125   0.451    2.88   16       66.0       25.2
  215   5   0  10 44.062  88.125   0.451    2.88    8       47.4        6.5
  216   5   4   1 44.11   88.22    0.452    2.88   16        0.0        0.0
  217   3   3  12 44.116  88.233   0.452    2.88    8      206.9      123.8
  218   0   0  16 44.131  88.262   0.452    2.88    2      350.8       88.9
  219   2   1  15 44.139  88.278   0.452    2.88   16        0.0        0.0
  220   6   2   3 44.304  88.607   0.453    2.87   16        0.0        0.0
  221   3   1  14 44.364  88.728   0.454    2.86   16       81.4       38.2
  222   5   4   2 44.436  88.871   0.454    2.86   16       77.5       34.5
  223   6   0   6 44.536  89.072   0.455    2.85    8        8.7        0.2
  224   5   3   7 44.598  89.196   0.456    2.85   16        0.0        0.0
  225   5   2   9 44.698  89.397   0.457    2.84   16        0.0        0.0
  226   5   1  10 44.737  89.474   0.457    2.84   16      215.0      264.1
  227   1   0  16 44.805  89.611   0.457    2.84    8      180.9       93.3
  228   4   4   8 44.877  89.754   0.458    2.83    8      172.7       85.0
  229   5   4   3 44.978  89.956   0.459    2.83   16        0.0        0.0


  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   4.993   9.986  8.85        6472.8     81.4     82.1     5.6
    2   1   0   2   7.995  15.99   5.53806     2398.0     30.1     30.3     5.6
    3   1   1   0   8.826  17.651  5.02046     4173.6     52.5     52.7     5.6
    4   0   0   4  10.025  20.05   4.425        602.8      7.6      7.6     5.6
    5   1   1   2  10.16   20.32   4.36675      119.8      1.5      1.5     5.6
    6   1   0   4  11.836  23.672  3.75536     7955.6    100.0    100.0     5.6
    7   2   0   0  12.532  25.063  3.55        5436.8     68.3     68.3     5.6
    8   2   0   2  13.52   27.04   3.29481     3787.4     47.6     47.5     5.6
    9   2   1   2  14.936  29.871  2.98868      719.8      9.0      9.0     5.6
   10   2   0   4  16.151  32.303  2.76903      629.6      7.9      7.9     5.6
   11   1   0   6  16.425  32.849  2.72421      555.1      7.0      6.9     5.6
   12   2   1   4  17.373  34.745  2.57978     2621.4     32.9     32.7     5.7
   13   1   1   6  17.629  35.258  2.54342      394.8      5.0      4.9     5.7
   14   2   2   0  17.87   35.74   2.51023     2086.8     26.2     26.0     5.7
   15   2   2   2  18.6    37.2    2.41496      685.6      8.6      8.5     5.7
   16   3   0   2  19.689  39.377  2.28633      581.9      7.3      7.2     5.7
   17   3   1   0  20.064  40.129  2.24522     1766.2     22.2     21.9     5.7
   18   0   0   8  20.374  40.748  2.2125       661.8      8.3      8.2     5.7
   19   2   2   4  20.658  41.316  2.18338      349.7      4.4      4.3     5.7
   20   3   1   2  20.729  41.458  2.17627      110.9      1.4      1.4     5.7
   21   2   1   6  20.88   41.76   2.1612       492.3      6.2      6.1     5.7
   22   1   0   8  21.387  42.773  2.11232      226.0      2.8      2.8     5.7
   23   3   0   4  21.66   43.32   2.08693     1707.0     21.5     21.1     5.7
   24   1   1   8  22.362  44.724  2.02461     1977.6     24.9     24.4     5.7
   25   3   2   2  23.624  47.248  1.92218      196.6      2.5      2.4     5.7
   26   2   0   8  24.219  48.439  1.87768      469.7      5.9      5.8     5.7
   27   3   0   6  24.662  49.324  1.84602      381.6      4.8      4.7     5.7
   28   2   1   8  25.108  50.217  1.81527      259.3      3.3      3.2     5.8
   29   3   2   4  25.35   50.701  1.79908     1983.2     24.9     24.3     5.8
   30   3   1   6  25.54   51.08   1.78662      392.9      4.9      4.8     5.8
   31   4   0   0  25.719  51.438  1.775       1066.2     13.4     13.0     5.8
   32   4   0   2  26.27   52.54   1.74034      529.3      6.7      6.5     5.8
   33   4   1   2  27.11   54.221  1.6903       120.5      1.5      1.5     5.8
   34   3   3   0  27.405  54.811  1.67349      372.3      4.7      4.5     5.8
   35   1   1  10  27.48   54.96   1.66929      523.3      6.6      6.4     5.8
   36   2   2   8  27.651  55.301  1.65981      295.1      3.7      3.6     5.8
   37   4   0   4  27.877  55.754  1.6474       140.6      1.8      1.7     5.8
   38   3   2   6  28.054  56.109  1.63782      191.8      2.4      2.3     5.8
   39   3   0   8  28.463  56.926  1.61623       86.4      1.1      1.0     5.8
   40   4   1   4  28.685  57.37   1.60477     1272.5     16.0     15.5     5.8
   41   4   2   0  29.024  58.049  1.58761     1280.5     16.1     15.5     5.8
   42   2   0  10  29.096  58.193  1.58403      126.7      1.6      1.5     5.8
   43   3   1   8  29.261  58.521  1.57591     2322.8     29.2     28.2     5.8
   44   4   2   2  29.533  59.066  1.56266      435.1      5.5      5.3     5.8
   45   4   2   4  31.029  62.057  1.49434      211.5      2.7      2.5     5.8
   46   4   1   6  31.195  62.39   1.48717      136.8      1.7      1.6     5.8
   47   3   2   8  31.578  63.156  1.47096      146.6      1.8      1.8     5.9
   48   3   3   6  31.951  63.901  1.45558      166.1      2.1      2.0     5.9
   49   1   0  12  32.234  64.467  1.44417      455.8      5.7      5.5     5.9
   50   1   1  12  32.977  65.953  1.41519      272.4      3.4      3.3     5.9
   51   4   3   2  33.325  66.65   1.40207      253.8      3.2      3.0     5.9
   52   5   1   0  33.586  67.173  1.39242      212.5      2.7      2.5     5.9
   53   3   1  10  33.653  67.305  1.39001      625.2      7.9      7.5     5.9
   54   4   0   8  33.804  67.608  1.38451      297.1      3.7      3.6     5.9
   55   4   1   8  34.53   69.059  1.35892      111.9      1.4      1.3     5.9
   56   4   3   4  34.729  69.458  1.35209      943.0     11.9     11.2     5.9
   57   2   1  12  35.157  70.314  1.33771      385.3      4.8      4.6     5.9
   58   3   3   8  35.248  70.497  1.33469      691.1      8.7      8.2     5.9
   59   4   2   8  36.667  73.335  1.28989      377.9      4.7      4.5     6.0
   60   4   3   6  37.015  74.03   1.27949      284.4      3.6      3.4     6.0
   61   5   2   4  37.562  75.124  1.26354      422.4      5.3      5.0     6.0
   62   5   1   6  37.714  75.428  1.2592        84.5      1.1      1.0     6.0
   63   4   4   0  37.858  75.717  1.25511      237.5      3.0      2.8     6.0
   64   3   0  12  37.977  75.954  1.25179      290.2      3.6      3.4     6.0
   65   4   4   2  38.305  76.611  1.24268      193.0      2.4      2.3     6.0
   66   3   1  12  38.67   77.34   1.23277      352.9      4.4      4.1     6.0
   67   5   3   0  39.242  78.485  1.21764      209.2      2.6      2.4     6.0
   68   3   3  10  39.305  78.609  1.21602      267.1      3.4      3.1     6.0
   69   4   3   8  40.133  80.266  1.19504       97.0      1.2      1.1     6.0
   70   6   0   0  40.613  81.225  1.18333      272.5      3.4      3.2     6.1
   71   3   2  12  40.729  81.458  1.18054      447.7      5.6      5.2     6.1
   72   5   1   8  40.816  81.632  1.17847      637.8      8.0      7.4     6.1
   73   2   1  14  40.979  81.958  1.1746       105.8      1.3      1.2     6.1
   74   6   0   2  41.051  82.103  1.1729       154.8      1.9      1.8     6.1
   75   6   1   4  43.039  86.077  1.12863      371.8      4.7      4.3     6.1
   76   6   2   0  43.326  86.653  1.12261      381.4      4.8      4.4     6.1
   77   4   1  12  43.441  86.883  1.12023      363.1      4.6      4.2     6.1
   78   3   0  14  43.689  87.378  1.11514       82.4      1.0      0.9     6.2
   79   6   2   2  43.761  87.522  1.11368      208.5      2.6      2.4     6.2
   80   3   3  12  44.116  88.233  1.10654      212.7      2.7      2.4     6.2
   81   5   1  10  44.737  89.474  1.09438      264.1      3.3      3.0     6.2
   82   1   0  16  44.805  89.611  1.09306       93.3      1.2      1.1     6.2
   83   4   4   8  44.877  89.754  1.09169       85.0      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)