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

2, syn, f-metazeunerite

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


Tetragonal  * P4/n  Z = 2

R =0.023          NR =1447

26 .5 .1904

Ref.Str.:

         A.I. Locock, P.C. Burus (2003)

         * Canad. Mineral., 41, 513-520

Reserv:

         See U(ij) in the original.  N.A.D.

                   Initial data from BDM-file 

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

             a =   7.1094   alpha =   90.0 
             b =   7.1094   beta  =   90.0 
             c =  17.416    gamma =   90.0 

    Unit cell volume (cub. angs.) =   880.27

    Molar volume ( cub.cm/mol.) =   265.11

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

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

   1 0.25    0.25    0.0561   0.0    U     = 1.00
   2 0.25    0.25    0.5545   0.0    U     = 1.00
   3 0.25    0.25    0.3111   0.0    Cu    = 1.00
   4 0.25    0.75    0.0      0.0    As    = 1.00
   5 0.25    0.75    0.5      0.0    As    = 1.00
   6 0.25    0.25    0.4515   0.0    O     = 1.00
   7 0.25    0.25    0.9548   0.0    O     = 1.00
   8 0.25    0.25    0.6562   0.0    O     = 1.00
   9 0.25    0.25    0.1592   0.0    O     = 1.00
  10 0.2938  0.9329  0.058    0.0    O     = 1.00
  11 0.1949  0.9327  0.5572   0.0    O     = 1.00
  12 0.5223  0.2856  0.3096   0.0    H(2)O = 1.00
  13 0.3534  0.5075  0.806    0.0    H(2)O = 1.00
  14 0.378   0.57    0.853    0.0    H     = 1.00
  15 0.577   0.349   0.351    0.0    H     = 1.00
  16 0.575   0.348   0.266    0.0    H     = 1.00
  17 0.218   0.507   0.801    0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.25       0.25       0.0561
     2       2     0.25       0.25       0.5545
     3       3     0.25       0.25       0.3111
     4       4     0.25       0.75       0.0   
     5       5     0.25       0.75       0.5   
     6       6     0.25       0.25       0.4515
     7       7     0.25       0.25       0.9548
     8       8     0.25       0.25       0.6562
     9       9     0.25       0.25       0.1592
    10      10     0.2938     0.9329     0.058 
    11      11     0.1949     0.9327     0.5572
    12      12     0.5223     0.2856     0.3096
    13      13     0.3534     0.5075     0.806 
    14      14     0.378      0.57       0.853 
    15      15     0.577      0.349      0.351 
    16      16     0.575      0.348      0.266 
    17      17     0.218      0.507      0.801 
    18       1     0.75       0.75       0.9439
    19       2     0.75       0.75       0.4455
    20       3     0.75       0.75       0.6889
    21       4     0.75       0.25       0.0   
    22       5     0.75       0.25       0.5   
    23       6     0.75       0.75       0.5485
    24       7     0.75       0.75       0.0452
    25       8     0.75       0.75       0.3438
    26       9     0.75       0.75       0.8408
    27      10     0.7062     0.0671     0.942 
    28      11     0.8051     0.0673     0.4428
    29      12     0.4777     0.7144     0.6904
    30      13     0.6466     0.4925     0.194 
    31      14     0.622      0.43       0.147 
    32      15     0.423      0.651      0.649 
    33      16     0.425      0.652      0.734 
    34      17     0.782      0.493      0.199 
    35      10     0.5671     0.2938     0.058 
    36      10     0.2062     0.5671     0.058 
    37      10     0.9329     0.2062     0.058 
    38      11     0.5673     0.1949     0.5572
    39      11     0.3051     0.5673     0.5572
    40      11     0.9327     0.3051     0.5572
    41      12     0.2144     0.5223     0.3096
    42      12     0.9777     0.2144     0.3096
    43      12     0.2856     0.9777     0.3096
    44      13     0.9925     0.3534     0.806 
    45      13     0.1466     0.9925     0.806 
    46      13     0.5075     0.1466     0.806 
    47      14     0.93       0.378      0.853 
    48      14     0.122      0.93       0.853 
    49      14     0.57       0.122      0.853 
    50      15     0.151      0.577      0.351 
    51      15     0.923      0.151      0.351 
    52      15     0.349      0.923      0.351 
    53      16     0.152      0.575      0.266 
    54      16     0.925      0.152      0.266 
    55      16     0.348      0.925      0.266 
    56      17     0.993      0.218      0.801 
    57      17     0.282      0.993      0.801 
    58      17     0.507      0.282      0.801 
    59      10     0.4329     0.7062     0.942 
    60      10     0.7938     0.4329     0.942 
    61      10     0.0671     0.7938     0.942 
    62      11     0.4327     0.8051     0.4428
    63      11     0.6949     0.4327     0.4428
    64      11     0.0673     0.6949     0.4428
    65      12     0.7856     0.4777     0.6904
    66      12     0.0223     0.7856     0.6904
    67      12     0.7144     0.0223     0.6904
    68      13     0.0075     0.6466     0.194 
    69      13     0.8534     0.0075     0.194 
    70      13     0.4925     0.8534     0.194 
    71      14     0.07       0.622      0.147 
    72      14     0.878      0.07       0.147 
    73      14     0.43       0.878      0.147 
    74      15     0.849      0.423      0.649 
    75      15     0.077      0.849      0.649 
    76      15     0.651      0.077      0.649 
    77      16     0.848      0.425      0.734 
    78      16     0.075      0.848      0.734 
    79      16     0.652      0.075      0.734 
    80      17     0.007      0.782      0.199 
    81      17     0.718      0.007      0.199 
    82      17     0.493      0.718      0.199 


X-ray density (g/cm cub.)   =      3.93

MU (1/cm) =     706.43     Mass attenuation coefficient (cm**2/g) =    179.808

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

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

    1    U                   3.048        6
                                                 1.7642       7
                                                 1.7956       9
                                                 2.276       10
                                                 2.276       10
                                                 2.276       10
                                                 2.276       10
    2    U                   3.048        6
                                                 1.7938       6
                                                 1.7712       8
                                                 2.2901      11
                                                 2.2901      11
                                                 2.2901      11
                                                 2.2901      11
    3    Cu                  2.976        6
                                                 2.4452       6
                                                 2.6455       9
                                                 1.9525      12
                                                 1.9525      12
                                                 1.9525      12
                                                 1.9525      12
    4    As                  2.628        4
                                                 1.6757      10
                                                 1.6757      10
                                                 1.6757      10
                                                 1.6757      10
    5    As                  2.628        4
                                                 1.6831      11
                                                 1.6831      11
                                                 1.6831      11
                                                 1.6831      11
    6    O                   3.432       12
                                                 2.9378      11
                                                 3.1495      12
                                                 3.4226      11
                                                 2.9378      11
                                                 2.9378      11
                                                 2.9378      11
                                                 3.1495      12
                                                 3.1495      12
                                                 3.1495      12
                                                 3.4226      11
                                                 3.4226      11
                                                 3.4226      11
    7    O                   3.432        8
                                                 2.8999      10
                                                 3.2569      13
                                                 2.8999      10
                                                 2.8999      10
                                                 2.8999      10
                                                 3.2569      13
                                                 3.2569      13
                                                 3.2569      13
    8    O                   3.432        8
                                                 2.8662      11
                                                 3.2708      13
                                                 2.8662      11
                                                 2.8662      11
                                                 2.8662      11
                                                 3.2708      13
                                                 3.2708      13
                                                 3.2708      13
    9    O                   3.432       12
                                                 2.8785      10
                                                 3.2669      12
                                                 3.36        13
                                                 2.8785      10
                                                 2.8785      10
                                                 2.8785      10
                                                 3.2669      12
                                                 3.2669      12
                                                 3.2669      12
                                                 3.36        13
                                                 3.36        13
                                                 3.36        13
   10    O                   3.432        8
                                                 2.8999       7
                                                 2.8785       9
                                                 3.2185      10
                                                 2.6741      10
                                                 3.2185      10
                                                 2.7671      10
                                                 2.7671      10
                                                 2.8152      13
   11    O                   3.432        9
                                                 2.9378       6
                                                 2.8662       8
                                                 3.4226       6
                                                 3.2379      11
                                                 2.7133      11
                                                 3.2379      11
                                                 2.766       11
                                                 2.766       11
                                                 2.8251      12
   12    H(2)O               3.6          8
                                                 3.1495       6
                                                 3.2669       9
                                                 3.4398      11
                                                 2.6454      13
                                                 2.7611      12
                                                 3.277       12
                                                 2.7611      12
                                                 2.8251      11
   13    H(2)O               3.6          7
                                                 3.2569       7
                                                 3.2708       8
                                                 3.36         9
                                                 2.6454      12
                                                 2.7899      13
                                                 2.7899      13
                                                 2.8152      10
   14    H                   1.8          1
                                                 0.9477      13
   15    H                   1.8          1
                                                 0.935       12
   16    H                   1.8          2
                                                 0.9559      12
                                                 1.6991      13
   17    H                   1.8          1
                                                 0.9665      13

  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   1  2.535   5.07    0.029 1019.43    2       20.5      111.1
    2   0   0   2  5.075  10.15    0.057  252.63    2      341.4     7599.8
    3   1   0   1  6.721  13.441   0.076  143.07    8       51.4      390.1
    4   0   0   3  7.625  15.25    0.086  110.65    2       41.1       48.3
    5   1   0   2  8.04   16.081   0.091   99.29    8      169.8     2955.2
    6   1   1   0  8.814  17.628   0.099   82.25    4      252.1     2698.6
    7   1   1   1  9.177  18.354   0.104   75.71    8       17.6       24.2
    8   1   0   3  9.864  19.727   0.111   65.24    8       16.9       19.2
    9   0   0   4 10.19   20.38    0.115   60.99    2      190.2      569.5
   10   1   1   2 10.191  20.381   0.115   60.98    8       82.7      430.4
   11   1   1   3 11.694  23.389   0.132   45.8     8       36.2       61.9
   12   1   0   4 11.973  23.946   0.135   43.59    8      386.3     6717.0
   13   2   0   0 12.515  25.03    0.141   39.72    4      505.4     5237.1
   14   0   0   5 12.776  25.552   0.144   38.03    2       48.5       23.1
   15   2   0   1 12.777  25.554   0.144   38.03    8       23.9       22.5
   16   1   1   4 13.535  27.07    0.152   33.67    8       64.7      145.7
   17   2   0   2 13.536  27.072   0.152   33.66    8      341.6     4056.6
   18   1   0   5 14.256  28.512   0.16    30.15    8       18.9       11.2
   19   1   2   1 14.257  28.514   0.16    30.15    8       17.3        9.4
   20   2   1   1 14.257  28.514   0.16    30.15    8       98.9      304.7
   21   2   0   3 14.72   29.439   0.165   28.16    8       57.1       94.9
   22   1   2   2 14.946  29.893   0.167   27.25    8      166.0      774.9
   23   2   1   2 14.946  29.893   0.167   27.25    8      175.4      866.0
   24   0   0   6 15.389  30.778   0.172   25.6     2       15.7        1.6
   25   1   1   5 15.607  31.214   0.175   24.84    8       44.0       49.7
   26   1   2   3 16.035  32.07    0.179   23.43    8       32.0       24.8
   27   2   1   3 16.035  32.07    0.179   23.43    8        2.1        0.1
   28   2   0   4 16.245  32.489   0.182   22.78    8      150.5      532.6
   29   1   0   6 16.657  33.313   0.186   21.58    8      177.1      698.6
   30   1   2   4 17.457  34.914   0.195   19.48    8      215.5      933.7
   31   2   1   4 17.457  34.914   0.195   19.48    8      188.7      716.2
   32   1   1   6 17.844  35.688   0.199   18.57    8      179.9      620.4
   33   2   2   0 17.845  35.691   0.199   18.57    4      374.5     1344.4
   34   0   0   7 18.035  36.07    0.201   18.14    2        7.1        0.2
   35   2   0   5 18.036  36.072   0.201   18.14    8       63.9       76.4
   36   2   2   1 18.037  36.073   0.201   18.14    8       10.9        2.2
   37   2   2   2 18.6    37.2     0.207   16.95    8      300.5     1580.3
   38   1   0   7 19.148  38.296   0.213   15.9     8       35.5       20.7
   39   1   2   5 19.149  38.298   0.213   15.9     8       36.1       21.4
   40   2   1   5 19.149  38.298   0.213   15.9     8        6.7        0.7
   41   3   0   1 19.15   38.299   0.213   15.9     8       75.1       92.6
   42   2   2   3 19.508  39.016   0.217   15.26    8       16.3        4.2
   43   3   0   2 19.686  39.372   0.219   14.95    8      182.1      512.0
   44   2   0   6 20.036  40.071   0.222   14.38    8        6.7        0.7
   45   1   3   0 20.037  40.073   0.222   14.38    4      327.1      794.1
   46   3   1   0 20.037  40.073   0.222   14.38    4      298.9      662.9
   47   1   1   7 20.209  40.417   0.224   14.11    8       12.3        2.2
   48   1   3   1 20.21   40.42    0.224   14.1     8       33.1       16.0
   49   3   1   1 20.21   40.42    0.224   14.1     8        6.8        0.7
   50   3   0   3 20.553  41.107   0.228   13.58    8       26.2        9.6
   51   0   0   8 20.722  41.443   0.23    13.34    2      381.6      501.4
   52   2   2   4 20.723  41.446   0.23    13.34    8      130.6      234.9
   53   1   3   2 20.723  41.447   0.23    13.34    8       97.4      130.7
   54   3   1   2 20.723  41.447   0.23    13.34    8      110.2      167.3
   55   1   2   6 21.059  42.118   0.233   12.87    8      174.7      405.2
   56   2   1   6 21.059  42.118   0.233   12.87    8      184.1      450.0
   57   1   3   3 21.556  43.113   0.238   12.21    8       18.9        4.5
   58   3   1   3 21.556  43.113   0.238   12.21    8       99.9      125.7
   59   1   0   8 21.718  43.437   0.24    12.01    8      118.5      174.2
   60   3   0   4 21.72   43.439   0.24    12.0     8      364.4     1645.3
   61   2   0   7 22.204  44.407   0.245   11.42    8       19.9        4.7
   62   2   2   5 22.204  44.409   0.245   11.42    8       26.3        8.2
   63   1   1   8 22.68   45.359   0.25    10.89    8      370.7     1545.0
   64   1   3   4 22.681  45.362   0.25    10.89    8       43.9       21.7
   65   3   1   4 22.681  45.362   0.25    10.89    8       49.1       27.0
   66   1   2   7 23.149  46.298   0.255   10.4     8        9.9        1.1
   67   2   1   7 23.149  46.298   0.255   10.4     8       67.7       49.2
   68   3   0   5 23.15   46.299   0.255   10.4     8       20.2        4.4
   69   2   3   1 23.15   46.301   0.255   10.39    8       19.2        4.0
   70   3   2   1 23.15   46.301   0.255   10.39    8       41.0       18.0
   71   0   0   9 23.457  46.913   0.258   10.09    2       19.8        1.0
   72   2   3   2 23.612  47.224   0.26     9.94    8      146.6      220.5
   73   3   2   2 23.612  47.224   0.26     9.94    8      164.5      277.7
   74   2   2   6 23.915  47.83    0.263    9.66    8        1.0        0.0
   75   1   3   5 24.066  48.132   0.265    9.52    8        0.5        0.0
   76   3   1   5 24.066  48.132   0.265    9.52    8       98.1       94.5
   77   1   0   9 24.364  48.729   0.268    9.26    8       56.0       29.9
   78   2   3   3 24.366  48.733   0.268    9.26    8       11.6        1.3
   79   3   2   3 24.366  48.733   0.268    9.26    8       33.6       10.8
   80   2   0   8 24.514  49.027   0.269    9.13    8      205.0      396.1
   81   3   0   6 24.81   49.62    0.272    8.88    8      204.3      382.8
   82   1   1   9 25.247  50.495   0.277    8.54    8       12.9        1.5
   83   1   2   8 25.393  50.786   0.278    8.43    8       88.4       68.0
   84   2   1   8 25.393  50.786   0.278    8.43    8       80.7       56.6
   85   2   3   4 25.394  50.788   0.278    8.42    8      293.8      750.6
   86   3   2   4 25.394  50.788   0.278    8.42    8      273.0      648.4
   87   1   3   6 25.682  51.363   0.281    8.21    8      178.5      270.2
   88   3   1   6 25.682  51.363   0.281    8.21    8      187.3      297.4
   89   4   0   0 25.683  51.365   0.281    8.21    4      459.4      894.7
   90   2   2   7 25.825  51.649   0.283    8.11    8        8.3        0.6
   91   4   0   1 25.826  51.652   0.283    8.11    8       19.9        3.3
   92   0   0  10 26.25   52.499   0.287    7.81    2      159.0       51.0
   93   4   0   2 26.252  52.504   0.287    7.81    8      248.8      499.2
   94   3   0   7 26.672  53.345   0.291    7.53    8       51.6       20.7
   95   2   3   5 26.673  53.346   0.291    7.53    8        5.2        0.2
   96   3   2   5 26.673  53.346   0.291    7.53    8       29.5        6.8
   97   1   4   1 26.674  53.347   0.291    7.53    8       15.6        1.9
   98   4   1   1 26.674  53.347   0.291    7.53    8       58.9       27.0
   99   2   0   9 26.95   53.9     0.294    7.36    8       12.1        1.1
  100   4   0   3 26.952  53.904   0.294    7.36    8       55.9       23.7
  101   1   0  10 27.088  54.176   0.296    7.27    8       63.4       30.2
  102   1   4   2 27.091  54.181   0.296    7.27    8      120.7      109.4
  103   4   1   2 27.091  54.181   0.296    7.27    8      111.2       92.8
  104   3   3   0 27.366  54.732   0.298    7.11    4      285.4      298.8
  105   1   3   7 27.502  55.004   0.3      7.03    8       17.0        2.1
  106   3   1   7 27.502  55.004   0.3      7.03    8       13.4        1.3
  107   3   3   1 27.503  55.007   0.3      7.03    8       16.2        1.9
  108   1   2   9 27.774  55.548   0.302    6.87    8       28.4        5.7
  109   2   1   9 27.774  55.548   0.302    6.87    8       73.7       38.6
  110   1   4   3 27.776  55.552   0.302    6.87    8       23.2        3.8
  111   4   1   3 27.776  55.552   0.302    6.87    8        6.7        0.3
  112   1   1  10 27.909  55.819   0.304    6.8     8      303.1      644.3
  113   2   2   8 27.91   55.82    0.304    6.79    8      131.4      121.2
  114   4   0   4 27.911  55.823   0.304    6.79    8      133.2      124.5
  115   3   3   2 27.912  55.823   0.304    6.79    8      106.8       80.1
  116   2   3   6 28.181  56.362   0.307    6.65    8      167.4      192.3
  117   3   2   6 28.181  56.362   0.307    6.65    8      187.3      240.7
  118   3   3   3 28.584  57.167   0.311    6.44    8       48.2       15.5
  119   3   0   8 28.716  57.431   0.312    6.37    8      109.6       79.1
  120   1   4   4 28.717  57.434   0.312    6.37    8      273.7      492.6
  121   4   1   4 28.717  57.434   0.312    6.37    8      284.0      530.4
  122   2   4   0 28.982  57.965   0.315    6.24    4      422.1      573.9
  123   4   2   0 28.982  57.965   0.315    6.24    4      416.2      558.0
  124   0   0  11 29.112  58.223   0.316    6.18    2       27.2        1.2
  125   4   0   5 29.114  58.228   0.316    6.18    8       61.7       24.3
  126   2   4   1 29.114  58.229   0.316    6.18    8       18.8        2.3
  127   4   2   1 29.114  58.229   0.316    6.18    8       45.2       13.0
  128   2   0  10 29.506  59.012   0.32     5.99    8      160.6      159.6
  129   1   3   8 29.507  59.014   0.32     5.99    8      405.1     1015.1
  130   3   1   8 29.507  59.014   0.32     5.99    8      381.5      900.2
  131   3   3   4 29.508  59.016   0.32     5.99    8       37.0        8.5
  132   2   4   2 29.508  59.017   0.32     5.99    8      222.0      305.0
  133   4   2   2 29.508  59.017   0.32     5.99    8      235.2      342.2
  134   1   0  11 29.896  59.792   0.324    5.82    8        3.4        0.1
  135   2   3   7 29.898  59.796   0.324    5.82    8       13.9        1.2
  136   3   2   7 29.898  59.796   0.324    5.82    8       25.8        4.0
  137   1   4   5 29.898  59.797   0.324    5.82    8       30.1        5.4
  138   4   1   5 29.898  59.797   0.324    5.82    8        3.6        0.1
  139   2   2   9 30.156  60.312   0.326    5.71    8        7.8        0.4
  140   2   4   3 30.158  60.315   0.326    5.71    8       50.1       14.8
  141   4   2   3 30.158  60.315   0.326    5.71    8       10.3        0.6
  142   1   2  10 30.284  60.569   0.327    5.65    8       61.6       22.2
  143   2   1  10 30.284  60.569   0.327    5.65    8       65.4       25.0
  144   4   0   6 30.543  61.085   0.33     5.55    8       12.6        0.9
  145   1   1  11 30.668  61.337   0.331    5.5     8       24.2        3.3
  146   3   3   5 30.671  61.341   0.331    5.5     8       54.0       16.6
  147   3   0   9 30.924  61.849   0.334    5.4     8       71.6       28.5
  148   2   4   4 31.053  62.106   0.335    5.35    8      124.9       86.2
  149   4   2   4 31.053  62.106   0.335    5.35    8      124.4       85.4
  150   1   4   6 31.305  62.611   0.337    5.25    8      139.1      104.9
  151   4   1   6 31.305  62.611   0.337    5.25    8      133.3       96.3
  152   1   3   9 31.682  63.364   0.341    5.12    8       33.3        5.9
  153   3   1   9 31.682  63.364   0.341    5.12    8        7.0        0.3
  154   2   3   8 31.808  63.615   0.342    5.07    8       97.9       50.2
  155   3   2   8 31.808  63.615   0.342    5.07    8       92.0       44.3
  156   0   0  12 32.055  64.111   0.345    4.99    2       89.2       10.2
  157   3   3   6 32.058  64.116   0.345    4.99    8      176.7      160.7
  158   2   0  11 32.18   64.361   0.346    4.95    8       32.0        5.2
  159   4   0   7 32.182  64.364   0.346    4.94    8       16.2        1.3
  160   2   4   5 32.183  64.365   0.346    4.94    8       45.8       10.7
  161   4   2   5 32.183  64.365   0.346    4.94    8        9.0        0.4
  162   2   2  10 32.553  65.106   0.349    4.82    8      141.9      100.3
  163   1   0  12 32.798  65.597   0.352    4.75    8      280.4      385.2
  164   1   2  11 32.922  65.844   0.353    4.71    8       13.1        0.8
  165   2   1  11 32.922  65.844   0.353    4.71    8        4.8        0.1
  166   1   4   7 32.924  65.847   0.353    4.71    8        7.0        0.2
  167   4   1   7 32.924  65.847   0.353    4.71    8       48.3       11.3
  168   3   4   1 32.925  65.849   0.353    4.71    8       90.6       39.9
  169   4   3   1 32.925  65.849   0.353    4.71    8       21.0        2.1
  170   5   0   1 32.925  65.849   0.353    4.71    8       50.6       12.5
  171   3   0  10 33.29   66.58    0.356    4.6     8       73.6       25.7
  172   3   4   2 33.292  66.584   0.356    4.6     8      124.5       73.6
  173   4   3   2 33.292  66.584   0.356    4.6     8      136.3       88.2
  174   5   0   2 33.292  66.584   0.356    4.6     8      130.0       80.2
  175   1   1  12 33.533  67.066   0.359    4.53    8      198.8      184.8
  176   2   4   6 33.535  67.071   0.359    4.53    8       17.4        1.4
  177   4   2   6 33.535  67.071   0.359    4.53    8       12.3        0.7
  178   1   5   0 33.536  67.072   0.359    4.53    4      166.9       65.1
  179   5   1   0 33.536  67.072   0.359    4.53    4      208.3      101.4
  180   3   3   7 33.657  67.313   0.36     4.49    8       11.9        0.7
  181   1   5   1 33.658  67.315   0.36     4.49    8       41.3        7.9
  182   5   1   1 33.658  67.315   0.36     4.49    8       12.4        0.7
  183   2   3   9 33.898  67.797   0.362    4.43    8       25.1        2.9
  184   3   2   9 33.898  67.797   0.362    4.43    8       53.6       13.1
  185   3   4   3 33.9    67.8     0.362    4.43    8        3.5        0.1
  186   4   3   3 33.9    67.8     0.362    4.43    8       33.9        5.2
  187   5   0   3 33.9    67.8     0.362    4.43    8       15.3        1.1
  188   1   3  10 34.019  68.038   0.363    4.39    8      301.5      412.4
  189   3   1  10 34.019  68.038   0.363    4.39    8      317.9      458.4
  190   4   0   8 34.02   68.04    0.363    4.39    8      218.6      216.7
  191   1   5   2 34.021  68.042   0.363    4.39    8       87.0       34.3
  192   5   1   2 34.021  68.042   0.363    4.39    8       54.9       13.7
  193   1   5   3 34.623  69.246   0.369    4.24    8       11.3        0.6
  194   5   1   3 34.623  69.246   0.369    4.24    8       38.5        6.5
  195   1   4   8 34.741  69.483   0.37     4.21    8       93.5       38.0
  196   4   1   8 34.741  69.483   0.37     4.21    8       91.4       36.3
  197   3   4   4 34.742  69.485   0.37     4.21    8      260.9      295.7
  198   4   3   4 34.742  69.485   0.37     4.21    8      252.6      277.3
  199   5   0   4 34.742  69.485   0.37     4.21    8      201.9      177.1
  200   2   0  12 34.979  69.957   0.372    4.15    8       44.2        8.4
  201   0   0  13 35.097  70.195   0.373    4.12    2       48.1        2.5
  202   2   2  11 35.098  70.197   0.373    4.12    8       10.7        0.5
  203   2   4   7 35.1    70.2     0.373    4.12    8       18.2        1.4
  204   4   2   7 35.1    70.2     0.373    4.12    8       30.0        3.8
  205   3   3   8 35.456  70.913   0.377    4.04    8      378.2      596.3
  206   1   5   4 35.457  70.915   0.377    4.04    8       44.0        8.1
  207   5   1   4 35.457  70.915   0.377    4.04    8       40.4        6.8
  208   1   2  12 35.691  71.383   0.379    3.99    8      200.0      164.5
  209   2   1  12 35.691  71.383   0.379    3.99    8      184.3      139.8
  210   1   0  13 35.809  71.618   0.38     3.96    8       10.8        0.5
  211   3   0  11 35.81   71.62    0.38     3.96    8       13.4        0.7
  212   3   4   5 35.812  71.625   0.38     3.96    8        4.9        0.1
  213   4   3   5 35.812  71.625   0.38     3.96    8       36.7        5.5
  214   5   0   5 35.812  71.625   0.38     3.96    8       12.4        0.6
  215   2   5   1 35.813  71.626   0.38     3.96    8       32.4        4.3
  216   5   2   1 35.813  71.626   0.38     3.96    8        8.0        0.3
  217   4   0   9 36.047  72.094   0.382    3.91    8       13.2        0.7
  218   2   3  10 36.164  72.329   0.383    3.88    8       62.8       15.8
  219   3   2  10 36.164  72.329   0.383    3.88    8       67.2       18.1
  220   2   5   2 36.166  72.333   0.383    3.88    8      116.6       54.5
  221   5   2   2 36.166  72.333   0.383    3.88    8      111.3       49.7
  222   1   1  13 36.515  73.03    0.386    3.81    8       46.6        8.5
  223   1   3  11 36.516  73.032   0.386    3.81    8        9.3        0.3
  224   3   1  11 36.516  73.032   0.386    3.81    8       58.1       13.3
  225   1   5   5 36.518  73.036   0.386    3.81    8       26.1        2.7
  226   5   1   5 36.518  73.036   0.386    3.81    8       38.3        5.8
  227   1   4   9 36.751  73.502   0.388    3.77    8       30.7        3.7
  228   4   1   9 36.751  73.502   0.388    3.77    8       60.2       14.1
  229   2   5   3 36.753  73.505   0.388    3.77    8        5.4        0.1
  230   5   2   3 36.753  73.505   0.388    3.77    8        7.4        0.2
  231   2   4   8 36.868  73.737   0.389    3.74    8      190.5      140.4
  232   4   2   8 36.868  73.737   0.389    3.74    8      190.6      140.4
  233   3   4   6 37.102  74.204   0.392    3.7     8      147.9       83.6
  234   4   3   6 37.102  74.204   0.392    3.7     8      158.9       96.5
  235   5   0   6 37.102  74.204   0.392    3.7     8      150.3       86.3
  236   3   3   9 37.45   74.9     0.395    3.64    8        9.8        0.4
  237   2   5   4 37.568  75.135   0.396    3.62    8      216.6      175.2
  238   5   2   4 37.568  75.135   0.396    3.62    8      222.9      185.5
  239   2   2  12 37.797  75.593   0.398    3.58    8       28.4        3.0
  240   1   5   6 37.799  75.598   0.398    3.58    8      157.2       91.3
  241   5   1   6 37.799  75.598   0.398    3.58    8      136.8       69.1
  242   4   4   0 37.8    75.599   0.398    3.58    4      354.2      231.7
  243   2   0  13 37.912  75.823   0.399    3.56    8       56.3       11.6
  244   4   4   1 37.915  75.831   0.399    3.56    8       26.5        2.6
  245   0   0  14 38.257  76.515   0.402    3.5     2       84.7        6.5
  246   4   0  10 38.259  76.519   0.402    3.5     8      116.2       48.8
  247   4   4   2 38.262  76.523   0.402    3.5     8      229.3      190.1
  248   3   0  12 38.489  76.978   0.404    3.47    8      276.0      272.6
  249   1   2  13 38.603  77.207   0.405    3.45    8       23.6        2.0
  250   2   1  13 38.603  77.207   0.405    3.45    8       15.5        0.9
  251   2   3  11 38.604  77.209   0.405    3.45    8       17.2        1.1
  252   3   2  11 38.604  77.209   0.405    3.45    8       17.5        1.1
  253   3   4   7 38.606  77.212   0.405    3.45    8       74.1       19.5
  254   4   3   7 38.606  77.212   0.405    3.45    8       11.0        0.4
  255   5   0   7 38.606  77.212   0.405    3.45    8       39.6        5.6
  256   2   5   5 38.606  77.213   0.405    3.45    8        3.7        0.0
  257   5   2   5 38.606  77.213   0.405    3.45    8       17.8        1.1
  258   2   4   9 38.835  77.67    0.407    3.41    8       16.0        0.9
  259   4   2   9 38.835  77.67    0.407    3.41    8       42.2        6.3
  260   4   4   3 38.836  77.673   0.407    3.41    8       58.5       12.1
  261   1   0  14 38.947  77.894   0.408    3.4     8      164.2       94.6
  262   1   4  10 38.949  77.898   0.408    3.4     8       48.4        8.2
  263   4   1  10 38.949  77.898   0.408    3.4     8       43.7        6.7
  264   1   3  12 39.177  78.355   0.41     3.36    8      208.1      150.3
  265   3   1  12 39.177  78.355   0.41     3.36    8      193.1      129.5
  266   3   5   0 39.18   78.361   0.41     3.36    4      197.7       67.9
  267   5   3   0 39.18   78.361   0.41     3.36    4      183.4       58.4
  268   1   5   7 39.294  78.588   0.411    3.35    8       31.4        3.4
  269   5   1   7 39.294  78.588   0.411    3.35    8       12.0        0.5
  270   3   5   1 39.295  78.59    0.411    3.35    8       20.8        1.5
  271   5   3   1 39.295  78.59    0.411    3.35    8        0.3        0.0
  272   1   1  14 39.633  79.267   0.414    3.3     8       70.7       17.0
  273   3   3  10 39.635  79.271   0.414    3.3     8      293.2      293.0
  274   4   4   4 39.637  79.274   0.414    3.3     8      108.4       40.0
  275   3   5   2 39.637  79.275   0.414    3.3     8       67.4       15.5
  276   5   3   2 39.637  79.275   0.414    3.3     8       74.7       19.0
  277   2   5   6 39.865  79.73    0.416    3.27    8      141.6       67.7
  278   5   2   6 39.865  79.73    0.416    3.27    8      132.3       59.1
  279   3   5   3 40.207  80.413   0.419    3.23    8       46.1        7.1
  280   5   3   3 40.207  80.413   0.419    3.23    8        8.8        0.3
  281   3   4   8 40.319  80.638   0.42     3.22    8       84.3       23.6
  282   4   3   8 40.319  80.638   0.42     3.22    8       86.6       24.9
  283   5   0   8 40.319  80.638   0.42     3.22    8       74.9       18.6
  284   6   0   0 40.548  81.095   0.422    3.19    4      338.1      188.2
  285   2   2  13 40.658  81.315   0.423    3.18    8       33.6        3.7
  286   4   0  11 40.659  81.317   0.423    3.18    8       37.7        4.7
  287   4   4   5 40.661  81.321   0.423    3.18    8       67.2       14.8
  288   6   0   1 40.661  81.322   0.423    3.18    8       14.0        0.6
  289   2   0  14 40.997  81.994   0.426    3.14    8       82.8       22.2
  290   2   4  10 40.999  81.998   0.426    3.14    8      105.8       36.3
  291   4   2  10 40.999  81.998   0.426    3.14    8      112.3       40.9
  292   1   5   8 41.0    81.999   0.426    3.14    8      276.9      248.5
  293   5   1   8 41.0    81.999   0.426    3.14    8      307.4      306.2
  294   3   5   4 41.001  82.001   0.426    3.14    8       37.1        4.5
  295   5   3   4 41.001  82.001   0.426    3.14    8       36.4        4.3
  296   6   0   2 41.001  82.002   0.426    3.14    8      246.7      197.1
  297   2   3  12 41.224  82.449   0.428    3.11    8      235.1      177.7
  298   3   2  12 41.224  82.449   0.428    3.11    8      225.4      163.3
  299   3   0  13 41.337  82.674   0.429    3.1     8        7.1        0.2
  300   1   4  11 41.338  82.676   0.429    3.1     8        5.8        0.1
  301   4   1  11 41.338  82.676   0.429    3.1     8        2.2        0.0
  302   2   5   7 41.339  82.679   0.429    3.1     8       25.6        2.1
  303   5   2   7 41.339  82.679   0.429    3.1     8       13.2        0.6
  304   1   6   1 41.34   82.681   0.429    3.1     8       21.8        1.5
  305   6   1   1 41.34   82.681   0.429    3.1     8       48.7        7.6
  306   0   0  15 41.562  83.123   0.431    3.08    2        3.1        0.0
  307   6   0   3 41.566  83.132   0.431    3.08    8       43.2        5.9
  308   1   2  14 41.675  83.35    0.432    3.07    8      159.7       80.8
  309   2   1  14 41.675  83.35    0.432    3.07    8      170.1       91.7
  310   1   6   2 41.679  83.358   0.432    3.07    8      153.8       74.9
  311   6   1   2 41.679  83.358   0.432    3.07    8      129.4       53.1
  312   4   4   6 41.904  83.808   0.434    3.05    8        4.3        0.1
  313   1   3  13 42.014  84.028   0.434    3.04    8       23.6        1.7
  314   3   1  13 42.014  84.028   0.434    3.04    8       71.3       15.9
  315   3   3  11 42.015  84.03    0.434    3.04    8       30.5        2.9
  316   3   5   5 42.017  84.034   0.434    3.04    8       55.1        9.5
  317   5   3   5 42.017  84.034   0.434    3.04    8       13.2        0.5
  318   1   0  15 42.238  84.476   0.436    3.02    8       26.3        2.2
  319   3   4   9 42.241  84.482   0.436    3.02    8       79.6       19.8
  320   4   3   9 42.241  84.482   0.436    3.02    8       39.8        4.9
  321   5   0   9 42.241  84.482   0.436    3.02    8       56.3        9.9
  322   1   6   3 42.243  84.485   0.436    3.02    8       33.5        3.5
  323   6   1   3 42.243  84.485   0.436    3.02    8        2.4        0.0
  324   6   0   4 42.355  84.71    0.437    3.01    8      104.8       34.1
  325   1   1  15 42.913  85.826   0.442    2.96    8        5.8        0.1
  326   1   5   9 42.916  85.832   0.442    2.96    8       32.0        3.1
  327   5   1   9 42.916  85.832   0.442    2.96    8       10.7        0.4
  328   2   5   8 43.029  86.058   0.443    2.95    8       76.0       17.6
  329   5   2   8 43.029  86.058   0.443    2.95    8       81.4       20.2
  330   1   6   4 43.03   86.06    0.443    2.95    8      211.6      136.5
  331   6   1   4 43.03   86.06    0.443    2.95    8      250.1      190.6
  332   4   0  12 43.252  86.504   0.445    2.94    8       52.1        8.2
  333   3   5   6 43.254  86.508   0.445    2.93    8      135.9       55.9
  334   5   3   6 43.254  86.508   0.445    2.93    8      144.8       63.5
  335   2   6   0 43.255  86.51    0.445    2.93    4      358.6      194.8
  336   6   2   0 43.255  86.51    0.445    2.93    4      349.4      184.9
  337   2   4  11 43.365  86.729   0.446    2.93    8       36.4        4.0
  338   4   2  11 43.365  86.729   0.446    2.93    8        8.8        0.2
  339   4   4   7 43.366  86.732   0.446    2.93    8       27.5        2.3
  340   6   0   5 43.367  86.733   0.446    2.93    8       51.3        7.9
  341   2   6   1 43.367  86.734   0.446    2.93    8        1.2        0.0
  342   6   2   1 43.367  86.734   0.446    2.93    8       20.4        1.3
  343   2   2  14 43.7    87.4     0.448    2.9     8       79.8       19.1
  344   2   6   2 43.704  87.408   0.448    2.9     8      228.6      156.6
  345   6   2   2 43.704  87.408   0.448    2.9     8      230.2      158.8
  346   1   4  12 43.925  87.851   0.45     2.89    8      225.4      151.6
  347   4   1  12 43.925  87.851   0.45     2.89    8      231.1      159.3
  348   2   3  13 44.037  88.074   0.451    2.88    8        1.4        0.0
  349   3   2  13 44.037  88.074   0.451    2.88    8       15.3        0.7
  350   1   6   5 44.04   88.08    0.451    2.88    8       32.2        3.1
  351   6   1   5 44.04   88.08    0.451    2.88    8        6.2        0.1
  352   4   5   1 44.04   88.081   0.451    2.88    8       34.1        3.5
  353   5   4   1 44.04   88.081   0.451    2.88    8       44.2        5.8
  354   2   0  15 44.26   88.52    0.453    2.87    8       11.4        0.4
  355   2   6   3 44.265  88.529   0.453    2.87    8       15.0        0.7
  356   6   2   3 44.265  88.529   0.453    2.87    8       17.1        0.9
  357   3   0  14 44.373  88.746   0.454    2.86    8      185.2      101.4
  358   3   4  10 44.375  88.75    0.454    2.86    8       49.2        7.1
  359   4   3  10 44.375  88.75    0.454    2.86    8       56.0        9.3
  360   5   0  10 44.375  88.75    0.454    2.86    8       51.3        7.8
  361   4   5   2 44.377  88.754   0.454    2.86    8      119.8       42.4
  362   5   4   2 44.377  88.754   0.454    2.86    8      112.7       37.5
  363   3   3  12 44.598  89.196   0.456    2.85    8      192.2      108.7
  364   6   0   6 44.6    89.201   0.456    2.85    8       22.8        1.5
  365   3   5   7 44.712  89.424   0.457    2.84    8       21.4        1.3
  366   5   3   7 44.712  89.424   0.457    2.84    8        6.5        0.1
  367   1   2  15 44.933  89.866   0.458    2.83    8        1.7        0.0
  368   2   1  15 44.933  89.866   0.458    2.83    8       39.2        4.5
  369   2   5   9 44.936  89.872   0.458    2.83    8       40.1        4.7
  370   5   2   9 44.936  89.872   0.458    2.83    8        5.0        0.1
  371   4   5   3 44.937  89.874   0.458    2.83    8       48.7        6.9
  372   5   4   3 44.937  89.874   0.458    2.83    8       11.0        0.4


  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   1   2.535   5.07  17.416        111.1      1.5      1.5     5.5
    2   0   0   2   5.075  10.15   8.708       7599.8    100.0    100.0     5.6
    3   1   0   1   6.721  13.441  6.58211      390.1      5.1      5.1     5.6
    4   1   0   2   8.04   16.081  5.50712     2955.2     38.9     38.7     5.6
    5   1   1   0   8.814  17.628  5.02711     2698.6     35.5     35.3     5.6
    6   0   0   4  10.19   20.38   4.354        999.9     13.2     13.1     5.6
    7   1   0   4  11.973  23.946  3.71301     6717.0     88.4     87.6     5.6
    8   2   0   0  12.515  25.03   3.5547      5237.1     68.9     68.2     5.6
    9   2   0   2  13.536  27.072  3.29106     4202.3     55.3     54.7     5.6
   10   2   1   1  14.257  28.514  3.12773      325.2      4.3      4.2     5.6
   11   2   0   3  14.72   29.439  3.03153       94.9      1.2      1.2     5.6
   12   2   1   2  14.946  29.893  2.98658     1640.9     21.6     21.3     5.6
   13   2   0   4  16.245  32.489  2.75356      532.6      7.0      6.9     5.6
   14   1   0   6  16.657  33.313  2.68731      698.6      9.2      9.0     5.6
   15   1   2   4  17.457  34.914  2.5677      1649.9     21.7     21.3     5.7
   16   2   2   0  17.845  35.691  2.51355     1964.9     25.9     25.4     5.7
   17   2   0   5  18.036  36.072  2.48789       78.6      1.0      1.0     5.7
   18   2   2   2  18.6    37.2    2.41496     1580.3     20.8     20.4     5.7
   19   3   0   1  19.15   38.299  2.34816      135.5      1.8      1.7     5.7
   20   3   0   2  19.686  39.372  2.28664      512.0      6.7      6.6     5.7
   21   1   3   0  20.037  40.073  2.24819     1457.0     19.2     18.7     5.7
   22   0   0   8  20.722  41.443  2.177       1034.3     13.6     13.3     5.7
   23   2   1   6  21.059  42.118  2.14367      855.2     11.3     11.0     5.7
   24   3   1   3  21.556  43.113  2.09647      130.2      1.7      1.7     5.7
   25   3   0   4  21.72   43.439  2.08146     1819.5     23.9     23.3     5.7
   26   1   1   8  22.68   45.359  1.99772     1593.7     21.0     20.4     5.7
   27   3   2   1  23.15   46.301  1.95928       76.6      1.0      1.0     5.7
   28   3   2   2  23.612  47.224  1.92311      498.2      6.6      6.4     5.7
   29   3   1   5  24.066  48.132  1.88891       94.5      1.2      1.2     5.7
   30   2   0   8  24.514  49.027  1.85651      396.1      5.2      5.0     5.7
   31   3   0   6  24.81   49.62   1.83571      382.8      5.0      4.9     5.7
   32   3   2   4  25.394  50.788  1.79619     1523.6     20.0     19.4     5.8
   33   4   0   0  25.683  51.365  1.77735     1462.2     19.2     18.6     5.8
   34   4   0   2  26.252  52.504  1.74145      550.2      7.2      7.0     5.8
   35   4   1   2  27.091  54.181  1.69144      232.4      3.1      2.9     5.8
   36   3   3   0  27.366  54.732  1.6757       298.8      3.9      3.8     5.8
   37   1   1  10  27.909  55.819  1.64564      970.1     12.8     12.2     5.8
   38   3   2   6  28.181  56.362  1.63106      433.0      5.7      5.5     5.8
   39   4   1   4  28.717  57.434  1.60315     1102.0     14.5     13.9     5.8
   40   2   4   0  28.982  57.965  1.58971     1132.0     14.9     14.3     5.8
   41   4   2   2  29.508  59.017  1.56386     2730.6     35.9     34.3     5.8
   42   2   4   4  31.053  62.106  1.49329      171.6      2.3      2.1     5.8
   43   1   4   6  31.305  62.611  1.48245      201.2      2.6      2.5     5.8
   44   2   3   8  31.808  63.615  1.46144       94.5      1.2      1.2     5.9
   45   3   3   6  32.058  64.116  1.45123      170.9      2.2      2.1     5.9
   46   2   2  10  32.553  65.106  1.43154      100.3      1.3      1.2     5.9
   47   1   0  12  32.798  65.597  1.42201      385.2      5.1      4.8     5.9
   48   5   0   2  33.292  66.584  1.4033       267.6      3.5      3.3     5.9
   49   1   1  12  33.533  67.066  1.39439      353.4      4.6      4.4     5.9
   50   3   1  10  34.019  68.038  1.37681     1135.4     14.9     14.1     5.9
   51   5   0   4  34.742  69.485  1.35163      824.3     10.8     10.2     5.9
   52   3   3   8  35.456  70.913  1.32788      611.2      8.0      7.5     5.9
   53   1   2  12  35.691  71.383  1.32028      304.4      4.0      3.7     5.9
   54   5   2   2  36.166  72.333  1.30527      138.2      1.8      1.7     5.9
   55   4   2   8  36.868  73.737  1.28385      280.8      3.7      3.4     6.0
   56   5   0   6  37.102  74.204  1.27691      266.3      3.5      3.3     6.0
   57   5   2   4  37.568  75.135  1.26338      360.7      4.7      4.4     6.0
   58   4   4   0  37.8    75.599  1.25678      395.1      5.2      4.8     6.0
   59   4   4   2  38.262  76.523  1.24389      245.4      3.2      3.0     6.0
   60   3   0  12  38.489  76.978  1.23767      272.6      3.6      3.3     6.0
   61   1   0  14  38.947  77.894  1.22538      109.5      1.4      1.3     6.0
   62   1   3  12  39.177  78.355  1.21933      406.1      5.3      4.9     6.0
   63   5   3   2  39.637  79.275  1.20747      384.6      5.1      4.7     6.0
   64   2   5   6  39.865  79.73   1.20173      126.8      1.7      1.5     6.0
   65   6   0   0  40.548  81.095  1.1849       188.2      2.5      2.3     6.1
   66   6   0   2  41.001  82.002  1.17408      859.9     11.3     10.4     6.1
   67   2   3  12  41.224  82.449  1.16885      341.0      4.5      4.1     6.1
   68   2   1  14  41.675  83.35   1.15848      300.5      4.0      3.6     6.1
   69   6   1   4  43.03   86.06   1.12881      364.9      4.8      4.4     6.1
   70   6   2   0  43.255  86.51   1.12409      507.4      6.7      6.0     6.1
   71   6   2   2  43.704  87.408  1.11484      334.5      4.4      4.0     6.2
   72   4   1  12  43.925  87.851  1.11036      310.8      4.1      3.7     6.2
   73   3   0  14  44.373  88.746  1.10146      205.5      2.7      2.4     6.2
   74   3   3  12  44.598  89.196  1.09706      110.3      1.5      1.3     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)