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

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

1, DN

K(2)Ca(2)Cu[SO(4)](4).2H(2)O


Monoclinic  C 2/c  Z = 2

C2/c

9 .12 .1902

Ref.Str.:

         Menchetti S., Bindi L., Bonazzi P., Olmi F. (2002)

         * Amer. Mineral., 87, 721-725

Reserv:

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

                   Initial data from BDM-file 

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

             a =  11.654    alpha =   90.0 
             b =   7.497    beta  =  125.21
             c =  10.097    gamma =   90.0 

    Unit cell volume (cub. angs.) =   720.78

    Molar volume ( cub.cm/mol.) =   217.08

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

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

   1 0.5889  0.6223  0.4264   0.0    K     = 0.5 , H(2)O = 0.5 
   2 0.5     0.1261  0.25     0.0    Ca    = 1.00
   3 0.25    0.75    0.0      0.0    Cu    = 0.37, Cu    = 0.0 
   4 0.0     0.0     0.0      0.0    Cu    = 0.31, Cu    = 0.0 
   5 0.6935  0.1228  0.6374   0.0    S     = 1.00
   6 0.8544  0.5914  0.7579   0.0    O     = 1.00
   7 0.6599  0.9683  0.529    0.0    O     = 1.00
   8 0.6546  0.6558  0.7624   0.0    O     = 1.00
   9 0.6163  0.276   0.5289   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.5889     0.6223     0.4264
     2       2     0.5        0.1261     0.25  
     3       3     0.25       0.75       0.0   
     4       4     0.0        0.0        0.0   
     5       5     0.6935     0.1228     0.6374
     6       6     0.8544     0.5914     0.7579
     7       7     0.6599     0.9683     0.529 
     8       8     0.6546     0.6558     0.7624
     9       9     0.6163     0.276      0.5289
    10       1     0.4111     0.3777     0.5736
    11       2     0.5        0.8739     0.75  
    12       3     0.75       0.25       0.0   
    13       5     0.3065     0.8772     0.3626
    14       6     0.1456     0.4086     0.2421
    15       7     0.3401     0.0317     0.471 
    16       8     0.3454     0.3442     0.2376
    17       9     0.3837     0.724      0.4711
    18       1     0.5889     0.3777     0.9264
    19       3     0.25       0.25       0.5   
    20       4     0.0        0.0        0.5   
    21       5     0.6935     0.8772     0.1374
    22       6     0.8544     0.4086     0.2579
    23       7     0.6599     0.0317     0.029 
    24       8     0.6546     0.3442     0.2624
    25       9     0.6163     0.724      0.0289
    26       1     0.4111     0.6223     0.0736
    27       3     0.75       0.75       0.5   
    28       5     0.3065     0.1228     0.8626
    29       6     0.1456     0.5914     0.7421
    30       7     0.3401     0.9683     0.971 
    31       8     0.3454     0.6558     0.7376
    32       9     0.3837     0.276      0.9711
    33       1     0.0889     0.8777     0.9264
    34       2     0.0        0.3739     0.75  
    35       4     0.5        0.5        0.5   
    36       5     0.1935     0.3772     0.1374
    37       6     0.3544     0.9086     0.2579
    38       7     0.1599     0.5317     0.029 
    39       8     0.1546     0.8442     0.2624
    40       9     0.1163     0.224      0.0289
    41       1     0.9111     0.1223     0.0736
    42       2     0.0        0.6261     0.25  
    43       5     0.8065     0.6228     0.8626
    44       6     0.6456     0.0914     0.7421
    45       7     0.8401     0.4683     0.971 
    46       8     0.8454     0.1558     0.7376
    47       9     0.8837     0.776      0.9711
    48       1     0.0889     0.1223     0.4264
    49       4     0.5        0.5        0.0   
    50       5     0.1935     0.6228     0.6374
    51       6     0.3544     0.0914     0.7579
    52       7     0.1599     0.4683     0.529 
    53       8     0.1546     0.1558     0.7624
    54       9     0.1163     0.776      0.5289
    55       1     0.9111     0.8777     0.5736
    56       5     0.8065     0.3772     0.3626
    57       6     0.6456     0.9086     0.2421
    58       7     0.8401     0.5317     0.471 
    59       8     0.8454     0.8442     0.2376
    60       9     0.8837     0.224      0.4711


X-ray density (g/cm cub.)   =      3.06

MU (1/cm) =     200.478    Mass attenuation coefficient (cm**2/g) =     65.446

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

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

    1   K    ,H(2)O          3.6         11
                                                 2.9813       6
                                                 2.7383       7
                                                 3.0271       8
                                                 2.7445       9
                                                 3.1298       8
                                                 2.7836       9
                                                 3.0228       8
                                                 1.8314       4
                                                 3.0998       6
                                                 3.1503       6
                                                 2.7774       7
    2    Ca                  3.048        8
                                                 2.5989       7
                                                 2.5746       9
                                                 2.3823       8
                                                 2.3823       8
                                                 2.5989       7
                                                 2.5746       9
                                                 2.3876       6
                                                 2.3876       6
    3   Cu   ,Cu             2.976        4
                                                 2.4539       6
                                                 2.0546       7
                                                 2.4539       6
                                                 2.0546       7
    4   Cu   ,Cu             3.336        4
                                                 2.475        8
                                                 2.0703       9
                                                 2.475        8
                                                 2.0703       9
    5    S                   2.148        4
                                                 1.4828       7
                                                 1.4806       9
                                                 1.4714       6
                                                 1.4674       8
    6    O                   3.432        7
                                                 2.4039       8
                                                 3.3524       9
                                                 3.0217       7
                                                 2.4337       7
                                                 3.27         8
                                                 2.4121       9
                                                 2.8395       7
    7    O                   3.432        6
                                                 3.3488       8
                                                 2.362        9
                                                 3.0217       6
                                                 2.4337       6
                                                 2.4156       8
                                                 2.8395       6
    8    O                   3.432        8
                                                 2.4039       6
                                                 3.3488       7
                                                 2.8586       9
                                                 3.0144       9
                                                 2.475        4
                                                 3.27         6
                                                 2.4156       7
                                                 2.4276       9
    9    O                   3.432        7
                                                 3.3524       6
                                                 2.362        7
                                                 2.8586       8
                                                 3.0144       8
                                                 2.0703       4
                                                 2.4121       6
                                                 2.4276       8

  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   1   1   0  7.514  15.028   0.085  114.0     4       23.8       49.8
    2   1   1  -1  7.516  15.032   0.085  113.95    4       17.7       27.6
    3   2   0   0  9.311  18.622   0.105   73.48    2       34.7       34.1
    4   2   0  -2  9.317  18.633   0.105   73.38    2       22.0       13.6
    5   1   1   1 10.709  21.418   0.121   55.02    4        5.6        1.3
    6   1   1  -2 10.713  21.425   0.121   54.98    4       16.5       11.6
    7   0   0   2 10.763  21.525   0.121   54.45    2       33.4       23.4
    8   0   2   0 11.858  23.716   0.133   44.48    2        0.4        0.0
    9   0   2   1 13.045  26.089   0.147   36.4     4       64.4      116.1
   10   3   1  -1 13.187  26.374   0.148   35.58    4       84.4      195.2
   11   3   1  -2 13.19   26.38    0.148   35.56    4       74.6      152.5
   12   2   2  -1 14.143  28.285   0.159   30.67    4      244.6     1412.5
   13   2   2   0 15.161  30.323   0.17    26.43    4       40.8       33.9
   14   2   2  -2 15.165  30.33    0.17    26.42    4       45.4       41.8
   15   1   1   2 15.273  30.547   0.171   26.02    4      209.7      881.0
   16   1   1  -3 15.278  30.556   0.171   26.0     4      214.2      918.1
   17   3   1   0 15.28   30.561   0.171   25.99    4       96.1      184.8
   18   3   1  -3 15.288  30.577   0.171   25.96    4       99.5      197.9
   19   4   0  -2 15.33   30.661   0.172   25.81    2      182.2      330.0
   20   0   2   2 16.121  32.242   0.18    23.16    4        6.4        0.7
   21   2   2   1 17.907  35.814   0.2     18.43    4       80.3       91.5
   22   2   2  -3 17.913  35.827   0.2     18.41    4       77.4       85.0
   23   2   0   2 18.039  36.078   0.201   18.13    2       48.7       16.6
   24   2   0  -4 18.048  36.096   0.201   18.11    2       46.7       15.2
   25   1   3   0 18.583  37.166   0.207   16.99    4        8.2        0.9
   26   1   3  -1 18.584  37.167   0.207   16.98    4       10.1        1.3
   27   3   1   1 18.842  37.684   0.21    16.48    4       73.2       68.0
   28   3   1  -4 18.853  37.706   0.21    16.45    4       82.2       85.7
   29   4   0   0 18.88   37.76    0.21    16.4     2       55.5       19.4
   30   4   0  -4 18.892  37.784   0.21    16.38    2       53.1       17.8
   31   4   2  -2 19.563  39.127   0.217   15.16    4        9.4        1.0
   32   1   3   1 20.178  40.356   0.224   14.15    4       16.6        3.0
   33   1   3  -2 20.18   40.36    0.224   14.15    4       13.1        1.9
   34   0   2   3 20.329  40.657   0.226   13.92    4       63.0       42.6
   35   4   2  -1 20.339  40.679   0.226   13.91    4       90.6       87.9
   36   4   2  -3 20.345  40.69    0.226   13.9     4       92.4       91.3
   37   1   1   3 20.417  40.834   0.226   13.79    4       34.4       12.6
   38   1   1  -4 20.422  40.843   0.226   13.78    4       42.2       18.9
   39   5   1  -2 20.438  40.875   0.227   13.76    4       38.8       15.9
   40   5   1  -3 20.441  40.882   0.227   13.75    4       36.7       14.2
   41   3   3  -1 21.682  43.364   0.24    12.05    4       28.3        7.4
   42   3   3  -2 21.684  43.368   0.24    12.05    4       13.7        1.8
   43   2   2   2 21.817  43.634   0.241   11.88    4       40.8       15.2
   44   2   2  -4 21.825  43.649   0.241   11.87    4       35.1       11.2
   45   5   1  -1 21.917  43.835   0.242   11.76    4       40.7       15.0
   46   5   1  -4 21.927  43.854   0.242   11.75    4       41.9       15.9
   47   0   0   4 21.931  43.861   0.242   11.75    2      152.2      104.8
   48   4   2   0 22.539  45.079   0.249   11.04    4        2.8        0.1
   49   4   2  -4 22.55   45.099   0.249   11.03    4       19.7        3.3
   50   1   3   2 23.093  46.187   0.255   10.45    4      110.8       98.8
   51   1   3  -3 23.097  46.193   0.255   10.45    4      113.8      104.2
   52   3   3   0 23.098  46.197   0.255   10.45    4       95.2       73.0
   53   3   3  -3 23.104  46.208   0.255   10.44    4       98.0       77.1
   54   3   1   2 23.31   46.621   0.257   10.23    4       89.0       62.4
   55   3   1  -5 23.324  46.647   0.257   10.22    4       95.1       71.1
   56   6   0  -2 24.039  48.078   0.264    9.54    2       77.8       22.2
   57   6   0  -4 24.046  48.093   0.264    9.54    2       63.1       14.6
   58   0   4   0 24.266  48.533   0.267    9.34    2      134.9       65.4
   59   5   1   0 24.666  49.332   0.271    9.0     4      118.5       97.4
   60   5   1  -5 24.681  49.362   0.271    8.99    4      111.5       86.1
   61   0   4   1 24.926  49.853   0.274    8.79    4        3.8        0.1
   62   0   2   4 25.232  50.464   0.277    8.55    4        7.8        0.4
   63   2   4  -1 25.577  51.153   0.28     8.29    4        4.3        0.1
   64   3   3   1 25.751  51.502   0.282    8.16    4      211.9      282.2
   65   3   3  -4 25.76   51.519   0.282    8.15    4      196.0      241.1
   66   4   2   1 25.878  51.756   0.283    8.07    4       66.6       27.5
   67   4   2  -5 25.892  51.784   0.283    8.06    4       69.1       29.7
   68   1   1   4 25.946  51.893   0.284    8.02    4        3.8        0.1
   69   1   1  -5 25.951  51.903   0.284    8.02    4        0.3        0.0
   70   2   4   0 26.211  52.422   0.287    7.84    4       17.1        1.8
   71   2   4  -2 26.213  52.427   0.287    7.84    4       12.6        1.0
   72   2   2   3 26.502  53.005   0.29     7.64    4       36.2        7.7
   73   2   2  -5 26.512  53.023   0.29     7.64    4       44.3       11.5
   74   6   2  -3 26.529  53.058   0.29     7.63    4      123.3       89.3
   75   0   4   2 26.835  53.669   0.293    7.43    4      173.9      172.9
   76   1   3   3 27.003  54.006   0.295    7.32    4        3.8        0.1
   77   1   3  -4 27.007  54.013   0.295    7.32    4        5.4        0.2
   78   5   3  -2 27.02   54.039   0.295    7.31    4       25.1        3.5
   79   5   3  -3 27.022  54.045   0.295    7.31    4       37.0        7.7
   80   6   2  -2 27.146  54.291   0.296    7.24    4      103.8       60.0
   81   6   2  -4 27.152  54.305   0.296    7.23    4      102.9       59.0
   82   4   0   2 27.223  54.445   0.297    7.19    2      104.0       29.9
   83   4   0  -6 27.241  54.481   0.297    7.18    2      112.2       34.8
   84   2   4   1 28.056  56.113   0.305    6.71    4        8.9        0.4
   85   2   4  -3 28.061  56.122   0.305    6.71    4       10.8        0.6
   86   5   3  -1 28.233  56.466   0.307    6.62    4       51.7       13.6
   87   5   3  -4 28.241  56.482   0.307    6.62    4       50.6       13.0
   88   3   1   3 28.406  56.812   0.309    6.53    4       53.5       14.4
   89   5   1   1 28.414  56.829   0.309    6.52    4       87.4       38.4
   90   3   1  -6 28.421  56.842   0.309    6.52    4       45.8       10.5
   91   5   1  -6 28.434  56.867   0.309    6.51    4       86.9       37.9
   92   7   1  -3 28.438  56.876   0.309    6.51    4       27.8        3.9
   93   7   1  -4 28.442  56.883   0.309    6.51    4       29.1        4.2
   94   6   2  -1 28.948  57.896   0.314    6.26    4       11.9        0.7
   95   6   2  -5 28.961  57.922   0.314    6.25    4        5.4        0.1
   96   2   0   4 29.021  58.041   0.315    6.22    2       85.1       17.3
   97   2   0  -6 29.031  58.063   0.315    6.22    2      101.2       24.5
   98   6   0   0 29.037  58.074   0.315    6.21    2       93.2       20.8
   99   6   0  -6 29.057  58.113   0.315    6.2     2      101.7       24.7
  100   4   4  -2 29.254  58.507   0.317    6.11    4      159.5      119.6
  101   3   3   2 29.404  58.807   0.319    6.04    4        3.9        0.1
  102   3   3  -5 29.415  58.83    0.319    6.03    4       14.4        1.0
  103   7   1  -2 29.612  59.223   0.321    5.94    4        1.3        0.0
  104   7   1  -5 29.623  59.246   0.321    5.94    4        5.8        0.2
  105   0   4   3 29.826  59.651   0.323    5.85    4        6.7        0.2
  106   4   4  -1 29.834  59.667   0.323    5.85    4       21.3        2.0
  107   4   4  -3 29.838  59.676   0.323    5.84    4       23.3        2.4
  108   4   2   2 30.098  60.197   0.326    5.73    4       22.0        2.1
  109   4   2  -6 30.115  60.23    0.326    5.72    4       24.2        2.6
  110   5   3   0 30.567  61.133   0.33     5.54    4      141.9       85.8
  111   5   3  -5 30.58   61.159   0.33     5.53    4      151.9       98.3
  112   0   2   5 30.669  61.338   0.331    5.5     4      118.8       59.7
  113   2   4   2 30.97   61.939   0.334    5.38    4       13.0        0.7
  114   2   4  -4 30.976  61.951   0.334    5.38    4        2.6        0.0
  115   1   5   0 31.336  62.672   0.338    5.24    4       64.8       16.9
  116   1   5  -1 31.337  62.673   0.338    5.24    4       77.4       24.2
  117   4   4   0 31.539  63.078   0.34     5.17    4       30.1        3.6
  118   4   4  -4 31.547  63.094   0.34     5.16    4       31.1        3.8
  119   1   3   4 31.685  63.37    0.341    5.12    4       41.9        6.9
  120   1   3  -5 31.689  63.379   0.341    5.11    4       43.5        7.5
  121   2   2   4 31.793  63.586   0.342    5.08    4       54.1       11.4
  122   2   2  -6 31.803  63.606   0.342    5.07    4       49.4        9.5
  123   6   2   0 31.809  63.617   0.342    5.07    4       85.7       28.7
  124   6   2  -6 31.827  63.654   0.342    5.07    4       84.6       27.9
  125   1   1   5 31.859  63.718   0.343    5.05    4       25.6        2.5
  126   1   1  -6 31.864  63.729   0.343    5.05    4       21.0        1.7
  127   7   1  -1 31.882  63.764   0.343    5.05    4      121.3       57.2
  128   7   1  -6 31.9    63.8     0.343    5.04    4      119.1       55.0
  129   8   0  -4 31.922  63.844   0.343    5.03    2      272.2      143.5
  130   1   5   1 32.449  64.898   0.348    4.86    4       21.4        1.7
  131   1   5  -2 32.451  64.901   0.348    4.86    4       25.5        2.4
  132   5   1   2 32.969  65.938   0.353    4.69    4       10.6        0.4
  133   5   1  -7 32.991  65.983   0.353    4.69    4       14.2        0.7
  134   3   5  -1 33.548  67.095   0.359    4.52    4       53.6       10.0
  135   3   5  -2 33.549  67.098   0.359    4.52    4       50.5        8.9
  136   0   4   4 33.734  67.467   0.36     4.47    4       83.9       24.2
  137   3   3   3 33.88   67.761   0.362    4.43    4        1.7        0.0
  138   5   3   1 33.888  67.776   0.362    4.43    4       23.4        1.9
  139   3   3  -6 33.894  67.787   0.362    4.43    4       10.4        0.4
  140   5   3  -6 33.905  67.81    0.362    4.42    4       12.1        0.5
  141   7   3  -3 33.909  67.818   0.362    4.42    4        1.4        0.0
  142   7   3  -4 33.912  67.825   0.362    4.42    4        1.4        0.0
  143   3   1   4 34.047  68.095   0.363    4.39    4       19.8        1.3
  144   3   1  -7 34.064  68.127   0.364    4.38    4       19.7        1.3
  145   0   0   6 34.071  68.143   0.364    4.38    2       35.0        2.1
  146   8   0  -2 34.101  68.203   0.364    4.37    2       39.4        2.6
  147   8   0  -6 34.117  68.234   0.364    4.37    2       31.1        1.6
  148   4   4   1 34.276  68.552   0.366    4.33    4       15.0        0.8
  149   4   4  -5 34.288  68.575   0.366    4.32    4        8.2        0.2
  150   8   2  -4 34.562  69.123   0.368    4.25    4        1.0        0.0
  151   1   5   2 34.619  69.237   0.369    4.24    4      107.4       37.7
  152   1   5  -3 34.621  69.242   0.369    4.24    4       95.0       29.5
  153   3   5   0 34.622  69.245   0.369    4.24    4       13.5        0.6
  154   3   5  -3 34.627  69.254   0.369    4.24    4        3.2        0.0
  155   2   4   3 34.806  69.611   0.371    4.19    4       10.0        0.3
  156   2   4  -5 34.813  69.627   0.371    4.19    4        4.2        0.1
  157   6   4  -3 34.828  69.657   0.371    4.19    4        1.4        0.0
  158   7   3  -2 34.977  69.953   0.372    4.15    4       28.7        2.6
  159   7   3  -5 34.987  69.973   0.372    4.15    4       36.2        4.2
  160   4   2   3 35.057  70.113   0.373    4.13    4      193.2      118.7
  161   4   2  -7 35.076  70.152   0.373    4.13    4      195.2      121.0
  162   8   2  -3 35.09   70.181   0.373    4.12    4        1.2        0.0
  163   8   2  -5 35.098  70.196   0.373    4.12    4        2.0        0.0
  164   7   1   0 35.136  70.272   0.374    4.11    4       30.1        2.9
  165   7   1  -7 35.16   70.319   0.374    4.11    4       23.6        1.8
  166   6   4  -2 35.356  70.713   0.376    4.06    4       39.0        4.8
  167   6   4  -4 35.362  70.724   0.376    4.06    4       55.4        9.6
  168   6   2   1 35.596  71.191   0.378    4.01    4       82.8       21.2
  169   6   2  -7 35.619  71.238   0.378    4.0     4       82.2       20.8
  170   0   2   6 36.636  73.271   0.387    3.79    4        6.5        0.1
  171   8   2  -2 36.665  73.329   0.388    3.78    4       17.7        0.9
  172   8   2  -6 36.68   73.36    0.388    3.78    4       16.7        0.8
  173   3   5   1 36.73   73.46    0.388    3.77    4      113.8       37.6
  174   3   5  -4 36.737  73.475   0.388    3.77    4      119.8       41.6
  175   6   4  -1 36.927  73.854   0.39     3.73    4        7.2        0.1
  176   6   4  -5 36.938  73.876   0.39     3.73    4        4.6        0.1
  177   1   3   5 37.052  74.104   0.391    3.71    4       13.9        0.6
  178   1   3  -6 37.057  74.115   0.391    3.71    4       15.0        0.6
  179   7   3  -1 37.074  74.148   0.391    3.71    4       78.5       17.6
  180   7   3  -6 37.091  74.181   0.391    3.7     4       73.0       15.2
  181   9   1  -4 37.261  74.521   0.393    3.67    4       26.1        1.9
  182   9   1  -5 37.265  74.53    0.393    3.67    4       34.5        3.4
  183   2   2   5 37.67   75.34    0.397    3.6     4       81.4       18.4
  184   2   2  -7 37.681  75.362   0.397    3.6     4       74.6       15.4
  185   6   0   2 37.76   75.521   0.397    3.58    2      157.0       34.0
  186   1   5   3 37.764  75.529   0.398    3.58    4       71.9       14.3
  187   1   5  -4 37.768  75.535   0.398    3.58    4       67.3       12.5
  188   5   5  -2 37.778  75.557   0.398    3.58    4        6.1        0.1
  189   5   5  -3 37.781  75.561   0.398    3.58    4        7.7        0.2
  190   6   0  -8 37.789  75.577   0.398    3.58    2      139.9       27.0
  191   4   4   2 37.948  75.897   0.399    3.55    4       36.1        3.6
  192   4   4  -6 37.963  75.927   0.399    3.55    4       36.8        3.7
  193   0   6   0 38.059  76.118   0.4      3.53    2       18.8        0.5
  194   5   3   2 38.091  76.183   0.4      3.53    4        8.3        0.2
  195   5   3  -7 38.113  76.225   0.401    3.53    4       10.2        0.3
  196   1   1   6 38.246  76.492   0.402    3.5     4        8.4        0.2
  197   5   1   3 38.25   76.5     0.402    3.5     4        7.9        0.2
  198   1   1  -7 38.252  76.505   0.402    3.5     4       14.4        0.6
  199   4   0   4 38.267  76.533   0.402    3.5     2       51.2        3.5
  200   5   1  -8 38.276  76.551   0.402    3.5     4        5.7        0.1
  201   9   1  -3 38.288  76.576   0.402    3.5     4       24.1        1.6
  202   4   0  -8 38.289  76.578   0.402    3.5     2       49.8        3.3
  203   9   1  -6 38.301  76.602   0.402    3.5     4        9.6        0.2
  204   0   4   5 38.461  76.922   0.404    3.47    4        4.9        0.1
  205   0   6   1 38.572  77.145   0.405    3.45    4       12.1        0.4
  206   5   5  -1 38.803  77.606   0.407    3.42    4        8.3        0.2
  207   5   5  -4 38.81   77.62    0.407    3.42    4        1.7        0.0
  208   2   6  -1 39.086  78.172   0.409    3.38    4      198.7      102.7
  209   3   3   4 39.11   78.219   0.409    3.37    4       95.9       23.9
  210   3   3  -7 39.125  78.25    0.41     3.37    4      100.7       26.3
  211   8   2  -1 39.237  78.474   0.411    3.36    4        7.6        0.2
  212   8   2  -7 39.259  78.518   0.411    3.35    4        4.0        0.0
  213   7   1   1 39.285  78.57    0.411    3.35    4       15.7        0.6
  214   7   1  -8 39.314  78.628   0.411    3.35    4       20.5        1.1
  215   2   4   4 39.48   78.96    0.413    3.32    4      154.0       60.7
  216   2   4  -6 39.489  78.979   0.413    3.32    4      151.4       58.6
  217   6   4   0 39.494  78.988   0.413    3.32    4       46.4        5.5
  218   6   4  -6 39.511  79.022   0.413    3.32    4       29.3        2.2
  219   2   6   0 39.594  79.189   0.414    3.31    4       45.0        5.2
  220   2   6  -2 39.596  79.192   0.414    3.31    4       35.4        3.2
  221   3   5   2 39.812  79.624   0.416    3.28    4       20.3        1.0
  222   3   5  -5 39.822  79.643   0.416    3.28    4       24.0        1.4
  223   0   6   2 40.101  80.202   0.418    3.24    4       11.2        0.3
  224   7   3   0 40.145  80.291   0.419    3.24    4       12.3        0.4
  225   7   3  -7 40.168  80.336   0.419    3.23    4       15.5        0.6
  226   6   2   2 40.235  80.469   0.419    3.23    4       68.9       11.8
  227   6   2  -8 40.262  80.525   0.42     3.22    4       73.6       13.5
  228   3   1   5 40.284  80.568   0.42     3.22    4       76.2       14.4
  229   3   1  -8 40.302  80.604   0.42     3.22    4       75.2       14.0
  230   9   1  -2 40.323  80.645   0.42     3.22    4      147.3       53.7
  231   8   0   0 40.329  80.657   0.42     3.21    2       44.6        2.5
  232   9   1  -7 40.343  80.687   0.42     3.21    4      154.1       58.8
  233   8   0  -8 40.358  80.716   0.42     3.21    2       44.3        2.4
  234   4   2   4 40.732  81.464   0.424    3.17    4       11.0        0.3
  235   4   2  -8 40.754  81.508   0.424    3.17    4       21.0        1.1
  236   5   5   0 40.832  81.665   0.424    3.16    4      109.1       28.9
  237   5   5  -5 40.844  81.688   0.425    3.16    4       97.4       23.0
  238   2   6   1 41.112  82.224   0.427    3.13    4       11.5        0.3
  239   2   6  -3 41.116  82.232   0.427    3.13    4       11.9        0.3
  240   2   0   6 41.816  83.633   0.433    3.06    2       56.4        3.7
  241   2   0  -8 41.829  83.658   0.433    3.05    2       57.4        3.9
  242   1   5   4 41.83   83.66    0.433    3.05    4       56.8        7.6
  243   1   5  -5 41.834  83.669   0.433    3.05    4       69.0       11.2
  244  10   0  -4 41.871  83.743   0.433    3.05    2       40.0        1.9
  245  10   0  -6 41.881  83.761   0.433    3.05    2       30.2        1.1
  246   8   4  -4 42.044  84.088   0.435    3.03    4       96.9       22.0
  247   4   6  -2 42.127  84.253   0.435    3.03    4        7.2        0.1
  248   9   3  -4 42.189  84.378   0.436    3.02    4       46.6        5.1
  249   9   3  -5 42.193  84.386   0.436    3.02    4       47.1        5.2
  250   4   4   3 42.51   85.02    0.439    2.99    4       22.6        1.2
  251   4   4  -7 42.528  85.057   0.439    2.99    4        7.2        0.1
  252   8   4  -3 42.542  85.084   0.439    2.99    4       22.1        1.1
  253   8   4  -5 42.549  85.099   0.439    2.99    4       24.7        1.4
  254   0   6   3 42.619  85.239   0.44     2.98    4       29.9        2.0
  255   4   6  -1 42.626  85.253   0.44     2.98    4       16.8        0.6
  256   4   6  -3 42.63   85.26    0.44     2.98    4       18.2        0.8
  257   8   2   0 42.766  85.533   0.441    2.97    4       25.3        1.5
  258   8   2  -8 42.796  85.591   0.441    2.97    4       14.9        0.5
  259   6   4   1 43.02   86.041   0.443    2.95    4       10.2        0.2
  260   6   4  -7 43.042  86.084   0.443    2.95    4       27.7        1.7
  261   1   3   6 43.146  86.292   0.444    2.94    4       66.7       10.1
  262   5   3   3 43.15   86.299   0.444    2.94    4       81.3       15.0
  263   1   3  -7 43.152  86.304   0.444    2.94    4       81.7       15.1
  264   5   3  -8 43.175  86.35    0.444    2.94    4       79.6       14.3
  265   9   3  -3 43.187  86.374   0.444    2.94    4       22.1        1.1
  266   9   3  -6 43.199  86.399   0.444    2.94    4       17.2        0.7
  267   0   2   7 43.246  86.493   0.445    2.94    4       23.6        1.3
  268   9   1  -1 43.335  86.671   0.445    2.93    4       10.2        0.2
  269   9   1  -8 43.364  86.728   0.446    2.93    4        2.7        0.0
  270   2   6   2 43.62   87.24    0.448    2.91    4       46.8        4.9
  271   2   6  -4 43.626  87.251   0.448    2.91    4       50.9        5.8
  272  10   2  -5 43.802  87.603   0.449    2.9     4      181.6       73.6
  273   3   5   3 43.835  87.669   0.45     2.89    4       47.3        5.0
  274   5   5   1 43.842  87.683   0.45     2.89    4        8.7        0.2
  275   3   5  -6 43.847  87.694   0.45     2.89    4       41.2        3.8
  276   5   5  -6 43.858  87.715   0.45     2.89    4        8.7        0.2
  277   7   5  -3 43.861  87.722   0.45     2.89    4       49.6        5.5
  278   7   5  -4 43.864  87.729   0.45     2.89    4       38.5        3.3
  279   0   4   6 44.012  88.024   0.451    2.88    4      139.9       43.4
  280   8   4  -2 44.04   88.079   0.451    2.88    4       87.3       16.9
  281   8   4  -6 44.054  88.109   0.451    2.88    4       90.8       18.3
  282   4   6   0 44.126  88.251   0.452    2.88    4        9.5        0.2
  283   4   6  -4 44.133  88.266   0.452    2.88    4        3.8        0.0
  284   7   3   1 44.161  88.323   0.452    2.87    4       14.5        0.5
  285   7   3  -8 44.19   88.38    0.452    2.87    4       16.2        0.6
  286   2   2   6 44.242  88.484   0.453    2.87    4       37.4        3.1
  287   2   2  -8 44.255  88.51    0.453    2.87    4       34.3        2.6
  288  10   2  -4 44.297  88.594   0.453    2.87    4        5.2        0.1
  289   5   1   4 44.304  88.608   0.453    2.87    4       50.4        5.6
  290  10   2  -6 44.306  88.612   0.453    2.87    4       10.1        0.2
  291   7   1   2 44.314  88.629   0.453    2.87    4       46.6        4.8
  292   5   1  -9 44.334  88.667   0.454    2.86    4       54.2        6.5
  293   7   1  -9 44.35   88.699   0.454    2.86    4       53.2        6.2
  294   7   5  -2 44.857  89.715   0.458    2.84    4        1.1        0.0
  295   7   5  -5 44.867  89.734   0.458    2.84    4        4.3        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   1   1   0   7.514  15.028  5.89035       77.4      3.5      3.6     5.6
    2   2   0   0   9.311  18.622  4.76092       47.7      2.2      2.2     5.6
    3   0   0   2  10.763  21.525  4.12485       23.4      1.1      1.1     5.6
    4   0   2   1  13.045  26.089  3.41272      116.1      5.3      5.3     5.6
    5   3   1  -1  13.187  26.374  3.37654      347.7     15.9     16.0     5.6
    6   2   2  -1  14.143  28.285  3.15252     1412.5     64.7     64.9     5.6
    7   2   2  -2  15.165  30.33   2.94449       75.7      3.5      3.5     5.6
    8   1   1  -3  15.278  30.556  2.92324     2181.8    100.0    100.0     5.6
    9   4   0  -2  15.33   30.661  2.9135       330.0     15.1     15.1     5.6
   10   2   2   1  17.907  35.814  2.50517      176.5      8.1      8.1     5.7
   11   2   0   2  18.039  36.078  2.4875        31.8      1.5      1.5     5.7
   12   3   1  -4  18.853  37.706  2.3837       190.9      8.7      8.7     5.7
   13   4   2  -3  20.345  40.69   2.21555      221.7     10.2     10.1     5.7
   14   5   1  -3  20.441  40.882  2.20556       61.7      2.8      2.8     5.7
   15   2   2   2  21.817  43.634  2.07265       26.5      1.2      1.2     5.7
   16   0   0   4  21.931  43.861  2.06242      135.7      6.2      6.1     5.7
   17   1   3  -3  23.097  46.193  1.96358      353.1     16.2     15.9     5.7
   18   3   1  -5  23.324  46.647  1.94553      133.5      6.1      6.0     5.7
   19   6   0  -2  24.039  48.078  1.89091       36.8      1.7      1.7     5.7
   20   0   4   0  24.266  48.533  1.87425       65.4      3.0      2.9     5.7
   21   5   1   0  24.666  49.332  1.84575      183.5      8.4      8.3     5.7
   22   3   3   1  25.751  51.502  1.77296      523.2     24.0     23.5     5.8
   23   4   2  -5  25.892  51.784  1.76398       57.2      2.6      2.6     5.8
   24   6   2  -3  26.529  53.058  1.72457      108.5      5.0      4.9     5.8
   25   0   4   2  26.835  53.669  1.70636      172.9      7.9      7.7     5.8
   26   6   2  -2  27.146  54.291  1.68827      119.0      5.5      5.3     5.8
   27   4   0  -6  27.241  54.481  1.68283       64.7      3.0      2.9     5.8
   28   5   3  -1  28.233  56.466  1.62831       26.7      1.2      1.2     5.8
   29   5   1  -6  28.434  56.867  1.61776      109.2      5.0      4.9     5.8
   30   6   0   0  29.037  58.074  1.58697       87.3      4.0      3.9     5.8
   31   4   4  -2  29.254  58.507  1.57626      119.6      5.5      5.3     5.8
   32   5   3  -5  30.58   61.159  1.5141       184.1      8.4      8.2     5.8
   33   0   2   5  30.669  61.338  1.51013       59.7      2.7      2.6     5.8
   34   1   5  -1  31.337  62.673  1.48113       41.1      1.9      1.8     5.8
   35   6   2   0  31.809  63.617  1.4614        77.6      3.6      3.4     5.9
   36   7   1  -1  31.882  63.764  1.45838       61.5      2.8      2.7     5.9
   37   8   0  -4  31.922  63.844  1.45675      198.6      9.1      8.8     5.9
   38   0   4   4  33.734  67.467  1.38706       24.2      1.1      1.1     5.9
   39   1   5   2  34.619  69.237  1.35586       67.7      3.1      3.0     5.9
   40   4   2  -7  35.076  70.152  1.34041      239.8     11.0     10.5     5.9
   41   6   2   1  35.596  71.191  1.32336       42.0      1.9      1.8     5.9
   42   3   5  -4  36.737  73.475  1.28778       79.2      3.6      3.4     6.0
   43   7   3  -1  37.074  74.148  1.27774       32.8      1.5      1.4     6.0
   44   2   2   5  37.67   75.34   1.26046       33.8      1.5      1.5     6.0
   45   6   0   2  37.76   75.521  1.25789       88.0      4.0      3.8     6.0
   46   2   6  -1  39.086  78.172  1.22173      126.6      5.8      5.4     6.0
   47   3   3  -7  39.125  78.25   1.2207        26.3      1.2      1.1     6.0
   48   2   4   4  39.48   78.96   1.2115       124.7      5.7      5.3     6.0
   49   3   1   5  40.284  80.568  1.19132       53.6      2.5      2.3     6.1
   50   9   1  -7  40.343  80.687  1.18987      117.4      5.4      5.0     6.1
   51   5   5   0  40.832  81.665  1.17807       52.0      2.4      2.2     6.1
   52   1   5  -5  41.834  83.669  1.15488       26.4      1.2      1.1     6.1
   53   8   4  -4  42.044  84.088  1.15019       22.0      1.0      0.9     6.1
   54   5   3  -8  43.175  86.35   1.12577       56.3      2.6      2.4     6.1
   55  10   2  -5  43.802  87.603  1.11286       73.6      3.4      3.1     6.2
   56   0   4   6  44.012  88.024  1.10863       60.3      2.8      2.5     6.2
   57   5   1  -9  44.334  88.667  1.10223       23.4      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)