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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EPIDOTE

5, t-epidote, at 293'K, f-epidote, s-epidote

Ca(1.925)Al(2.265)Fe(0.745)Si(3)O(12)(OH)


Monoclinic  P 2(1)/m  Z = 2

R =0.0351          NR =1756

17 .10 .10

Ref.Str.:

         Gatta C.D., Meven M., Bromiley G. (2010)

         * Phys. Chem. Minerals, 37, 475-485

         R: from Val Sissone, Valmalenco, Rhetic Alps, Italy.

         Neutron single-crystal diffraction.  N.A.D

                   Initial data from BDM-file 

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

             a =   8.89     alpha =   90.0 
             b =   5.63     beta  =  115.36
             c =  10.15     gamma =   90.0 

    Unit cell volume (cub. angs.) =   459.06

    Molar volume ( cub.cm/mol.) =   138.25

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

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

   1 0.7576  0.75    0.1518   0.0    Ca    = 1.00
   2 0.6053  0.75    0.4241   0.0    Ca    = 1.00
   3 0.0     0.0     0.0      0.0    Al    = 1.0 , Fe    = 0.0 
   4 0.0     0.0     0.5      0.0    Al    = 1.00
   5 0.2938  0.25    0.2243   0.0    Fe    = 0.73, Al    = 0.27
   6 0.3394  0.75    0.0475   0.0    Si    = 1.00
   7 0.6841  0.25    0.2748   0.0    Si    = 1.00
   8 0.184   0.75    0.3183   0.0    Si    = 1.00
   9 0.2341  0.9944  0.0415   0.0    O     = 1.00
  10 0.3038  0.9822  0.3552   0.0    O     = 1.00
  11 0.7946  0.0132  0.34     0.0    O     = 1.00
  12 0.0528  0.25    0.1295   0.0    O     = 1.00
  13 0.0416  0.75    0.1457   0.0    O     = 1.00
  14 0.0666  0.75    0.4067   0.0    O     = 1.00
  15 0.5153  0.75    0.1808   0.0    O     = 1.00
  16 0.5247  0.25    0.3079   0.0    O     = 1.00
  17 0.6277  0.25    0.099    0.0    O     = 1.00
  18 0.0821  0.25    0.4284   0.0    O     = 1.00
  19 0.0537  0.25    0.3242   0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7576     0.75       0.1518
     2       2     0.6053     0.75       0.4241
     3       3     0.0        0.0        0.0   
     4       4     0.0        0.0        0.5   
     5       5     0.2938     0.25       0.2243
     6       6     0.3394     0.75       0.0475
     7       7     0.6841     0.25       0.2748
     8       8     0.184      0.75       0.3183
     9       9     0.2341     0.9944     0.0415
    10      10     0.3038     0.9822     0.3552
    11      11     0.7946     0.0132     0.34  
    12      12     0.0528     0.25       0.1295
    13      13     0.0416     0.75       0.1457
    14      14     0.0666     0.75       0.4067
    15      15     0.5153     0.75       0.1808
    16      16     0.5247     0.25       0.3079
    17      17     0.6277     0.25       0.099 
    18      18     0.0821     0.25       0.4284
    19      19     0.0537     0.25       0.3242
    20       1     0.2424     0.25       0.8482
    21       2     0.3947     0.25       0.5759
    22       3     0.0        0.5        0.0   
    23       4     0.0        0.5        0.5   
    24       5     0.7062     0.75       0.7757
    25       6     0.6606     0.25       0.9525
    26       7     0.3159     0.75       0.7252
    27       8     0.816      0.25       0.6817
    28       9     0.7659     0.4944     0.9585
    29      10     0.6962     0.4822     0.6448
    30      11     0.2054     0.5132     0.66  
    31      12     0.9472     0.75       0.8705
    32      13     0.9584     0.25       0.8543
    33      14     0.9334     0.25       0.5933
    34      15     0.4847     0.25       0.8192
    35      16     0.4753     0.75       0.6921
    36      17     0.3723     0.75       0.901 
    37      18     0.9179     0.75       0.5716
    38      19     0.9463     0.75       0.6758
    39       9     0.2341     0.5056     0.0415
    40      10     0.3038     0.5178     0.3552
    41      11     0.7946     0.4868     0.34  
    42       9     0.7659     0.0056     0.9585
    43      10     0.6962     0.0178     0.6448
    44      11     0.2054     0.9868     0.66  


X-ray density (g/cm cub.)   =      3.44

MU (1/cm) =     273.221    Mass attenuation coefficient (cm**2/g) =     79.452

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

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

    1    Ca                  2.88         7
                                                 2.3268      11
                                                 2.5524      13
                                                 2.8555      14
                                                 2.2953      15
                                                 2.4594       9
                                                 2.3268      11
                                                 2.4594       9
    2    Ca                  2.88         8
                                                 2.7881      10
                                                 2.6436      11
                                                 2.2464      15
                                                 2.5284      10
                                                 2.5301      18
                                                 2.7881      10
                                                 2.6436      11
                                                 2.5284      10
    3   Al   ,Fe             2.592        6
                                                 1.9385       9
                                                 1.8441      12
                                                 1.9584      13
                                                 1.8441      12
                                                 1.9584      13
                                                 1.9385       9
    4    Al                  2.316        6
                                                 1.8539      11
                                                 1.9262      14
                                                 1.8699      18
                                                 1.9262      14
                                                 1.8699      18
                                                 1.8539      11
    5   Fe   ,Al             2.592        6
                                                 2.2255       9
                                                 1.9864      10
                                                 1.9367      12
                                                 1.8547      16
                                                 2.2255       9
                                                 1.9864      10
    6    Si                  2.1          4
                                                 1.6504       9
                                                 1.5697      15
                                                 1.6337      17
                                                 1.6504       9
    7    Si                  2.1          4
                                                 1.62        11
                                                 1.5904      16
                                                 1.6335      17
                                                 1.62        11
    8    Si                  2.1          4
                                                 1.6259      10
                                                 1.6652      13
                                                 1.6411      14
                                                 1.6259      10
    9    O                   3.264       10
                                                 2.9732      10
                                                 2.5885      12
                                                 2.7367      13
                                                 2.6674      15
                                                 3.1738      16
                                                 2.7598      12
                                                 2.7743      13
                                                 2.6335      17
                                                 2.8784       9
                                                 2.7516       9
   10    O                   3.264        8
                                                 2.9732       9
                                                 2.85        12
                                                 2.7241      13
                                                 2.7151      14
                                                 2.6771      16
                                                 2.8221      18
                                                 3.0152      10
                                                 2.6148      10
   11    O                   3.264        9
                                                 2.6645      14
                                                 2.745       15
                                                 2.6406      16
                                                 2.6179      17
                                                 2.6742      18
                                                 2.6823      14
                                                 2.5914      18
                                                 2.6668      11
                                                 2.9632      11
   12    O                   3.264       10
                                                 2.5885       9
                                                 2.85        10
                                                 2.824       13
                                                 2.824       13
                                                 2.9318      18
                                                 2.7598       9
                                                 2.5489      13
                                                 2.5885       9
                                                 2.85        10
                                                 2.7598       9
   13    O                   3.264       10
                                                 2.7367       9
                                                 2.7241      10
                                                 2.824       12
                                                 2.824       12
                                                 2.5618      14
                                                 2.7743       9
                                                 2.5489      12
                                                 2.7367       9
                                                 2.7241      10
                                                 2.7743       9
   14    O                   3.264       10
                                                 2.7151      10
                                                 2.6645      11
                                                 2.5618      13
                                                 2.8224      18
                                                 2.8224      18
                                                 2.6823      11
                                                 2.5392      18
                                                 2.7151      10
                                                 2.6645      11
                                                 2.6823      11
   15    O                   3.264        9
                                                 2.6674       9
                                                 2.745       11
                                                 3.0826      16
                                                 3.0826      16
                                                 3.213       17
                                                 3.213       17
                                                 2.5668      17
                                                 2.6674       9
                                                 2.745       11
   16    O                   3.264        9
                                                 3.1738       9
                                                 2.6771      10
                                                 2.6406      11
                                                 3.0826      15
                                                 3.0826      15
                                                 2.6451      17
                                                 3.1738       9
                                                 2.6771      10
                                                 2.6406      11
   17    O                   3.264        8
                                                 2.6179      11
                                                 3.213       15
                                                 3.213       15
                                                 2.6451      16
                                                 2.6335       9
                                                 2.5668      15
                                                 2.6179      11
                                                 2.6335       9
   18    O                   3.264       10
                                                 2.8221      10
                                                 2.6742      11
                                                 2.9318      12
                                                 2.8224      14
                                                 2.8224      14
                                                 2.5914      11
                                                 2.5392      14
                                                 2.8221      10
                                                 2.6742      11
                                                 2.5914      11
   19    H                   1.632        1
                                                 0.9766      18

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   0   0   1  5.596  11.193   0.055  207.32    2        5.8        6.7
    2   1   0   0  6.393  12.786   0.062  158.36    2       14.1       30.0
    3   1   0  -1  6.447  12.893   0.063  155.68    2       13.1       25.5
    4   1   0   1 10.175  20.351   0.099   61.17    2       15.6       14.1
    5   1   0  -2 10.278  20.556   0.1     59.91    2       56.3      180.1
    6   0   1   1 10.744  21.488   0.104   54.65    4        2.3        0.5
    7   1   1   0 11.187  22.373   0.108   50.24    4       15.3       22.3
    8   1   1  -1 11.218  22.436   0.109   49.95    4       15.2       22.0
    9   0   0   2 11.247  22.495   0.109   49.68    2        4.7        1.1
   10   2   0  -1 11.609  23.219   0.112   46.5     2        0.6        0.0
   11   2   0   0 12.867  25.734   0.124   37.47    2       61.7      135.2
   12   2   0  -2 12.977  25.954   0.126   36.8     2       58.3      118.6
   13   1   1   1 13.745  27.489   0.133   32.59    4       24.2       36.2
   14   1   1  -2 13.822  27.644   0.134   32.2     4       16.7       17.0
   15   0   1   2 14.57   29.14    0.141   28.78    4        0.6        0.0
   16   2   1  -1 14.856  29.713   0.143   27.61    4       65.8      226.8
   17   1   0   2 15.234  30.468   0.147   26.16    2       52.3       68.0
   18   1   0  -3 15.352  30.703   0.148   25.73    2       11.8        3.4
   19   2   1   0 15.876  31.751   0.153   23.94    4        8.9        3.6
   20   2   1  -2 15.967  31.933   0.154   23.65    4       10.4        4.8
   21   2   0   1 16.186  32.372   0.156   22.96    2       58.5       74.5
   22   2   0  -3 16.364  32.728   0.157   22.42    2       12.3        3.2
   23   0   0   3 17.012  34.023   0.164   20.61    2       32.5       20.6
   24   3   0  -1 17.774  35.548   0.171   18.73    2       18.5        6.1
   25   3   0  -2 17.835  35.671   0.171   18.59    2       70.8       88.3
   26   1   1   2 17.882  35.764   0.172   18.48    4       15.6        8.5
   27   1   1  -3 17.984  35.968   0.173   18.25    4      138.6      665.6
   28   0   2   0 18.527  37.054   0.178   17.1     2      132.1      283.4
   29   2   1   1 18.714  37.429   0.179   16.72    4       42.0       56.0
   30   2   1  -3 18.871  37.743   0.181   16.42    4       28.7       25.7
   31   0   2   1 19.413  38.826   0.186   15.42    4       12.6        4.7
   32   0   1   3 19.446  38.892   0.186   15.36    4       85.7      214.4
   33   3   0   0 19.514  39.027   0.187   15.25    2       92.3      123.3
   34   1   2   0 19.675  39.351   0.188   14.97    4       67.3      128.8
   35   3   0  -3 19.684  39.368   0.188   14.96    2       14.1        2.8
   36   1   2  -1 19.694  39.389   0.188   14.94    4        3.9        0.4
   37   3   1  -1 20.129  40.257   0.192   14.23    4      105.6      301.4
   38   3   1  -2 20.184  40.368   0.193   14.14    4       19.5       10.2
   39   2   0   2 20.691  41.382   0.198   13.38    2       95.8      116.6
   40   1   0   3 20.782  41.565   0.198   13.25    2        6.9        0.6
   41   2   0  -4 20.907  41.815   0.199   13.08    2       16.2        3.2
   42   1   0  -4 20.908  41.817   0.199   13.07    2       39.2       19.1
   43   1   2   1 21.319  42.638   0.203   12.52    4       10.3        2.5
   44   1   2  -2 21.372  42.744   0.204   12.45    4       50.3       59.8
   45   3   1   0 21.709  43.418   0.207   12.02    4       17.9        7.3
   46   3   1  -3 21.865  43.73    0.208   11.83    4       97.0      211.4
   47   0   2   2 21.891  43.781   0.208   11.79    4       85.3      162.7
   48   2   2  -1 22.093  44.186   0.21    11.55    4       37.1       30.1
   49   3   0   1 22.706  45.411   0.216   10.86    2       16.8        2.9
   50   2   1   2 22.793  45.586   0.217   10.77    4       22.8       10.6
   51   2   2   0 22.831  45.662   0.217   10.73    4       11.9        2.9
   52   1   1   3 22.878  45.755   0.217   10.68    4       41.1       34.3
   53   2   2  -2 22.898  45.796   0.217   10.66    4       59.9       72.7
   54   3   0  -4 22.957  45.913   0.218   10.59    2       29.3        8.6
   55   0   0   4 22.96   45.92    0.218   10.59    2        9.8        1.0
   56   2   1  -4 22.993  45.987   0.218   10.56    4       38.4       29.5
   57   1   1  -4 22.994  45.989   0.218   10.56    4       28.9       16.7
   58   4   0  -2 23.733  47.467   0.225    9.83    2       27.8        7.2
   59   1   2   2 24.351  48.701   0.23     9.27    4        9.7        1.7
   60   4   0  -1 24.401  48.801   0.231    9.23    2      112.8      111.5
   61   1   2  -3 24.43   48.86    0.231    9.2     4       52.7       48.5
   62   4   0  -3 24.528  49.056   0.232    9.12    2       33.1        9.5
   63   3   1   1 24.671  49.343   0.233    9.0     4        1.0        0.0
   64   3   1  -4 24.907  49.815   0.235    8.8     4        9.7        1.6
   65   0   1   4 24.91   49.821   0.235    8.8     4       26.0       11.3
   66   2   2   1 25.005  50.009   0.236    8.73    4       83.5      115.5
   67   2   2  -3 25.129  50.259   0.237    8.63    4       89.4      130.8
   68   0   2   3 25.59   51.179   0.241    8.28    4       78.1       95.7
   69   4   1  -2 25.639  51.278   0.242    8.24    4       17.1        4.6
   70   2   0   3 25.914  51.829   0.244    8.04    2       79.1       47.8
   71   3   2  -1 26.144  52.287   0.246    7.88    4       34.3       17.6
   72   2   0  -5 26.157  52.315   0.246    7.88    2       18.5        2.5
   73   3   2  -2 26.189  52.378   0.247    7.85    4       22.0        7.2
   74   4   1  -1 26.271  52.541   0.247    7.8     4        4.4        0.3
   75   4   1  -3 26.391  52.782   0.248    7.72    4        2.2        0.1
   76   4   0   0 26.447  52.895   0.249    7.68    2       76.0       42.0
   77   4   0  -4 26.687  53.374   0.251    7.52    2       18.5        2.4
   78   1   0   4 26.692  53.383   0.251    7.52    2       24.7        4.3
   79   1   0  -5 26.826  53.652   0.252    7.44    2       37.9       10.1
   80   3   0   2 26.952  53.904   0.253    7.36    2       17.1        2.0
   81   3   0  -5 27.262  54.524   0.256    7.17    2       42.9       12.5
   82   3   2   0 27.453  54.906   0.258    7.05    4       22.0        6.5
   83   3   2  -3 27.585  55.169   0.259    6.98    4       24.7        8.1
   84   2   1   3 27.711  55.422   0.26     6.91    4       47.3       29.3
   85   2   1  -5 27.943  55.886   0.262    6.78    4        3.2        0.1
   86   4   1   0 28.22   56.441   0.264    6.63    4        1.4        0.0
   87   2   2   2 28.371  56.743   0.266    6.55    4       77.1       73.8
   88   1   2   3 28.444  56.888   0.266    6.51    4       29.9       11.0
   89   4   1  -4 28.45   56.899   0.266    6.51    4        0.4        0.0
   90   1   1   4 28.454  56.909   0.266    6.5     4       43.6       23.4
   91   2   2  -4 28.543  57.086   0.267    6.46    4       84.5       87.4
   92   1   2  -4 28.544  57.088   0.267    6.46    4       56.2       38.7
   93   1   1  -5 28.583  57.166   0.267    6.44    4       44.6       24.3
   94   3   1   2 28.704  57.407   0.268    6.38    4       46.4       26.1
   95   3   1  -5 29.001  58.003   0.271    6.23    4        4.3        0.2
   96   0   3   1 29.111  58.221   0.272    6.18    4        0.5        0.0
   97   0   0   5 29.184  58.367   0.273    6.14    2       15.3        1.4
   98   1   3   0 29.305  58.609   0.274    6.09    4       29.4       10.0
   99   1   3  -1 29.319  58.638   0.274    6.08    4        9.9        1.1
  100   4   0   1 29.673  59.346   0.277    5.92    2       23.5        3.1
  101   3   2   1 29.997  59.994   0.279    5.77    4       26.9        8.0
  102   4   0  -5 30.006  60.012   0.28     5.77    2       13.9        1.1
  103   3   2  -4 30.204  60.408   0.281    5.69    4        1.3        0.0
  104   0   2   4 30.207  60.414   0.281    5.69    4       33.0       11.7
  105   5   0  -2 30.327  60.655   0.282    5.64    2       76.6       31.4
  106   5   0  -3 30.396  60.792   0.283    5.61    2       30.5        5.0
  107   1   3   1 30.551  61.102   0.284    5.54    4       25.4        6.8
  108   1   3  -2 30.592  61.185   0.284    5.53    4       18.3        3.5
  109   4   2  -2 30.85   61.7     0.287    5.43    4       37.0       14.1
  110   0   1   5 30.853  61.706   0.287    5.42    4       41.2       17.5
  111   0   3   2 30.997  61.993   0.288    5.37    4        0.4        0.0
  112   2   3  -1 31.156  62.311   0.289    5.31    4       52.6       27.9
  113   4   1   1 31.327  62.654   0.291    5.24    4        8.7        0.8
  114   4   2  -1 31.411  62.823   0.291    5.21    4       29.1        8.4
  115   5   0  -1 31.496  62.992   0.292    5.18    2        9.9        0.5
  116   4   2  -3 31.519  63.038   0.292    5.17    4       24.1        5.7
  117   4   1  -5 31.65   63.299   0.293    5.13    4       64.8       40.8
  118   5   0  -4 31.697  63.394   0.294    5.11    2       24.2        2.8
  119   2   0   4 31.703  63.406   0.294    5.11    2       34.9        5.9
  120   2   3   0 31.741  63.482   0.294    5.1     4       10.2        1.0
  121   2   3  -2 31.794  63.589   0.295    5.08    4        6.3        0.4
  122   5   1  -2 31.961  63.922   0.296    5.02    4       43.9       18.4
  123   2   0  -6 31.97   63.941   0.296    5.02    2       64.0       19.5
  124   3   0   3 32.004  64.009   0.296    5.0     2       24.1        2.8
  125   5   1  -3 32.028  64.056   0.296    5.0     4       39.0       14.4
  126   3   0  -6 32.363  64.726   0.299    4.88    2       82.4       31.5
  127   2   2   3 32.706  65.412   0.302    4.78    4        1.6        0.0
  128   2   2  -5 32.917  65.833   0.304    4.71    4       23.2        4.8
  129   1   3   2 32.974  65.947   0.304    4.69    4       10.9        1.1
  130   1   0   5 33.002  66.005   0.304    4.68    2       52.5       12.3
  131   1   3  -3 33.039  66.078   0.305    4.67    4       94.8       79.7
  132   5   1  -1 33.097  66.194   0.305    4.66    4      102.6       92.9
  133   1   0  -6 33.146  66.293   0.306    4.64    2      132.3       77.1
  134   4   2   0 33.169  66.337   0.306    4.63    4       46.6       19.1
  135   5   1  -4 33.293  66.586   0.307    4.6     4       26.0        5.9
  136   2   1   4 33.299  66.598   0.307    4.6     4       40.5       14.3
  137   4   2  -4 33.377  66.755   0.308    4.57    4      104.5       94.9
  138   1   2   4 33.382  66.763   0.308    4.57    4       70.3       42.9
  139   1   2  -5 33.499  66.998   0.309    4.54    4        5.5        0.3
  140   2   3   1 33.515  67.03    0.309    4.53    4       32.4        9.0
  141   2   1  -6 33.56   67.119   0.309    4.52    4       37.0       11.7
  142   3   1   3 33.593  67.186   0.309    4.51    4       22.8        4.4
  143   3   2   2 33.609  67.219   0.309    4.51    4       61.0       31.8
  144   2   3  -3 33.619  67.238   0.309    4.5     4       21.0        3.8
  145   5   0   0 33.829  67.658   0.311    4.45    2       16.6        1.2
  146   3   2  -5 33.882  67.763   0.312    4.43    4       12.9        1.4
  147   4   0   2 33.884  67.767   0.312    4.43    2        9.7        0.4
  148   3   1  -6 33.943  67.885   0.312    4.41    4        8.9        0.7
  149   0   3   3 34.004  68.008   0.313    4.4     4       65.7       36.0
  150   5   0  -5 34.152  68.304   0.314    4.36    2       10.7        0.5
  151   4   0  -6 34.296  68.593   0.315    4.32    2      139.3       79.6
  152   3   3  -1 34.471  68.943   0.316    4.28    4       89.6       65.1
  153   3   3  -2 34.51   69.02    0.317    4.27    4       28.8        6.7
  154   1   1   5 34.567  69.134   0.317    4.25    4       74.4       44.7
  155   1   1  -6 34.708  69.416   0.318    4.22    4       21.6        3.7
  156   5   1   0 35.376  70.753   0.324    4.06    4       55.5       23.7
  157   4   1   2 35.43   70.859   0.324    4.04    4       77.5       46.2
  158   0   2   5 35.591  71.183   0.325    4.01    4        9.7        0.7
  159   3   3   0 35.593  71.185   0.325    4.01    4       22.9        4.0
  160   5   1  -5 35.693  71.386   0.326    3.99    4       18.8        2.7
  161   3   3  -3 35.706  71.413   0.326    3.98    4       70.1       37.1
  162   0   0   6 35.812  71.625   0.327    3.96    2       35.4        4.7
  163   4   1  -6 35.834  71.669   0.327    3.95    4        7.2        0.4
  164   4   2   1 36.033  72.066   0.329    3.91    4        8.1        0.5
  165   4   2  -5 36.335  72.669   0.331    3.85    4       50.6       18.7
  166   2   3   2 36.392  72.783   0.332    3.84    4       20.1        3.0
  167   1   3   3 36.455  72.91    0.332    3.83    4       21.9        3.5
  168   2   3  -4 36.542  73.084   0.333    3.81    4       24.3        4.3
  169   1   3  -4 36.543  73.086   0.333    3.81    4       14.3        1.5
  170   5   2  -2 36.627  73.253   0.333    3.79    4       19.4        2.7
  171   5   2  -3 36.689  73.378   0.334    3.78    4        3.5        0.1
  172   6   0  -3 37.137  74.273   0.337    3.69    2       44.7        7.0
  173   5   0   1 37.225  74.449   0.338    3.68    2        6.1        0.1
  174   0   1   6 37.324  74.647   0.339    3.66    4        2.8        0.1
  175   6   0  -2 37.627  75.254   0.341    3.61    2       14.4        0.7
  176   5   0  -6 37.659  75.318   0.342    3.6     2       47.5        7.7
  177   5   2  -1 37.696  75.393   0.342    3.59    4       26.5        4.8
  178   6   0  -4 37.776  75.551   0.342    3.58    2       94.1       30.1
  179   3   0   4 37.783  75.565   0.342    3.58    2       55.6       10.5
  180   3   3   1 37.83   75.66    0.343    3.57    4       10.0        0.7
  181   5   2  -4 37.882  75.764   0.343    3.56    4      111.7       84.4
  182   2   2   4 37.887  75.775   0.343    3.56    4       63.5       27.3
  183   3   3  -4 38.015  76.03    0.344    3.54    4        5.2        0.2
  184   0   3   4 38.018  76.035   0.344    3.54    4       17.5        2.1
  185   2   0   5 38.078  76.157   0.345    3.53    2        8.8        0.3
  186   2   2  -6 38.134  76.269   0.345    3.52    4       66.3       29.3
  187   3   2   3 38.166  76.332   0.345    3.52    4       38.7       10.0
  188   3   0  -7 38.19   76.38    0.346    3.51    2        8.4        0.2
  189   2   0  -7 38.374  76.748   0.347    3.48    2       24.0        1.9
  190   3   2  -6 38.498  76.996   0.348    3.46    4       94.4       58.6
  191   4   3  -2 38.596  77.192   0.349    3.45    4        8.7        0.5
  192   6   1  -3 38.629  77.258   0.349    3.44    4       13.1        1.1
  193   5   1   1 38.716  77.431   0.35     3.43    4       25.4        4.2
  194   4   0   3 38.972  77.945   0.352    3.39    2       53.2        9.1
  195   1   2   5 39.093  78.186   0.352    3.38    4       18.2        2.1
  196   4   3  -1 39.105  78.209   0.353    3.37    4        7.5        0.4
  197   6   1  -2 39.113  78.226   0.353    3.37    4       24.7        3.9
  198   5   1  -6 39.145  78.289   0.353    3.37    4       10.5        0.7
  199   4   3  -3 39.203  78.405   0.353    3.36    4        1.6        0.0
  200   1   2  -6 39.227  78.455   0.354    3.36    4       22.2        3.1
  201   6   0  -1 39.232  78.464   0.354    3.36    2       17.1        0.9
  202   6   1  -4 39.26   78.52    0.354    3.35    4       18.7        2.2
  203   3   1   4 39.267  78.534   0.354    3.35    4        1.9        0.0
  204   0   4   0 39.457  78.914   0.355    3.33    2      230.3      167.3
  205   4   0  -7 39.461  78.923   0.355    3.32    2       16.1        0.8
  206   6   0  -5 39.525  79.05    0.356    3.32    2       37.4        4.4
  207   2   1   5 39.559  79.118   0.356    3.31    4       75.5       35.8
  208   3   1  -7 39.67   79.339   0.357    3.3     4       38.0        9.1
  209   1   0   6 39.849  79.698   0.358    3.27    2       20.6        1.3
  210   2   1  -7 39.852  79.703   0.358    3.27    4       40.9       10.4
  211   5   2   0 39.868  79.735   0.358    3.27    4       54.9       18.7
  212   4   2   2 39.919  79.837   0.359    3.26    4      136.0      114.6
  213   1   0  -7 40.007  80.015   0.359    3.25    2       32.3        3.2
  214   0   4   1 40.011  80.022   0.359    3.25    4        4.9        0.2
  215   5   2  -5 40.172  80.343   0.361    3.23    4       11.5        0.8
  216   1   4   0 40.179  80.358   0.361    3.23    4        6.5        0.3
  217   1   4  -1 40.191  80.382   0.361    3.23    4        8.2        0.4
  218   2   3   3 40.29   80.58    0.361    3.22    4       36.5        8.2
  219   4   2  -6 40.308  80.615   0.362    3.22    4       40.1        9.8
  220   4   1   3 40.444  80.887   0.363    3.2     4        1.2        0.0
  221   2   3  -5 40.484  80.968   0.363    3.2     4        5.1        0.2
  222   6   1  -1 40.701  81.402   0.365    3.17    4       39.2        9.3
  223   4   3   0 40.717  81.434   0.365    3.17    4        0.7        0.0
  224   4   3  -4 40.911  81.822   0.366    3.15    4        3.5        0.1
  225   1   3   4 40.915  81.829   0.366    3.15    4       43.6       11.4
  226   4   1  -7 40.928  81.857   0.366    3.15    4       30.8        5.7
  227   6   1  -5 40.992  81.983   0.367    3.14    4        6.9        0.3
  228   1   3  -5 41.024  82.047   0.367    3.14    4       34.1        6.9
  229   3   3   2 41.126  82.253   0.368    3.12    4       26.8        4.3
  230   1   4   1 41.269  82.538   0.369    3.11    4        8.0        0.4
  231   1   4  -2 41.305  82.61    0.369    3.11    4       32.8        6.4
  232   1   1   6 41.313  82.626   0.369    3.11    4        3.1        0.1
  233   3   3  -5 41.38   82.76    0.37     3.1     4       11.5        0.8
  234   1   1  -7 41.47   82.94    0.37     3.09    4        3.4        0.1
  235   5   0   2 41.611  83.223   0.371    3.08    2       73.8       15.9
  236   0   4   2 41.663  83.327   0.372    3.07    4        1.8        0.0
  237   0   2   6 41.747  83.494   0.372    3.06    4       67.5       26.5
  238   2   4  -1 41.805  83.61    0.373    3.06    4        2.1        0.0
  239   6   0   0 41.918  83.836   0.373    3.05    2       27.2        2.1
  240   5   0  -7 42.154  84.307   0.375    3.02    2       10.8        0.3
  241   2   4   0 42.329  84.657   0.376    3.01    4       35.8        7.3
  242   6   0  -6 42.351  84.702   0.377    3.01    2       10.3        0.3
  243   2   4  -2 42.377  84.754   0.377    3.0     4       34.3        6.7
  244   0   3   5 42.989  85.978   0.381    2.95    4       34.1        6.5
  245   6   2  -3 43.018  86.037   0.381    2.95    4       45.6       11.7
  246   0   0   7 43.051  86.103   0.382    2.95    2       20.6        1.2
  247   5   1   2 43.064  86.128   0.382    2.95    4       19.3        2.1
  248   5   2   1 43.103  86.206   0.382    2.95    4       20.0        2.2
  249   6   1   0 43.369  86.738   0.384    2.93    4       15.9        1.4
  250   4   3   1 43.409  86.818   0.384    2.92    4        9.0        0.5
  251   1   4   2 43.446  86.893   0.384    2.92    4       30.9        5.3
  252   6   2  -2 43.492  86.984   0.385    2.92    4       71.6       28.4
  253   1   4  -3 43.506  87.013   0.385    2.92    4       10.0        0.6
  254   5   2  -6 43.523  87.046   0.385    2.92    4       37.1        7.6
  255   5   1  -7 43.604  87.208   0.386    2.91    4        0.2        0.0
  256   6   2  -4 43.636  87.272   0.386    2.91    4       72.7       29.2
  257   3   2   4 43.643  87.286   0.386    2.91    4        7.1        0.3
  258   4   3  -5 43.697  87.393   0.386    2.9     4       53.3       15.6
  259   6   1  -6 43.801  87.602   0.387    2.9     4       25.6        3.6
  260   2   2   5 43.93   87.86    0.388    2.89    4       28.8        4.5
  261   2   4   1 43.943  87.886   0.388    2.89    4       37.8        7.8
  262   5   3  -2 43.976  87.952   0.388    2.89    4       45.1       11.1
  263   5   3  -3 44.036  88.072   0.389    2.88    4       28.5        4.4
  264   3   2  -7 44.039  88.077   0.389    2.88    4       11.0        0.7
  265   2   4  -3 44.039  88.078   0.389    2.88    4        2.4        0.0
  266   2   2  -7 44.218  88.435   0.39     2.87    4       14.2        1.1
  267   3   0   5 44.362  88.724   0.391    2.86    2       69.6       13.2
  268   0   4   3 44.395  88.791   0.391    2.86    4       14.8        1.2
  269   0   1   7 44.499  88.998   0.392    2.85    4       53.2       15.3
  270   4   2   3 44.801  89.603   0.394    2.84    4       75.5       30.7
  271   3   0  -8 44.829  89.658   0.394    2.84    2       92.3       22.9
  272   3   4  -1 44.83   89.661   0.394    2.84    4       11.4        0.7
  273   3   4  -2 44.866  89.732   0.394    2.84    4       49.7       13.3
  274   7   0  -3 44.87   89.741   0.394    2.83    2       26.8        1.9
  275   7   0  -4 44.954  89.909   0.395    2.83    2       32.5        2.8
  276   4   0   4 44.963  89.926   0.395    2.83    2       61.5       10.2


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (angs.):

  No   H   K   L   Theta 2*Theta    d           I int   I int.n.  I p.h.n.   H(Si)
                    ( degree )   (angstrem)     *100                         *100

    1   0   0   1   5.596  11.193  9.17189        6.7      1.0      1.0     5.6
    2   1   0   0   6.393  12.786  8.03331       30.0      4.5      4.6     5.6
    3   1   0  -1   6.447  12.893  7.96642       25.5      3.8      3.9     5.6
    4   1   0   1  10.175  20.351  5.06312       14.1      2.1      2.1     5.6
    5   1   0  -2  10.278  20.556  5.013        180.1     27.1     27.4     5.6
    6   1   1   0  11.187  22.373  4.61047       22.3      3.3      3.4     5.6
    7   1   1  -1  11.218  22.436  4.59772       22.0      3.3      3.3     5.6
    8   2   0   0  12.867  25.734  4.01666      135.2     20.3     20.5     5.6
    9   2   0  -2  12.977  25.954  3.98321      118.6     17.8     18.0     5.6
   10   1   1   1  13.745  27.489  3.76468       36.2      5.4      5.5     5.6
   11   1   1  -2  13.822  27.644  3.74394       17.0      2.6      2.6     5.6
   12   2   1  -1  14.856  29.713  3.4886       226.8     34.1     34.3     5.6
   13   1   0   2  15.234  30.468  3.4041        68.0     10.2     10.3     5.6
   14   2   0   1  16.186  32.372  3.20879       74.5     11.2     11.2     5.6
   15   0   0   3  17.012  34.023  3.0573        20.6      3.1      3.1     5.7
   16   3   0  -2  17.835  35.671  2.92035       88.3     13.3     13.3     5.7
   17   1   1   2  17.882  35.764  2.91302        8.5      1.3      1.3     5.7
   18   1   1  -3  17.984  35.968  2.897        665.6    100.0    100.0     5.7
   19   0   2   0  18.527  37.054  2.815        283.4     42.6     42.5     5.7
   20   2   1   1  18.714  37.429  2.78779       56.0      8.4      8.4     5.7
   21   2   1  -3  18.871  37.743  2.76542       25.7      3.9      3.9     5.7
   22   0   1   3  19.446  38.892  2.68671      214.4     32.2     32.1     5.7
   23   3   0   0  19.514  39.027  2.67777      123.3     18.5     18.5     5.7
   24   1   2   0  19.675  39.351  2.65662      132.0     19.8     19.8     5.7
   25   3   1  -1  20.129  40.257  2.59921      301.4     45.3     45.1     5.7
   26   3   1  -2  20.184  40.368  2.59235       10.2      1.5      1.5     5.7
   27   2   0   2  20.691  41.382  2.53156      116.6     17.5     17.4     5.7
   28   1   0  -4  20.908  41.817  2.50637       22.3      3.4      3.3     5.7
   29   1   2  -2  21.372  42.744  2.45449       59.8      9.0      8.9     5.7
   30   3   1   0  21.709  43.418  2.41818        7.3      1.1      1.1     5.7
   31   3   1  -3  21.865  43.73   2.40173      374.1     56.2     55.8     5.7
   32   2   2  -1  22.093  44.186  2.37817       30.1      4.5      4.5     5.7
   33   2   1   2  22.793  45.586  2.30888       10.6      1.6      1.6     5.7
   34   2   2  -2  22.898  45.796  2.29886      107.0     16.1     15.9     5.7
   35   3   0  -4  22.957  45.913  2.29328        9.6      1.4      1.4     5.7
   36   2   1  -4  22.993  45.987  2.28982       46.2      6.9      6.9     5.7
   37   4   0  -2  23.733  47.467  2.22237        7.2      1.1      1.1     5.7
   38   4   0  -1  24.401  48.801  2.16516      111.5     16.8     16.5     5.7
   39   1   2  -3  24.43   48.86   2.16271       48.5      7.3      7.2     5.7
   40   4   0  -3  24.528  49.056  2.15463        9.5      1.4      1.4     5.7
   41   0   1   4  24.91   49.821  2.1236        12.8      1.9      1.9     5.7
   42   2   2   1  25.005  50.009  2.11611      115.5     17.3     17.1     5.7
   43   2   2  -3  25.129  50.259  2.10628      130.8     19.6     19.4     5.8
   44   0   2   3  25.59   51.179  2.07087       95.7     14.4     14.2     5.8
   45   2   0   3  25.914  51.829  2.04669       47.8      7.2      7.1     5.8
   46   3   2  -1  26.144  52.287  2.03          20.1      3.0      3.0     5.8
   47   3   2  -2  26.189  52.378  2.02673        7.2      1.1      1.1     5.8
   48   4   0   0  26.447  52.895  2.00833       42.0      6.3      6.2     5.8
   49   1   0   4  26.692  53.383  1.99127        6.8      1.0      1.0     5.8
   50   1   0  -5  26.826  53.652  1.98205       10.1      1.5      1.5     5.8
   51   3   0  -5  27.262  54.524  1.95272       12.5      1.9      1.8     5.8
   52   3   2  -3  27.585  55.169  1.93164        8.1      1.2      1.2     5.8
   53   2   1   3  27.711  55.422  1.92353       29.3      4.4      4.3     5.8
   54   2   2   2  28.371  56.743  1.88234       73.8     11.1     10.8     5.8
   55   1   1   4  28.454  56.909  1.87731       34.4      5.2      5.1     5.8
   56   2   2  -4  28.543  57.086  1.87197      126.1     18.9     18.5     5.8
   57   1   1  -5  28.583  57.166  1.86958       24.3      3.6      3.6     5.8
   58   3   1   2  28.704  57.407  1.86237       26.1      3.9      3.8     5.8
   59   1   3   0  29.305  58.609  1.82746       11.1      1.7      1.6     5.8
   60   3   2   1  29.997  59.994  1.78908        9.0      1.4      1.3     5.8
   61   0   2   4  30.207  60.414  1.77782       11.7      1.8      1.7     5.8
   62   5   0  -2  30.327  60.655  1.77142       31.4      4.7      4.6     5.8
   63   1   3   1  30.551  61.102  1.75968        6.8      1.0      1.0     5.8
   64   0   1   5  30.853  61.706  1.74413       31.6      4.7      4.6     5.8
   65   2   3  -1  31.156  62.311  1.72888       27.9      4.2      4.1     5.8
   66   4   2  -1  31.411  62.823  1.71622        8.4      1.3      1.2     5.9
   67   4   1  -5  31.65   63.299  1.70463       40.8      6.1      5.9     5.9
   68   2   0   4  31.703  63.406  1.70205        8.8      1.3      1.3     5.9
   69   2   0  -6  31.97   63.941  1.68931       37.9      5.7      5.5     5.9
   70   5   1  -3  32.028  64.056  1.68661       17.2      2.6      2.5     5.9
   71   3   0  -6  32.363  64.726  1.671         31.5      4.7      4.6     5.9
   72   1   0   5  33.002  66.005  1.6422        13.3      2.0      1.9     5.9
   73   1   3  -3  33.039  66.078  1.64057       79.7     12.0     11.5     5.9
   74   5   1  -1  33.097  66.194  1.63803       92.9     14.0     13.4     5.9
   75   1   0  -6  33.146  66.293  1.63587       96.2     14.5     13.9     5.9
   76   2   1   4  33.299  66.598  1.62923       20.2      3.0      2.9     5.9
   77   4   2  -4  33.377  66.755  1.62584      137.8     20.7     19.9     5.9
   78   2   3   1  33.515  67.03   1.61995        9.0      1.4      1.3     5.9
   79   2   1  -6  33.56   67.119  1.61804       11.7      1.8      1.7     5.9
   80   3   2   2  33.609  67.219  1.61593       40.0      6.0      5.8     5.9
   81   0   3   3  34.004  68.008  1.59939       36.0      5.4      5.2     5.9
   82   4   0  -6  34.296  68.593  1.5874        79.6     12.0     11.5     5.9
   83   3   3  -1  34.471  68.943  1.58033       65.1      9.8      9.4     5.9
   84   3   3  -2  34.51   69.02   1.57878        6.7      1.0      1.0     5.9
   85   1   1   5  34.567  69.134  1.5765        44.7      6.7      6.4     5.9
   86   5   1   0  35.376  70.753  1.54498       23.7      3.6      3.4     5.9
   87   4   1   2  35.43   70.859  1.54297       46.2      6.9      6.6     5.9
   88   3   3  -3  35.706  71.413  1.53257       39.8      6.0      5.7     5.9
   89   4   2  -5  36.335  72.669  1.50964       18.7      2.8      2.7     6.0
   90   6   0  -3  37.137  74.273  1.48158        7.0      1.1      1.0     6.0
   91   5   0  -6  37.659  75.318  1.46403        7.7      1.2      1.1     6.0
   92   6   0  -4  37.776  75.551  1.46018       40.6      6.1      5.8     6.0
   93   5   2  -4  37.882  75.764  1.45669      111.7     16.8     15.9     6.0
   94   2   2  -6  38.134  76.269  1.4485        29.3      4.4      4.2     6.0
   95   3   2   3  38.166  76.332  1.44749       10.2      1.5      1.5     6.0
   96   3   2  -6  38.498  76.996  1.43691       58.6      8.8      8.3     6.0
   97   4   0   3  38.972  77.945  1.42216        9.1      1.4      1.3     6.0
   98   0   4   0  39.457  78.914  1.4075       168.1     25.3     23.7     6.0
   99   2   1   5  39.559  79.118  1.40445       35.8      5.4      5.1     6.0
  100   3   1  -7  39.67   79.339  1.40119        9.1      1.4      1.3     6.0
  101   5   2   0  39.868  79.735  1.39538       30.4      4.6      4.3     6.0
  102   4   2   2  39.919  79.837  1.39389      114.6     17.2     16.1     6.0
  103   4   2  -6  40.308  80.615  1.38271       18.0      2.7      2.5     6.1
  104   6   1  -1  40.701  81.402  1.37163        9.3      1.4      1.3     6.1
  105   1   3   4  40.915  81.829  1.36572       17.0      2.6      2.4     6.1
  106   1   3  -5  41.024  82.047  1.36274        6.9      1.0      1.0     6.1
  107   5   0   2  41.611  83.223  1.34693       15.9      2.4      2.2     6.1
  108   0   2   6  41.747  83.494  1.34336       26.5      4.0      3.7     6.1
  109   2   4   0  42.329  84.657  1.32831        7.6      1.1      1.1     6.1
  110   2   4  -2  42.377  84.754  1.32709        6.7      1.0      0.9     6.1
  111   6   2  -3  43.018  86.037  1.31108       18.2      2.7      2.5     6.1
  112   6   2  -2  43.492  86.984  1.2996        28.9      4.3      4.0     6.1
  113   5   2  -6  43.523  87.046  1.29887        7.6      1.1      1.1     6.1
  114   6   2  -4  43.636  87.272  1.29618       29.5      4.4      4.1     6.2
  115   4   3  -5  43.697  87.393  1.29474       15.6      2.3      2.2     6.2
  116   2   4   1  43.943  87.886  1.28895       12.4      1.9      1.7     6.2
  117   5   3  -2  43.976  87.952  1.28818       11.1      1.7      1.5     6.2
  118   3   0   5  44.362  88.724  1.27929       13.2      2.0      1.8     6.2
  119   0   1   7  44.499  88.998  1.27617       15.3      2.3      2.1     6.2
  120   4   2   3  44.801  89.603  1.26936       54.3      8.2      7.5     6.2
  121   3   4  -2  44.866  89.732  1.26792       15.2      2.3      2.1     6.2
  122   4   0   4  44.963  89.926  1.26578       13.0      2.0      1.8     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)