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

12, t-epidote, syn, f-epidote, s-epidote

Ca(2)Al(2)(Fe,Mn)Si(3)O(12)(OH)


Monoclinic  P 2(1)/m  Z = 2

P2(1)/m

1 .8 .13

Ref.Str.:

         Nagashima M., Akasada M. (2010)

         * Amer. Mineral., 95, 1237-1246

         R: N.A.D

                   Initial data from BDM-file 

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

             a =   8.8831   alpha =   90.0 
             b =   5.6687   beta  =  115.45
             c =  10.1715   gamma =   90.0 

    Unit cell volume (cub. angs.) =   462.49

    Molar volume ( cub.cm/mol.) =   139.29

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

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

   1 0.7558  0.75    0.1547   0.0    Ca    = 1.00
   2 0.5993  0.75    0.4212   0.0    Ca    = 1.00
   3 0.0     0.0     0.0      0.0    Al    = 0.78, Fe    = 0.01, Mn    = 0.21
   4 0.0     0.0     0.5      0.0    Al    = 1.00
   5 0.3002  0.25    0.2253   0.0    Fe    = 0.11, Al    = 0.32, Mn    = 0.57
   6 0.3408  0.75    0.0469   0.0    Si    = 1.00
   7 0.6867  0.25    0.2784   0.0    Si    = 1.00
   8 0.1879  0.75    0.3226   0.0    Si    = 1.00
   9 0.2313  0.983   0.0329   0.0    O     = 1.00
  10 0.3097  0.981   0.362    0.0    O     = 1.00
  11 0.796   0.016   0.3449   0.0    O     = 1.00
  12 0.066   0.25    0.133    0.0    O     = 1.00
  13 0.042   0.75    0.153    0.0    O     = 1.00
  14 0.062   0.75    0.409    0.0    O     = 1.00
  15 0.522   0.75    0.182    0.0    O     = 1.00
  16 0.525   0.25    0.303    0.0    O     = 1.00
  17 0.622   0.25    0.1      0.0    O     = 1.00
  18 0.075   0.25    0.417    0.0    OH    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7558     0.75       0.1547
     2       2     0.5993     0.75       0.4212
     3       3     0.0        0.0        0.0   
     4       4     0.0        0.0        0.5   
     5       5     0.3002     0.25       0.2253
     6       6     0.3408     0.75       0.0469
     7       7     0.6867     0.25       0.2784
     8       8     0.1879     0.75       0.3226
     9       9     0.2313     0.983      0.0329
    10      10     0.3097     0.981      0.362 
    11      11     0.796      0.016      0.3449
    12      12     0.066      0.25       0.133 
    13      13     0.042      0.75       0.153 
    14      14     0.062      0.75       0.409 
    15      15     0.522      0.75       0.182 
    16      16     0.525      0.25       0.303 
    17      17     0.622      0.25       0.1   
    18      18     0.075      0.25       0.417 
    19       1     0.2442     0.25       0.8453
    20       2     0.4007     0.25       0.5788
    21       3     0.0        0.5        0.0   
    22       4     0.0        0.5        0.5   
    23       5     0.6998     0.75       0.7747
    24       6     0.6592     0.25       0.9531
    25       7     0.3133     0.75       0.7216
    26       8     0.8121     0.25       0.6774
    27       9     0.7687     0.483      0.9671
    28      10     0.6903     0.481      0.638 
    29      11     0.204      0.516      0.6551
    30      12     0.934      0.75       0.867 
    31      13     0.958      0.25       0.847 
    32      14     0.938      0.25       0.591 
    33      15     0.478      0.25       0.818 
    34      16     0.475      0.75       0.697 
    35      17     0.378      0.75       0.9   
    36      18     0.925      0.75       0.583 
    37       9     0.2313     0.517      0.0329
    38      10     0.3097     0.519      0.362 
    39      11     0.796      0.484      0.3449
    40       9     0.7687     0.017      0.9671
    41      10     0.6903     0.019      0.638 
    42      11     0.204      0.984      0.6551


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

MU (1/cm) =     255.931    Mass attenuation coefficient (cm**2/g) =     74.333

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

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

    1    Ca                  2.928        7
                                                 2.3559      11
                                                 2.5498      13
                                                 2.8359      14
                                                 2.2105      15
                                                 2.4765       9
                                                 2.3559      11
                                                 2.4765       9
    2    Ca                  2.928        8
                                                 2.7137      10
                                                 2.6636      11
                                                 2.226       15
                                                 2.5119      10
                                                 2.6433      18
                                                 2.7137      10
                                                 2.6636      11
                                                 2.5119      10
    3   Al   ,Fe   ,Mn       2.772        6
                                                 1.937        9
                                                 1.871       12
                                                 2.0175      13
                                                 1.871       12
                                                 2.0175      13
                                                 1.937        9
    4    Al                  2.364        6
                                                 1.8232      11
                                                 1.8991      14
                                                 1.9101      18
                                                 1.8991      14
                                                 1.9101      18
                                                 1.8232      11
    5   Fe   ,Al   ,Mn       2.772        6
                                                 2.3379       9
                                                 2.0408      10
                                                 1.8791      12
                                                 1.8044      16
                                                 2.3379       9
                                                 2.0408      10
    6    Si                  2.148        4
                                                 1.6099       9
                                                 1.6057      15
                                                 1.6632      17
                                                 1.6099       9
    7    Si                  2.148        4
                                                 1.611       11
                                                 1.5604      16
                                                 1.6513      17
                                                 1.611       11
    8    Si                  2.148        4
                                                 1.635       10
                                                 1.6535      13
                                                 1.6935      14
                                                 1.635       10
    9    O                   3.312       10
                                                 3.1124      10
                                                 2.6016      12
                                                 2.7982      13
                                                 2.7105      15
                                                 3.2381      16
                                                 2.7815      12
                                                 2.7955      13
                                                 2.6046      17
                                                 3.0271       9
                                                 2.6416       9
   10    O                   3.312        8
                                                 3.1124       9
                                                 2.8467      12
                                                 2.7467      13
                                                 2.7729      14
                                                 2.7073      16
                                                 2.8262      18
                                                 3.0498      10
                                                 2.6189      10
   11    O                   3.312        9
                                                 2.6378      14
                                                 2.7345      15
                                                 2.6181      16
                                                 2.6542      17
                                                 2.6225      18
                                                 2.6273      14
                                                 2.6584      18
                                                 2.653       11
                                                 3.0157      11
   12    O                   3.312       10
                                                 2.6016       9
                                                 2.8467      10
                                                 2.8562      13
                                                 2.8562      13
                                                 2.8553      18
                                                 2.7815       9
                                                 2.6428      13
                                                 2.6016       9
                                                 2.8467      10
                                                 2.7815       9
   13    O                   3.312       10
                                                 2.7982       9
                                                 2.7467      10
                                                 2.8562      12
                                                 2.8562      12
                                                 2.5326      14
                                                 2.7955       9
                                                 2.6428      12
                                                 2.7982       9
                                                 2.7467      10
                                                 2.7955       9
   14    O                   3.312       10
                                                 2.7729      10
                                                 2.6378      11
                                                 2.5326      13
                                                 2.8364      18
                                                 2.8364      18
                                                 2.6274      11
                                                 2.5425      18
                                                 2.7729      10
                                                 2.6378      11
                                                 2.6274      11
   15    O                   3.312        9
                                                 2.7105       9
                                                 2.7345      11
                                                 3.0856      16
                                                 3.0856      16
                                                 3.1867      17
                                                 3.1867      17
                                                 2.5904      17
                                                 2.7105       9
                                                 2.7345      11
   16    O                   3.312        9
                                                 3.2381       9
                                                 2.7073      10
                                                 2.6181      11
                                                 3.0856      15
                                                 3.0856      15
                                                 2.5564      17
                                                 3.2381       9
                                                 2.7073      10
                                                 2.6181      11
   17    O                   3.312        8
                                                 2.6542      11
                                                 3.1867      15
                                                 3.1867      15
                                                 2.5564      16
                                                 2.6046       9
                                                 2.5904      15
                                                 2.6542      11
                                                 2.6046       9
   18    OH                  3.36        10
                                                 2.8262      10
                                                 2.6225      11
                                                 2.8553      12
                                                 2.8364      14
                                                 2.8364      14
                                                 2.6584      11
                                                 2.5425      14
                                                 2.8262      10
                                                 2.6225      11
                                                 2.6584      11

  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  5.589  11.178   0.054  207.9     2        8.2       13.0
    2   1   0   0  6.403  12.805   0.062  157.87    2       14.4       30.7
    3   1   0  -1  6.441  12.883   0.063  155.94    2       13.2       25.5
    4   1   0   1 10.183  20.365   0.099   61.08    2        5.0        1.4
    5   1   0  -2 10.257  20.514   0.1     60.17    2       59.8      200.9
    6   0   1   1 10.686  21.372   0.104   55.27    4        5.8        3.5
    7   1   1   0 11.141  22.281   0.108   50.68    4        9.8        9.1
    8   1   1  -1 11.163  22.327   0.108   50.46    4       16.7       26.3
    9   0   0   2 11.232  22.463   0.109   49.82    2        3.9        0.7
   10   2   0  -1 11.618  23.237   0.113   46.43    2        3.0        0.4
   11   2   0   0 12.887  25.774   0.125   37.35    2       50.4       88.8
   12   2   0  -2 12.966  25.932   0.125   36.87    2       63.2      137.8
   13   1   1   1 13.707  27.415   0.132   32.78    4       22.4       30.8
   14   1   1  -2 13.763  27.527   0.133   32.49    4       17.7       19.0
   15   0   1   2 14.517  29.034   0.14    29.01    4        0.6        0.0
   16   2   1  -1 14.824  29.647   0.143   27.74    4       63.7      210.4
   17   1   0   2 15.234  30.467   0.147   26.16    2       59.5       86.7
   18   1   0  -3 15.319  30.637   0.148   25.85    2        5.1        0.6
   19   2   1   0 15.855  31.71    0.153   24.01    4       10.5        4.9
   20   2   1  -2 15.92   31.841   0.153   23.79    4        7.6        2.5
   21   2   0   1 16.206  32.412   0.156   22.9     2       53.5       61.3
   22   2   0  -3 16.335  32.669   0.157   22.51    2       13.4        3.8
   23   0   0   3 16.988  33.975   0.163   20.67    2       41.6       33.5
   24   3   0  -1 17.795  35.59    0.171   18.68    2       24.7       10.6
   25   3   0  -2 17.84   35.679   0.171   18.58    2       75.4       98.7
   26   1   1   2 17.848  35.696   0.171   18.56    4       20.8       15.1
   27   1   1  -3 17.922  35.844   0.172   18.39    4      142.2      695.6
   28   0   2   0 18.396  36.791   0.176   17.37    2      125.1      254.0
   29   2   1   1 18.7    37.4     0.179   16.75    4       43.8       60.2
   30   2   1  -3 18.813  37.627   0.18    16.53    4       23.2       16.7
   31   0   2   1 19.285  38.57    0.185   15.65    4        8.4        2.0
   32   0   1   3 19.393  38.787   0.186   15.46    4       83.8      203.1
   33   3   0   0 19.545  39.089   0.187   15.19    2       94.0      125.6
   34   1   2   0 19.554  39.109   0.187   15.18    4       74.9      159.1
   35   1   2  -1 19.568  39.136   0.187   15.15    4       11.2        3.6
   36   3   0  -3 19.668  39.335   0.188   14.98    2       12.9        2.3
   37   3   1  -1 20.117  40.235   0.192   14.25    4      100.7      270.4
   38   3   1  -2 20.158  40.315   0.193   14.19    4       21.6       12.3
   39   2   0   2 20.706  41.412   0.198   13.36    2       90.1      101.3
   40   1   0   3 20.774  41.547   0.198   13.26    2        5.7        0.4
   41   2   0  -4 20.862  41.725   0.199   13.14    2        9.1        1.0
   42   1   0  -4 20.865  41.73    0.199   13.14    2       41.1       20.8
   43   1   2   1 21.206  42.412   0.202   12.67    4       14.9        5.2
   44   1   2  -2 21.244  42.489   0.203   12.62    4       52.9       66.1
   45   3   1   0 21.709  43.417   0.207   12.02    4        8.4        1.6
   46   0   2   2 21.768  43.536   0.207   11.94    4       94.6      199.7
   47   3   1  -3 21.821  43.643   0.208   11.88    4       96.3      206.1
   48   2   2  -1 21.985  43.97    0.209   11.68    4       32.7       23.4
   49   2   2   0 22.733  45.466   0.216   10.83    4       13.7        3.8
   50   3   0   1 22.739  45.477   0.216   10.83    2       12.7        1.6
   51   2   1   2 22.779  45.559   0.216   10.78    4       27.5       15.2
   52   2   2  -2 22.781  45.562   0.216   10.78    4       61.4       76.1
   53   1   1   3 22.842  45.684   0.217   10.71    4       40.2       32.3
   54   3   0  -4 22.92   45.84    0.218   10.63    2       32.3       10.4
   55   2   1  -4 22.924  45.848   0.218   10.63    4       38.9       30.1
   56   1   1  -4 22.927  45.853   0.218   10.63    4       25.7       13.1
   57   0   0   4 22.927  45.853   0.218   10.63    2        9.3        0.9
   58   4   0  -2 23.752  47.504   0.225    9.81    2       18.7        3.2
   59   1   2   2 24.245  48.491   0.23     9.36    4       15.5        4.2
   60   1   2  -3 24.303  48.606   0.23     9.31    4       50.8       45.0
   61   4   0  -1 24.435  48.87    0.231    9.2     2      112.2      108.2
   62   4   0  -3 24.527  49.053   0.232    9.12    2       44.5       16.9
   63   3   1   1 24.676  49.353   0.233    8.99    4        2.3        0.1
   64   3   1  -4 24.847  49.694   0.235    8.85    4        6.4        0.7
   65   0   1   4 24.853  49.707   0.235    8.85    4       30.8       15.7
   66   2   2   1 24.916  49.832   0.235    8.8     4       89.2      131.0
   67   2   2  -3 25.006  50.012   0.236    8.73    4       86.3      121.5
   68   0   2   3 25.471  50.943   0.24     8.37    4       78.9       97.3
   69   4   1  -2 25.632  51.264   0.242    8.25    4       19.5        5.9
   70   2   0   3 25.922  51.845   0.244    8.04    2       76.2       43.6
   71   3   2  -1 26.06   52.119   0.246    7.94    4       31.1       14.3
   72   3   2  -2 26.092  52.185   0.246    7.92    4       18.5        5.1
   73   2   0  -5 26.098  52.196   0.246    7.92    2       12.0        1.1
   74   4   1  -1 26.278  52.557   0.247    7.79    4        9.7        1.4
   75   4   1  -3 26.365  52.731   0.248    7.73    4        1.7        0.0
   76   4   0   0 26.491  52.982   0.249    7.65    2       73.7       38.9
   77   4   0  -4 26.664  53.327   0.251    7.54    2       17.7        2.2
   78   1   0   4 26.674  53.348   0.251    7.53    2       17.6        2.2
   79   1   0  -5 26.771  53.541   0.252    7.47    2       44.8       14.0
   80   3   0   2 26.982  53.965   0.254    7.34    2       14.5        1.4
   81   3   0  -5 27.206  54.412   0.256    7.2     2       34.9        8.2
   82   3   2   0 27.381  54.761   0.257    7.1     4       16.3        3.5
   83   3   2  -3 27.476  54.951   0.258    7.04    4       14.0        2.6
   84   2   1   3 27.695  55.389   0.26     6.92    4       44.5       25.6
   85   2   1  -5 27.862  55.725   0.261    6.82    4        1.0        0.0
   86   4   1   0 28.238  56.477   0.264    6.62    4        2.4        0.1
   87   2   2   2 28.289  56.579   0.265    6.59    4       73.8       67.1
   88   1   2   3 28.343  56.686   0.265    6.56    4       18.3        4.1
   89   4   1  -4 28.404  56.808   0.266    6.53    4        7.8        0.7
   90   2   2  -4 28.413  56.827   0.266    6.53    4       86.9       92.2
   91   1   1   4 28.414  56.828   0.266    6.52    4       43.8       23.4
   92   1   2  -4 28.415  56.831   0.266    6.52    4       56.5       38.9
   93   1   1  -5 28.507  57.013   0.267    6.48    4       48.2       28.2
   94   3   1   2 28.71   57.419   0.269    6.37    4       35.6       15.1
   95   0   3   1 28.9    57.8     0.27     6.28    4        1.9        0.0
   96   3   1  -5 28.924  57.849   0.27     6.27    4        7.4        0.6
   97   1   3   0 29.099  58.199   0.272    6.18    4       32.1       11.9
   98   1   3  -1 29.11   58.219   0.272    6.18    4       14.5        2.4
   99   0   0   5 29.14   58.28    0.272    6.16    2       37.1        7.9
  100   4   0   1 29.72   59.44    0.277    5.9     2       30.5        5.1
  101   3   2   1 29.933  59.867   0.279    5.8     4       23.1        5.8
  102   4   0  -5 29.96   59.921   0.279    5.79    2        1.8        0.0
  103   3   2  -4 30.083  60.166   0.28     5.74    4        5.9        0.4
  104   0   2   4 30.089  60.177   0.28     5.74    4       40.6       17.7
  105   1   3   1 30.351  60.703   0.282    5.63    4       20.9        4.6
  106   5   0  -2 30.361  60.723   0.283    5.62    2       78.8       32.6
  107   1   3  -2 30.381  60.762   0.283    5.61    4       14.8        2.3
  108   5   0  -3 30.411  60.822   0.283    5.6     2       37.7        7.5
  109   4   2  -2 30.776  61.552   0.286    5.45    4       37.8       14.6
  110   0   1   5 30.788  61.577   0.286    5.45    4       38.8       15.4
  111   0   3   2 30.789  61.577   0.286    5.45    4        2.4        0.1
  112   2   3  -1 30.959  61.918   0.288    5.38    4       51.9       27.1
  113   4   1   1 31.35   62.701   0.291    5.24    4       11.7        1.3
  114   4   2  -1 31.352  62.704   0.291    5.24    4       19.5        3.7
  115   4   2  -3 31.43   62.859   0.291    5.21    4       25.0        6.1
  116   5   0  -1 31.545  63.089   0.292    5.17    2       21.0        2.1
  117   2   3   0 31.552  63.105   0.293    5.16    4       10.0        1.0
  118   4   1  -5 31.583  63.166   0.293    5.15    4       66.7       42.9
  119   2   3  -2 31.591  63.182   0.293    5.15    4        7.6        0.6
  120   5   0  -4 31.69   63.379   0.294    5.11    2       13.2        0.8
  121   2   0   4 31.703  63.405   0.294    5.11    2       38.6        7.1
  122   2   0  -6 31.896  63.791   0.295    5.04    2       68.8       22.3
  123   5   1  -2 31.972  63.945   0.296    5.02    4       36.4       12.4
  124   5   1  -3 32.02   64.041   0.296    5.0     4       36.6       12.5
  125   3   0   3 32.03   64.059   0.296    5.0     2       16.4        1.3
  126   3   0  -6 32.289  64.577   0.299    4.91    2       69.0       21.9
  127   2   2   3 32.626  65.253   0.301    4.8     4        9.0        0.7
  128   2   2  -5 32.779  65.557   0.303    4.75    4       21.2        4.0
  129   1   3   2 32.779  65.558   0.303    4.75    4        8.9        0.7
  130   1   3  -3 32.827  65.653   0.303    4.74    4       92.0       75.0
  131   1   0   5 32.974  65.948   0.304    4.69    2       42.8        8.0
  132   1   0  -6 33.078  66.156   0.305    4.66    2      136.4       81.1
  133   4   2   0 33.12   66.241   0.305    4.65    4       48.3       20.3
  134   5   1  -1 33.123  66.246   0.305    4.65    4       98.5       84.3
  135   5   1  -4 33.264  66.529   0.307    4.61    4       31.0        8.3
  136   4   2  -4 33.271  66.543   0.307    4.6     4      112.1      108.3
  137   2   1   4 33.277  66.554   0.307    4.6     4       36.6       11.5
  138   1   2   4 33.28   66.561   0.307    4.6     4       79.4       54.2
  139   2   3   1 33.334  66.668   0.307    4.59    4       35.4       10.7
  140   1   2  -5 33.365  66.73    0.307    4.58    4        5.2        0.2
  141   2   3  -3 33.409  66.818   0.308    4.56    4       12.9        1.4
  142   2   1  -6 33.465  66.93    0.308    4.55    4       29.1        7.2
  143   3   2   2 33.551  67.101   0.309    4.52    4       68.6       39.8
  144   3   1   3 33.596  67.192   0.309    4.51    4       17.3        2.5
  145   3   2  -5 33.747  67.495   0.311    4.47    4       12.4        1.3
  146   0   3   3 33.798  67.597   0.311    4.45    4       61.6       31.6
  147   3   1  -6 33.849  67.697   0.311    4.44    4       12.7        1.3
  148   5   0   0 33.888  67.776   0.312    4.43    2       24.3        2.4
  149   4   0   2 33.93   67.861   0.312    4.42    2        1.8        0.0
  150   5   0  -5 34.121  68.241   0.314    4.37    2       15.2        0.9
  151   4   0  -6 34.228  68.457   0.314    4.34    2      151.5       93.1
  152   3   3  -1 34.295  68.59    0.315    4.32    4       91.3       67.4
  153   3   3  -2 34.323  68.645   0.315    4.31    4       28.2        6.4
  154   1   1   5 34.518  69.037   0.317    4.26    4       70.6       39.7
  155   1   1  -6 34.62   69.24    0.318    4.24    4       27.7        6.1
  156   5   1   0 35.413  70.826   0.324    4.05    4       50.8       19.6
  157   3   3   0 35.426  70.852   0.324    4.05    4       19.4        2.8
  158   4   1   2 35.455  70.909   0.324    4.04    4       78.4       46.4
  159   0   2   5 35.469  70.938   0.324    4.04    4        3.8        0.1
  160   3   3  -3 35.508  71.016   0.325    4.03    4       65.4       32.2
  161   5   1  -5 35.641  71.283   0.326    4.0     4       19.7        2.9
  162   4   1  -6 35.747  71.494   0.327    3.97    4        4.3        0.1
  163   0   0   6 35.756  71.511   0.327    3.97    2       43.3        7.0
  164   4   2   1 35.993  71.986   0.329    3.92    4        6.9        0.4
  165   4   2  -5 36.211  72.421   0.33     3.88    4       47.2       16.1
  166   2   3   2 36.217  72.433   0.33     3.87    4       22.2        3.6
  167   1   3   3 36.264  72.527   0.331    3.86    4       17.2        2.1
  168   2   3  -4 36.325  72.651   0.331    3.85    4       21.5        3.3
  169   1   3  -4 36.327  72.654   0.331    3.85    4       12.9        1.2
  170   5   2  -2 36.575  73.151   0.333    3.8     4       26.5        5.0
  171   5   2  -3 36.62   73.241   0.333    3.79    4        1.6        0.0
  172   6   0  -3 37.169  74.339   0.338    3.69    2       48.8        8.2
  173   0   1   6 37.248  74.495   0.338    3.67    4       12.4        1.1
  174   5   0   1 37.289  74.578   0.339    3.67    2        5.7        0.1
  175   5   0  -6 37.602  75.204   0.341    3.61    2       46.7        7.4
  176   5   2  -1 37.66   75.32    0.342    3.6     4       39.8       10.6
  177   3   3   1 37.671  75.343   0.342    3.6     4        6.2        0.3
  178   6   0  -2 37.679  75.357   0.342    3.6     2        8.9        0.3
  179   6   0  -4 37.786  75.571   0.343    3.58    2       97.0       31.5
  180   5   2  -4 37.794  75.588   0.343    3.58    4      105.9       75.0
  181   3   0   4 37.801  75.602   0.343    3.58    2       60.1       12.1
  182   3   3  -4 37.805  75.61    0.343    3.58    4        1.9        0.0
  183   2   2   4 37.806  75.612   0.343    3.58    4       61.0       24.9
  184   0   3   4 37.81   75.621   0.343    3.58    4       23.3        3.6
  185   2   2  -6 37.984  75.968   0.344    3.55    4       69.0       31.5
  186   2   0   5 38.068  76.136   0.345    3.53    2        0.1        0.0
  187   3   0  -7 38.095  76.19    0.345    3.53    2        1.3        0.0
  188   3   2   3 38.108  76.216   0.345    3.53    4       30.7        6.2
  189   2   0  -7 38.281  76.563   0.346    3.5     2       26.4        2.3
  190   3   2  -6 38.348  76.696   0.347    3.49    4       87.7       50.2
  191   4   3  -2 38.429  76.857   0.347    3.48    4        6.7        0.3
  192   6   1  -3 38.641  77.282   0.349    3.44    4       20.5        2.7
  193   5   1   1 38.759  77.518   0.35     3.42    4       33.3        7.1
  194   4   3  -1 38.95   77.9     0.351    3.4     4        2.1        0.0
  195   1   2   5 38.986  77.972   0.352    3.39    4       16.2        1.7
  196   4   0   3 39.017  78.033   0.352    3.39    2       51.2        8.3
  197   4   3  -3 39.021  78.041   0.352    3.39    4        5.9        0.2
  198   5   1  -6 39.068  78.137   0.352    3.38    4        5.6        0.2
  199   1   2  -6 39.083  78.166   0.352    3.38    4       20.3        2.6
  200   0   4   0 39.136  78.271   0.353    3.37    2      230.6      167.6
  201   6   1  -2 39.144  78.288   0.353    3.37    4       23.6        3.5
  202   6   1  -4 39.25   78.499   0.354    3.35    4       31.4        6.2
  203   3   1   4 39.265  78.53    0.354    3.35    4        6.3        0.2
  204   6   0  -1 39.299  78.598   0.354    3.35    2        5.7        0.1
  205   4   0  -7 39.37   78.739   0.355    3.34    2       14.0        0.6
  206   6   0  -5 39.51   79.021   0.356    3.32    2       28.5        2.5
  207   2   1   5 39.529  79.057   0.356    3.32    4       76.6       36.4
  208   3   1  -7 39.556  79.111   0.356    3.31    4       33.7        7.0
  209   0   4   1 39.689  79.379   0.357    3.29    4        5.6        0.2
  210   2   1  -7 39.74   79.48    0.357    3.29    4       35.0        7.5
  211   1   0   6 39.808  79.616   0.358    3.28    2       11.5        0.4
  212   5   2   0 39.843  79.685   0.358    3.27    4       57.1       20.0
  213   1   4   0 39.861  79.723   0.358    3.27    4        7.4        0.3
  214   1   4  -1 39.87   79.74    0.358    3.27    4        8.0        0.4
  215   4   2   2 39.883  79.766   0.358    3.27    4      135.7      112.6
  216   1   0  -7 39.922  79.844   0.359    3.26    2       28.3        2.4
  217   5   2  -5 40.062  80.124   0.36     3.25    4       16.4        1.6
  218   2   3   3 40.117  80.233   0.36     3.24    4       33.3        6.7
  219   4   2  -6 40.163  80.327   0.361    3.23    4       34.0        7.0
  220   2   3  -5 40.257  80.514   0.361    3.22    4        5.7        0.2
  221   4   1   3 40.468  80.935   0.363    3.2     4        1.4        0.0
  222   4   3   0 40.573  81.146   0.364    3.19    4        3.6        0.1
  223   4   3  -4 40.713  81.426   0.365    3.17    4       13.1        1.0
  224   1   3   4 40.721  81.442   0.365    3.17    4       41.9       10.4
  225   6   1  -1 40.747  81.495   0.365    3.17    4       44.8       11.9
  226   1   3  -5 40.8    81.6     0.365    3.16    4       40.0        9.4
  227   4   1  -7 40.817  81.635   0.365    3.16    4       31.5        5.9
  228   1   4   1 40.954  81.907   0.366    3.14    4        2.1        0.0
  229   6   1  -5 40.957  81.914   0.366    3.14    4       15.9        1.5
  230   3   3   2 40.972  81.945   0.367    3.14    4       12.3        0.9
  231   1   4  -2 40.98   81.96    0.367    3.14    4       34.2        6.9
  232   3   3  -5 41.155  82.311   0.368    3.12    4       13.3        1.0
  233   1   1   6 41.252  82.505   0.369    3.11    4        5.3        0.2
  234   0   4   2 41.34   82.68    0.369    3.1     4        2.2        0.0
  235   1   1  -7 41.366  82.731   0.369    3.1     4        3.6        0.1
  236   2   4  -1 41.491  82.983   0.37     3.09    4        1.2        0.0
  237   0   2   6 41.613  83.227   0.371    3.07    4       67.4       26.1
  238   5   0   2 41.678  83.357   0.372    3.07    2       81.3       19.0
  239   6   0   0 41.996  83.992   0.374    3.04    2       29.6        2.5
  240   2   4   0 42.021  84.042   0.374    3.04    4       27.5        4.3
  241   2   4  -2 42.056  84.111   0.374    3.03    4       37.3        7.9
  242   5   0  -7 42.07   84.139   0.375    3.03    2       11.5        0.4
  243   6   0  -6 42.309  84.618   0.376    3.01    2       10.7        0.3
  244   0   3   5 42.774  85.548   0.38     2.97    4       36.3        7.3
  245   6   2  -3 42.971  85.942   0.381    2.96    4       43.5       10.4
  246   0   0   7 42.978  85.956   0.381    2.96    2       26.2        1.9
  247   5   2   1 43.086  86.173   0.382    2.95    4       20.3        2.3
  248   5   1   2 43.111  86.222   0.382    2.95    4       28.1        4.3
  249   1   4   2 43.131  86.262   0.382    2.94    4       36.0        7.1
  250   1   4  -3 43.174  86.348   0.382    2.94    4        6.1        0.2
  251   4   3   1 43.272  86.544   0.383    2.93    4       13.5        1.0
  252   5   2  -6 43.389  86.779   0.384    2.93    4       45.4       11.3
  253   6   1   0 43.427  86.855   0.384    2.92    4       22.5        2.8
  254   6   2  -2 43.463  86.927   0.385    2.92    4       80.0       34.9
  255   4   3  -5 43.48   86.96    0.385    2.92    4       58.4       18.6
  256   5   1  -7 43.5    87.001   0.385    2.92    4        3.0        0.1
  257   6   2  -4 43.567  87.134   0.385    2.91    4       72.2       28.4
  258   3   2   4 43.582  87.164   0.385    2.91    4        1.3        0.0
  259   2   4   1 43.639  87.278   0.386    2.91    4       34.2        6.4
  260   2   4  -3 43.708  87.416   0.386    2.9     4        1.1        0.0
  261   6   1  -6 43.739  87.478   0.386    2.9     4       16.1        1.4
  262   5   3  -2 43.829  87.657   0.387    2.9     4       38.0        7.8
  263   2   2   5 43.841  87.682   0.387    2.89    4       45.1       11.0
  264   3   2  -7 43.868  87.735   0.387    2.89    4       12.8        0.9
  265   5   3  -3 43.872  87.744   0.387    2.89    4       24.8        3.3
  266   2   2  -7 44.049  88.097   0.389    2.88    4       17.5        1.6
  267   0   4   3 44.067  88.134   0.389    2.88    4       19.9        2.1
  268   3   0   5 44.372  88.743   0.391    2.86    2       70.7       13.4
  269   0   1   7 44.406  88.812   0.391    2.86    4       57.7       17.8
  270   3   4  -1 44.528  89.056   0.392    2.85    4       16.7        1.5
  271   3   4  -2 44.554  89.108   0.392    2.85    4       53.4       15.2
  272   3   0  -8 44.709  89.417   0.393    2.84    2       88.4       20.8
  273   4   2   3 44.766  89.532   0.394    2.84    4       71.1       26.9
  274   5   3  -1 44.873  89.745   0.394    2.83    4       96.8       49.6
  275   7   0  -3 44.924  89.849   0.395    2.83    2       23.1        1.4
  276   7   0  -4 44.985  89.97    0.395    2.83    2       26.1        1.8


  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   5.589  11.178  9.18447       13.0      1.9      1.9     5.6
    2   1   0   0   6.403  12.805  8.02109       30.7      4.4      4.5     5.6
    3   1   0  -1   6.441  12.883  7.97289       25.5      3.7      3.7     5.6
    4   1   0  -2  10.257  20.514  5.02332      200.9     28.9     29.2     5.6
    5   1   1  -1  11.163  22.327  4.61999       35.4      5.1      5.1     5.6
    6   2   0   0  12.887  25.774  4.01054       88.8     12.8     12.9     5.6
    7   2   0  -2  12.966  25.932  3.98645      137.8     19.8     20.0     5.6
    8   1   1   1  13.707  27.415  3.7747        30.8      4.4      4.5     5.6
    9   1   1  -2  13.763  27.527  3.75959       19.0      2.7      2.7     5.6
   10   2   1  -1  14.824  29.647  3.49613      210.4     30.2     30.4     5.6
   11   1   0   2  15.234  30.467  3.40415       86.7     12.5     12.5     5.6
   12   2   0   1  16.206  32.412  3.20488       61.3      8.8      8.8     5.6
   13   0   0   3  16.988  33.975  3.06149       33.5      4.8      4.8     5.7
   14   3   0  -1  17.795  35.59   2.92675       10.6      1.5      1.5     5.7
   15   3   0  -2  17.84   35.679  2.91969      113.7     16.4     16.4     5.7
   16   1   1  -3  17.922  35.844  2.90673      695.6    100.0    100.0     5.7
   17   0   2   0  18.396  36.791  2.83435      254.0     36.5     36.5     5.7
   18   2   1   1  18.7    37.4    2.78987       60.2      8.7      8.6     5.7
   19   2   1  -3  18.813  37.627  2.77365       16.7      2.4      2.4     5.7
   20   0   1   3  19.393  38.787  2.69374      203.1     29.2     29.1     5.7
   21   1   2   0  19.554  39.109  2.67241      288.2     41.4     41.3     5.7
   22   3   1  -1  20.117  40.235  2.60059      270.4     38.9     38.7     5.7
   23   3   1  -2  20.158  40.315  2.59563       12.3      1.8      1.8     5.7
   24   2   0   2  20.706  41.412  2.52978      101.3     14.6     14.5     5.7
   25   1   0  -4  20.865  41.73   2.51138       21.8      3.1      3.1     5.7
   26   1   2  -2  21.244  42.489  2.46851       66.1      9.5      9.4     5.7
   27   0   2   2  21.768  43.536  2.41194      199.7     28.7     28.5     5.7
   28   3   1  -3  21.821  43.643  2.40631      206.1     29.6     29.4     5.7
   29   2   2  -1  21.985  43.97   2.38928       23.4      3.4      3.3     5.7
   30   2   2  -2  22.781  45.562  2.30999       91.3     13.1     13.0     5.7
   31   1   1   3  22.842  45.684  2.30416       32.3      4.6      4.6     5.7
   32   1   1  -4  22.927  45.853  2.29613       54.4      7.8      7.7     5.7
   33   1   2  -3  24.303  48.606  2.17332       45.0      6.5      6.4     5.7
   34   4   0  -1  24.435  48.87   2.16231      108.2     15.5     15.3     5.7
   35   4   0  -3  24.527  49.053  2.15473       16.9      2.4      2.4     5.7
   36   0   1   4  24.853  49.707  2.12816       15.7      2.3      2.2     5.7
   37   2   2   1  24.916  49.832  2.12316      131.0     18.8     18.6     5.7
   38   2   2  -3  25.006  50.012  2.11598      121.5     17.5     17.2     5.7
   39   0   2   3  25.471  50.943  2.07986       97.3     14.0     13.8     5.8
   40   2   0   3  25.922  51.845  2.0461        43.6      6.3      6.2     5.8
   41   3   2  -1  26.06   52.119  2.03607       14.3      2.1      2.0     5.8
   42   4   0   0  26.491  52.982  2.00527       38.9      5.6      5.5     5.8
   43   1   0  -5  26.771  53.541  1.98583       14.0      2.0      2.0     5.8
   44   3   0  -5  27.206  54.412  1.95642        8.2      1.2      1.2     5.8
   45   2   1   3  27.695  55.389  1.92457       25.6      3.7      3.6     5.8
   46   2   2   2  28.289  56.579  1.88735       67.1      9.7      9.4     5.8
   47   2   2  -4  28.413  56.827  1.87979      154.5     22.2     21.7     5.8
   48   1   1  -5  28.507  57.013  1.87416       28.2      4.0      4.0     5.8
   49   3   1   2  28.71   57.419  1.86202       15.1      2.2      2.1     5.8
   50   1   3   0  29.099  58.199  1.83922       14.3      2.1      2.0     5.8
   51   0   0   5  29.14   58.28   1.83689        7.9      1.1      1.1     5.8
   52   0   2   4  30.089  60.177  1.78414       17.7      2.5      2.5     5.8
   53   5   0  -2  30.361  60.723  1.76962       39.5      5.7      5.5     5.8
   54   5   0  -3  30.411  60.822  1.76701        7.5      1.1      1.0     5.8
   55   0   1   5  30.788  61.577  1.74744       30.0      4.3      4.2     5.8
   56   2   3  -1  30.959  61.918  1.73875       27.1      3.9      3.8     5.8
   57   4   1  -5  31.583  63.166  1.70784       43.4      6.2      6.0     5.9
   58   2   0   4  31.703  63.405  1.70207        7.1      1.0      1.0     5.9
   59   2   0  -6  31.896  63.791  1.69286       22.3      3.2      3.1     5.9
   60   5   1  -2  31.972  63.945  1.68922       12.4      1.8      1.7     5.9
   61   5   1  -3  32.02   64.041  1.68696       13.8      2.0      1.9     5.9
   62   3   0  -6  32.289  64.577  1.67444       21.9      3.1      3.0     5.9
   63   1   3  -3  32.827  65.653  1.64999       75.0     10.8     10.4     5.9
   64   1   0   5  32.974  65.948  1.64345        8.0      1.2      1.1     5.9
   65   1   0  -6  33.078  66.156  1.63887       81.1     11.7     11.2     5.9
   66   5   1  -1  33.123  66.246  1.63689      104.6     15.0     14.5     5.9
   67   1   2   4  33.28   66.561  1.63004      182.3     26.2     25.2     5.9
   68   2   3   1  33.334  66.668  1.62772       10.7      1.5      1.5     5.9
   69   2   1  -6  33.465  66.93   1.62207        7.2      1.0      1.0     5.9
   70   3   2   2  33.551  67.101  1.61843       39.8      5.7      5.5     5.9
   71   0   3   3  33.798  67.597  1.60796       31.6      4.5      4.4     5.9
   72   4   0  -6  34.228  68.457  1.59017       93.1     13.4     12.8     5.9
   73   3   3  -1  34.295  68.59   1.58747       73.8     10.6     10.2     5.9
   74   1   1   5  34.518  69.037  1.57845       39.7      5.7      5.5     5.9
   75   5   1   0  35.413  70.826  1.5436        22.4      3.2      3.1     5.9
   76   4   1   2  35.455  70.909  1.54201       46.5      6.7      6.4     5.9
   77   3   3  -3  35.508  71.016  1.54          32.2      4.6      4.4     5.9
   78   0   0   6  35.756  71.511  1.53074        7.0      1.0      1.0     5.9
   79   4   2  -5  36.211  72.421  1.51409       19.7      2.8      2.7     5.9
   80   6   0  -3  37.169  74.339  1.48047        8.2      1.2      1.1     6.0
   81   5   0  -6  37.602  75.204  1.46591        7.4      1.1      1.0     6.0
   82   5   2  -1  37.66   75.32   1.46399       11.2      1.6      1.5     6.0
   83   5   2  -4  37.794  75.588  1.45958      147.1     21.1     20.0     6.0
   84   2   2  -6  37.984  75.968  1.45336       31.5      4.5      4.3     6.0
   85   3   2  -6  38.348  76.696  1.44166       50.2      7.2      6.8     6.0
   86   5   1   1  38.759  77.518  1.42875        7.1      1.0      1.0     6.0
   87   4   0   3  39.017  78.033  1.4208         8.5      1.2      1.2     6.0
   88   0   4   0  39.136  78.271  1.41718      171.1     24.6     23.1     6.0
   89   2   1   5  39.529  79.057  1.40536       46.0      6.6      6.2     6.0
   90   2   1  -7  39.74   79.48   1.39912        7.5      1.1      1.0     6.0
   91   5   2   0  39.843  79.685  1.39611       20.7      3.0      2.8     6.0
   92   4   2   2  39.883  79.766  1.39494      112.6     16.2     15.2     6.0
   93   4   2  -6  40.163  80.327  1.38682        7.0      1.0      0.9     6.0
   94   6   1  -1  40.747  81.495  1.37035       23.3      3.4      3.1     6.1
   95   1   3  -5  40.8    81.6    1.36889       15.3      2.2      2.1     6.1
   96   1   4  -2  40.98   81.96   1.36394        9.2      1.3      1.2     6.1
   97   0   2   6  41.613  83.227  1.34687       26.1      3.8      3.5     6.1
   98   5   0   2  41.678  83.357  1.34516       19.0      2.7      2.5     6.1
   99   2   4  -2  42.056  84.111  1.33531        8.3      1.2      1.1     6.1
  100   0   3   5  42.774  85.548  1.31711        7.3      1.1      1.0     6.1
  101   6   2  -3  42.971  85.942  1.31225       12.3      1.8      1.6     6.1
  102   1   4   2  43.131  86.262  1.30833       13.7      2.0      1.8     6.1
  103   5   2  -6  43.389  86.779  1.30207       11.3      1.6      1.5     6.1
  104   6   2  -2  43.463  86.927  1.30029       53.6      7.7      7.1     6.1
  105   6   2  -4  43.567  87.134  1.29782       28.4      4.1      3.8     6.2
  106   2   2   5  43.841  87.682  1.29134       22.2      3.2      2.9     6.2
  107   3   0   5  44.372  88.743  1.27906       13.4      1.9      1.8     6.2
  108   0   1   7  44.406  88.812  1.27827       17.8      2.6      2.3     6.2
  109   3   4  -2  44.554  89.108  1.27493       16.7      2.4      2.2     6.2
  110   3   0  -8  44.709  89.417  1.27144       20.8      3.0      2.7     6.2
  111   4   2   3  44.766  89.532  1.27015       26.9      3.9      3.5     6.2
  112   5   3  -1  44.873  89.745  1.26778       49.6      7.1      6.5     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)