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

                            ***

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

2, at 800'C, f-epidote, s-epidote

[Ca(1.8)Sr(0.2)][Al(1.91)Fe(0.33)Mn(0.82)][SiO(4)](3)(OH)


Monoclinic  P 2(1)/m  Z = 2

R =0.056          NR =2826

6 .9 .1989

Ref.Str.:

         M. Catti, G. Ferraris, G. Ivaldi (1988)

         * Amer. Mineral., 73, 1370-1376

                   Initial data from BDM-file 

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

             a =   8.934    alpha =   90.0 
             b =   5.727    beta  =  115.28
             c =  10.3      gamma =   90.0 

    Unit cell volume (cub. angs.) =   476.53

    Molar volume ( cub.cm/mol.) =   143.52

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

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

   1 0.7605  0.75    0.155    2.45   Ca    = 1.00
   2 0.5959  0.75    0.4208   2.61   Ca    = 0.8 , Sr    = 0.2 
   3 0.0     0.0     0.0      1.19   Al    = 0.81, Mn    = 0.1 , Fe    = 0.09
   4 0.0     0.0     0.5      1.26   Al    = 1.00
   5 0.2945  0.25    0.2218   1.4    Al    = 0.06, Mn    = 0.67, Fe    = 0.27
   6 0.339   0.75    0.0126   1.21   Si    = 1.00
   7 0.6851  0.25    0.2757   1.2    Si    = 1.00
   8 0.1841  0.75    0.3182   1.16   Si    = 1.00
   9 0.2337  0.9882  0.0358   2.2    O     = 1.00
  10 0.3035  0.978   0.355    2.0    O     = 1.00
  11 0.7949  0.0183  0.3411   1.7    O     = 1.00
  12 0.0598  0.25    0.1295   1.5    O     = 1.00
  13 0.0433  0.75    0.1471   1.6    O     = 1.00
  14 0.0656  0.75    0.405    1.8    O     = 1.00
  15 0.5117  0.75    0.1739   2.1    O     = 1.00
  16 0.525   0.25    0.309    2.7    O     = 1.00
  17 0.6301  0.25    0.1031   3.6    O     = 1.00
  18 0.0837  0.25    0.4308   0.67   O     = 1.00
  19 0.055   0.25    0.35     1.2    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7605     0.75       0.155 
     2       2     0.5959     0.75       0.4208
     3       3     0.0        0.0        0.0   
     4       4     0.0        0.0        0.5   
     5       5     0.2945     0.25       0.2218
     6       6     0.339      0.75       0.0126
     7       7     0.6851     0.25       0.2757
     8       8     0.1841     0.75       0.3182
     9       9     0.2337     0.9882     0.0358
    10      10     0.3035     0.978      0.355 
    11      11     0.7949     0.0183     0.3411
    12      12     0.0598     0.25       0.1295
    13      13     0.0433     0.75       0.1471
    14      14     0.0656     0.75       0.405 
    15      15     0.5117     0.75       0.1739
    16      16     0.525      0.25       0.309 
    17      17     0.6301     0.25       0.1031
    18      18     0.0837     0.25       0.4308
    19      19     0.055      0.25       0.35  
    20       1     0.2395     0.25       0.845 
    21       2     0.4041     0.25       0.5792
    22       3     0.0        0.5        0.0   
    23       4     0.0        0.5        0.5   
    24       5     0.7055     0.75       0.7782
    25       6     0.661      0.25       0.9874
    26       7     0.3149     0.75       0.7243
    27       8     0.8159     0.25       0.6818
    28       9     0.7663     0.4882     0.9642
    29      10     0.6965     0.478      0.645 
    30      11     0.2051     0.5183     0.6589
    31      12     0.9402     0.75       0.8705
    32      13     0.9567     0.25       0.8529
    33      14     0.9344     0.25       0.595 
    34      15     0.4883     0.25       0.8261
    35      16     0.475      0.75       0.691 
    36      17     0.3699     0.75       0.8969
    37      18     0.9163     0.75       0.5692
    38      19     0.945      0.75       0.65  
    39       9     0.2337     0.5118     0.0358
    40      10     0.3035     0.522      0.355 
    41      11     0.7949     0.4817     0.3411
    42       9     0.7663     0.0118     0.9642
    43      10     0.6965     0.022      0.645 
    44      11     0.2051     0.9817     0.6589


X-ray density (g/cm cub.)   =      3.45

MU (1/cm) =     259.646    Mass attenuation coefficient (cm**2/g) =     75.158

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

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

    1    Ca                  2.88         7
                                                 2.372       11
                                                 2.5623      13
                                                 2.84        14
                                                 2.3126      15
                                                 2.4899       9
                                                 2.372       11
                                                 2.4899       9
    2   Ca   ,Sr             3.072       10
                                                 2.7343      10
                                                 2.728       11
                                                 2.3236      15
                                                 3.0502      16
                                                 3.0502      16
                                                 2.6066      10
                                                 2.6064      18
                                                 2.7343      10
                                                 2.728       11
                                                 2.6066      10
    3   Al   ,Mn   ,Fe       2.724        6
                                                 1.9602       9
                                                 1.8724      12
                                                 1.9986      13
                                                 1.8724      12
                                                 1.9986      13
                                                 1.9602       9
    4    Al                  2.316        6
                                                 1.867       11
                                                 1.9598      14
                                                 1.8901      18
                                                 1.9598      14
                                                 1.8901      18
                                                 1.867       11
    5   Al   ,Mn   ,Fe       2.724        6
                                                 2.3079       9
                                                 2.0541      10
                                                 1.8966      12
                                                 1.8624      16
                                                 2.3079       9
                                                 2.0541      10
    6    Si                  2.1          4
                                                 1.7306       9
                                                 1.718       15
                                                 1.3332      17
                                                 1.7306       9
    7    Si                  2.1          4
                                                 1.6163      11
                                                 1.607       16
                                                 1.6297      17
                                                 1.6163      11
    8    Si                  2.1          4
                                                 1.6252      10
                                                 1.6718      13
                                                 1.6518      14
                                                 1.6252      10
    9    O                   3.264        9
                                                 3.0742      10
                                                 2.6218      12
                                                 2.781       13
                                                 2.6524      15
                                                 2.7968      12
                                                 2.8177      13
                                                 2.6221      17
                                                 2.9987       9
                                                 2.7283       9
   10    O                   3.264        8
                                                 3.0742       9
                                                 2.871       12
                                                 2.7282      13
                                                 2.7244      14
                                                 2.7144      16
                                                 2.8639      18
                                                 3.1155      10
                                                 2.6115      10
   11    O                   3.264        9
                                                 2.6988      14
                                                 2.8296      15
                                                 2.6464      16
                                                 2.6183      17
                                                 2.6899      18
                                                 2.7147      14
                                                 2.6231      18
                                                 2.6539      11
                                                 3.0731      11
   12    O                   3.264       10
                                                 2.6218       9
                                                 2.871       10
                                                 2.877       13
                                                 2.877       13
                                                 3.0184      18
                                                 2.7968       9
                                                 2.593       13
                                                 2.6218       9
                                                 2.871       10
                                                 2.7968       9
   13    O                   3.264       10
                                                 2.781        9
                                                 2.7282      10
                                                 2.877       12
                                                 2.877       12
                                                 2.5776      14
                                                 2.8177       9
                                                 2.593       12
                                                 2.781        9
                                                 2.7282      10
                                                 2.8177       9
   14    O                   3.264       10
                                                 2.7244      10
                                                 2.6988      11
                                                 2.5776      13
                                                 2.874       18
                                                 2.874       18
                                                 2.7147      11
                                                 2.5625      18
                                                 2.7244      10
                                                 2.6988      11
                                                 2.7147      11
   15    O                   3.264        9
                                                 2.6524       9
                                                 2.8296      11
                                                 3.1637      16
                                                 3.1637      16
                                                 3.2418      17
                                                 3.2418      17
                                                 2.5803      17
                                                 2.6524       9
                                                 2.8296      11
   16    O                   3.264        7
                                                 2.7144      10
                                                 2.6464      11
                                                 3.1637      15
                                                 3.1637      15
                                                 2.6608      17
                                                 2.7144      10
                                                 2.6464      11
   17    O                   3.264        8
                                                 2.6183      11
                                                 3.2418      15
                                                 3.2418      15
                                                 2.6608      16
                                                 2.6221       9
                                                 2.5803      15
                                                 2.6183      11
                                                 2.6221       9
   18    O                   3.264       10
                                                 2.8639      10
                                                 2.6899      11
                                                 3.0184      12
                                                 2.874       14
                                                 2.874       14
                                                 2.6231      11
                                                 2.5625      14
                                                 2.8639      10
                                                 2.6899      11
                                                 2.6231      11
   19    H                   1.632        1
                                                 0.759       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  5.511  11.022   0.054  213.87    2        6.2        7.3
    2   1   0   0  6.357  12.714   0.062  160.17    2       11.6       18.9
    3   1   0  -1  6.394  12.787   0.062  158.31    2       19.0       50.2
    4   1   0   1 10.069  20.137   0.098   62.52    2        4.1        0.9
    5   1   0  -2 10.139  20.278   0.098   61.63    2       52.5      149.4
    6   0   1   1 10.565  21.13    0.102   56.59    4        2.4        0.6
    7   1   1   0 11.037  22.075   0.107   51.67    4       17.7       28.5
    8   1   1  -1 11.059  22.118   0.107   51.46    4       14.1       18.1
    9   0   0   2 11.074  22.148   0.107   51.31    2        3.6        0.6
   10   2   0  -1 11.551  23.102   0.112   46.99    2        1.8        0.1
   11   2   0   0 12.794  25.588   0.124   37.92    2       54.1       97.7
   12   2   0  -2 12.869  25.737   0.124   37.46    2       68.0      152.5
   13   1   1   1 13.558  27.116   0.131   33.55    4       26.4       41.0
   14   1   1  -2 13.611  27.223   0.132   33.27    4       10.8        6.9
   15   0   1   2 14.333  28.666   0.138   29.81    4       16.5       14.3
   16   2   1  -1 14.711  29.423   0.142   28.19    4       76.1      287.4
   17   1   0   2 15.038  30.075   0.145   26.9     2       54.1       69.3
   18   1   0  -3 15.118  30.237   0.146   26.59    2       24.7       14.3
   19   2   1   0 15.723  31.445   0.151   24.44    4       12.9        7.2
   20   2   1  -2 15.785  31.569   0.152   24.24    4       15.7       10.5
   21   2   0   1 16.048  32.097   0.155   23.39    2       61.4       77.6
   22   2   0  -3 16.17   32.34    0.156   23.01    2        5.6        0.6
   23   0   0   3 16.745  33.49    0.161   21.33    2       41.4       32.1
   24   1   1   2 17.628  35.256   0.169   19.07    4       29.7       29.7
   25   3   0  -1 17.688  35.376   0.17    18.93    2       21.0        7.4
   26   1   1  -3 17.698  35.396   0.17    18.91    4      146.5      715.2
   27   3   0  -2 17.73   35.459   0.17    18.83    2       75.5       94.6
   28   0   2   0 18.202  36.404   0.175   17.78    2      131.4      270.5
   29   2   1   1 18.513  37.026   0.177   17.13    4       34.4       35.7
   30   2   1  -3 18.62   37.241   0.178   16.91    4       14.1        5.9
   31   0   2   1 19.074  38.149   0.183   16.03    4        4.2        0.5
   32   0   1   3 19.131  38.261   0.183   15.93    4       78.1      171.2
   33   1   2   0 19.354  38.709   0.185   15.53    4       72.8      145.0
   34   1   2  -1 19.367  38.735   0.185   15.5     4        3.5        0.3
   35   3   0   0 19.4    38.801   0.186   15.44    2       88.0      105.3
   36   3   0  -3 19.516  39.033   0.187   15.24    2        7.1        0.7
   37   3   1  -1 19.976  39.951   0.191   14.47    4      112.3      321.5
   38   3   1  -2 20.014  40.027   0.191   14.41    4       17.4        7.6
   39   2   0   2 20.466  40.932   0.195   13.71    2       99.4      119.3
   40   1   0   3 20.489  40.977   0.196   13.68    2        5.6        0.4
   41   1   0  -4 20.575  41.15    0.196   13.55    2       27.5        9.0
   42   2   0  -4 20.614  41.228   0.197   13.49    2       15.5        2.9
   43   1   2   1 20.975  41.95    0.2     12.98    4       11.3        2.9
   44   1   2  -2 21.011  42.023   0.2     12.93    4       54.4       67.4
   45   0   2   2 21.512  43.024   0.205   12.27    4       83.2      149.6
   46   3   1   0 21.534  43.068   0.205   12.24    4        8.2        1.4
   47   3   1  -3 21.641  43.281   0.206   12.1     4       83.4      148.4
   48   2   2  -1 21.78   43.559   0.207   11.93    4       29.2       17.9
   49   2   2   0 22.513  45.027   0.214   11.07    4       15.7        4.8
   50   2   1   2 22.517  45.033   0.214   11.07    4       21.9        9.3
   51   3   0   1 22.529  45.058   0.214   11.05    2       25.2        6.2
   52   1   1   3 22.537  45.075   0.214   11.05    4       44.5       38.6
   53   2   2  -2 22.559  45.118   0.214   11.02    4       53.2       54.9
   54   0   0   4 22.591  45.182   0.215   10.99    2        5.0        0.2
   55   1   1  -4 22.617  45.235   0.215   10.96    4       26.2       13.3
   56   2   1  -4 22.654  45.307   0.215   10.92    4       25.1       12.1
   57   3   0  -4 22.7    45.4     0.216   10.87    2       52.8       26.6
   58   4   0  -2 23.609  47.217   0.224    9.94    2       30.3        8.0
   59   1   2   2 23.958  47.916   0.227    9.62    4       17.0        4.9
   60   1   2  -3 24.012  48.025   0.227    9.57    4       61.6       63.9
   61   4   0  -1 24.277  48.555   0.23     9.33    2      108.8       97.3
   62   4   0  -3 24.364  48.727   0.231    9.26    2       31.9        8.3
   63   3   1   1 24.441  48.883   0.231    9.19    4        2.9        0.1
   64   0   1   4 24.5    48.999   0.232    9.14    4       31.1       15.6
   65   3   1  -4 24.602  49.204   0.233    9.05    4        3.6        0.2
   66   2   2   1 24.654  49.307   0.233    9.01    4       87.2      120.8
   67   2   2  -3 24.739  49.478   0.234    8.94    4       89.9      127.2
   68   0   2   3 25.148  50.295   0.238    8.61    4       70.4       75.2
   69   4   1  -2 25.459  50.918   0.24     8.38    4       10.9        1.7
   70   2   0   3 25.588  51.177   0.241    8.28    2       83.3       50.6
   71   2   0  -5 25.754  51.509   0.243    8.16    2       17.5        2.2
   72   3   2  -1 25.834  51.667   0.244    8.1     4       25.8        9.5
   73   3   2  -2 25.864  51.729   0.244    8.08    4       15.6        3.5
   74   4   1  -1 26.092  52.184   0.246    7.92    4        2.1        0.1
   75   4   1  -3 26.174  52.348   0.247    7.86    4        1.1        0.0
   76   4   0   0 26.288  52.577   0.248    7.79    2       70.8       34.3
   77   1   0   4 26.289  52.578   0.248    7.79    2        8.1        0.4
   78   1   0  -5 26.381  52.762   0.248    7.72    2       17.0        2.0
   79   4   0  -4 26.451  52.902   0.249    7.68    2       32.6        7.2
   80   3   0   2 26.688  53.376   0.251    7.52    2       13.4        1.2
   81   3   0  -5 26.899  53.799   0.253    7.39    2       19.4        2.4
   82   3   2   0 27.127  54.255   0.255    7.25    4       13.7        2.4
   83   3   2  -3 27.217  54.434   0.256    7.19    4       19.1        4.6
   84   2   1   3 27.34   54.681   0.257    7.12    4       38.1       18.3
   85   2   1  -5 27.499  54.998   0.258    7.03    4       13.6        2.3
   86   2   2   2 27.96   55.921   0.262    6.77    4       69.4       57.4
   87   1   2   3 27.978  55.956   0.262    6.76    4       25.0        7.4
   88   4   1   0 28.01   56.019   0.263    6.74    4        5.8        0.4
   89   1   1   4 28.01   56.021   0.263    6.74    4       51.5       31.5
   90   1   2  -4 28.047  56.093   0.263    6.72    4       64.5       49.3
   91   2   2  -4 28.078  56.155   0.263    6.7     4       80.6       76.6
   92   1   1  -5 28.098  56.196   0.263    6.69    4       39.0       18.0
   93   4   1  -4 28.166  56.331   0.264    6.66    4        3.2        0.1
   94   3   1   2 28.393  56.786   0.266    6.54    4       52.0       31.1
   95   0   3   1 28.574  57.148   0.267    6.44    4        4.5        0.2
   96   3   1  -5 28.596  57.191   0.268    6.43    4        9.5        1.0
   97   0   0   5 28.698  57.396   0.268    6.38    2       42.8       10.3
   98   1   3   0 28.78   57.561   0.269    6.34    4       32.7       12.0
   99   1   3  -1 28.79   57.58    0.269    6.33    4        9.2        0.9
  100   4   0   1 29.448  58.896   0.275    6.02    2       22.3        2.6
  101   3   2   1 29.627  59.253   0.276    5.94    4       26.6        7.4
  102   4   0  -5 29.674  59.349   0.277    5.92    2       17.6        1.6
  103   0   2   4 29.678  59.356   0.277    5.91    4       26.6        7.4
  104   3   2  -4 29.768  59.535   0.278    5.87    4       12.9        1.7
  105   1   3   1 30.007  60.014   0.28     5.77    4       24.6        6.1
  106   1   3  -2 30.035  60.07    0.28     5.76    4       12.8        1.7
  107   5   0  -2 30.169  60.338   0.281    5.7     2       83.5       35.0
  108   5   0  -3 30.216  60.431   0.281    5.68    2       33.4        5.6
  109   0   1   5 30.328  60.656   0.282    5.63    4       44.7       19.8
  110   0   3   2 30.424  60.847   0.283    5.6     4       12.5        1.5
  111   4   2  -2 30.524  61.048   0.284    5.55    4       45.1       19.9
  112   2   3  -1 30.633  61.267   0.285    5.51    4       54.8       29.2
  113   4   1   1 31.054  62.108   0.288    5.35    4        4.0        0.1
  114   4   2  -1 31.088  62.176   0.289    5.33    4       24.4        5.6
  115   4   2  -3 31.161  62.322   0.289    5.31    4       28.0        7.3
  116   2   3   0 31.214  62.429   0.29     5.29    4       11.0        1.1
  117   2   3  -2 31.251  62.502   0.29     5.27    4       12.9        1.6
  118   2   0   4 31.259  62.518   0.29     5.27    2       15.4        1.1
  119   4   1  -5 31.273  62.547   0.29     5.26    4       60.5       34.0
  120   5   0  -1 31.326  62.652   0.291    5.24    2       10.1        0.5
  121   2   0  -6 31.441  62.883   0.292    5.2     2       61.0       17.0
  122   5   0  -4 31.462  62.925   0.292    5.2     2       10.9        0.5
  123   3   0   3 31.633  63.267   0.293    5.13    2        9.8        0.4
  124   5   1  -2 31.753  63.507   0.294    5.09    4       28.7        7.4
  125   5   1  -3 31.799  63.597   0.295    5.08    4       22.1        4.4
  126   3   0  -6 31.878  63.756   0.295    5.05    2       51.7       11.9
  127   2   2   3 32.21   64.42    0.298    4.94    4       14.4        1.8
  128   2   2  -5 32.353  64.707   0.299    4.89    4       19.7        3.3
  129   1   3   2 32.384  64.768   0.299    4.88    4       17.4        2.6
  130   1   3  -3 32.429  64.857   0.3      4.86    4       87.6       65.8
  131   1   0   5 32.472  64.945   0.3      4.85    2       44.2        8.3
  132   1   0  -6 32.571  65.141   0.301    4.82    2      104.6       46.5
  133   2   1   4 32.813  65.627   0.303    4.74    4       44.5       16.5
  134   4   2   0 32.817  65.635   0.303    4.74    4       44.7       16.7
  135   1   2   4 32.818  65.636   0.303    4.74    4       58.8       28.8
  136   5   1  -1 32.878  65.757   0.303    4.72    4       89.4       66.5
  137   1   2  -5 32.898  65.796   0.304    4.72    4       15.8        2.1
  138   2   3   1 32.958  65.916   0.304    4.7     4       22.6        4.2
  139   4   2  -4 32.959  65.919   0.304    4.7     4      114.4      108.2
  140   2   1  -6 32.991  65.982   0.304    4.69    4       50.1       20.7
  141   5   1  -4 33.011  66.023   0.305    4.68    4       17.7        2.6
  142   2   3  -3 33.029  66.058   0.305    4.68    4        7.2        0.4
  143   3   2   2 33.167  66.333   0.306    4.63    4       58.7       28.1
  144   3   1   3 33.178  66.356   0.306    4.63    4       10.7        0.9
  145   3   2  -5 33.352  66.704   0.307    4.58    4        0.9        0.0
  146   0   3   3 33.37   66.74    0.307    4.57    4       52.3       22.0
  147   3   1  -6 33.416  66.833   0.308    4.56    4       20.8        3.5
  148   4   0   2 33.566  67.133   0.309    4.52    2        0.6        0.0
  149   5   0   0 33.615  67.23    0.309    4.5     2       16.0        1.0
  150   5   0  -5 33.834  67.669   0.311    4.44    2       11.8        0.5
  151   4   0  -6 33.847  67.694   0.311    4.44    2      113.9       50.7
  152   3   3  -1 33.948  67.895   0.312    4.41    4       88.4       60.8
  153   3   3  -2 33.974  67.948   0.312    4.41    4       25.7        5.1
  154   1   1   5 33.997  67.994   0.313    4.4     4       56.2       24.5
  155   1   1  -6 34.093  68.186   0.313    4.37    4       29.2        6.6
  156   0   2   5 34.949  69.898   0.32     4.16    4       23.5        4.0
  157   3   3   0 35.054  70.108   0.321    4.13    4       15.7        1.8
  158   4   1   2 35.067  70.134   0.321    4.13    4       71.7       37.4
  159   5   1   0 35.115  70.23    0.322    4.12    4       50.0       18.1
  160   3   3  -3 35.131  70.263   0.322    4.11    4       50.9       18.8
  161   0   0   6 35.186  70.372   0.322    4.1     2       51.4        9.5
  162   5   1  -5 35.33   70.66    0.323    4.07    4       36.3        9.4
  163   4   1  -6 35.342  70.685   0.323    4.06    4       12.2        1.1
  164   4   2   1 35.625  71.249   0.326    4.0     4        0.8        0.0
  165   2   3   2 35.777  71.554   0.327    3.97    4       16.7        1.9
  166   1   3   3 35.793  71.585   0.327    3.96    4       19.7        2.7
  167   4   2  -5 35.83   71.659   0.327    3.96    4       27.1        5.1
  168   1   3  -4 35.852  71.705   0.327    3.95    4       10.5        0.8
  169   2   3  -4 35.88   71.759   0.328    3.95    4       10.7        0.8
  170   5   2  -2 36.279  72.558   0.331    3.86    4        7.5        0.4
  171   5   2  -3 36.322  72.643   0.331    3.85    4        0.9        0.0
  172   0   1   6 36.657  73.314   0.334    3.79    4        3.4        0.1
  173   6   0  -3 36.922  73.844   0.336    3.73    2       47.6        7.5
  174   5   0   1 36.937  73.873   0.336    3.73    2        9.0        0.3
  175   5   0  -6 37.231  74.463   0.338    3.68    2       43.9        6.2
  176   3   3   1 37.248  74.495   0.338    3.67    4       13.7        1.2
  177   2   2   4 37.277  74.555   0.339    3.67    4       72.1       33.6
  178   3   0   4 37.28   74.561   0.339    3.67    2       58.4       11.0
  179   0   3   4 37.293  74.587   0.339    3.67    4       18.4        2.2
  180   5   2  -1 37.339  74.677   0.339    3.66    4       26.4        4.5
  181   3   3  -4 37.374  74.747   0.339    3.65    4        7.3        0.3
  182   6   0  -2 37.42   74.841   0.34     3.64    2        6.8        0.1
  183   2   2  -6 37.445  74.89    0.34     3.64    4       62.3       24.9
  184   5   2  -4 37.465  74.929   0.34     3.64    4       89.1       50.9
  185   2   0   5 37.491  74.982   0.34     3.63    2       17.0        0.9
  186   6   0  -4 37.521  75.042   0.34     3.63    2       91.2       26.5
  187   3   0  -7 37.557  75.115   0.341    3.62    2        9.9        0.3
  188   3   2   3 37.622  75.245   0.341    3.61    4       23.9        3.6
  189   2   0  -7 37.692  75.384   0.342    3.6     2       20.8        1.4
  190   3   2  -6 37.848  75.697   0.343    3.57    4       68.6       29.6
  191   4   3  -2 38.052  76.105   0.345    3.54    4        0.4        0.0
  192   6   1  -3 38.367  76.734   0.347    3.48    4        2.4        0.0
  193   5   1   1 38.382  76.763   0.347    3.48    4       35.4        7.7
  194   1   2   5 38.4    76.8     0.347    3.48    4       21.2        2.7
  195   1   2  -6 38.492  76.983   0.348    3.47    4        4.3        0.1
  196   4   0   3 38.536  77.073   0.348    3.46    2       43.8        5.9
  197   4   3  -1 38.562  77.125   0.348    3.45    4        3.6        0.1
  198   4   3  -3 38.629  77.258   0.349    3.44    4        4.4        0.1
  199   0   4   0 38.663  77.325   0.349    3.44    2      195.5      115.7
  200   5   1  -6 38.672  77.345   0.349    3.44    4        5.0        0.2
  201   3   1   4 38.721  77.442   0.35     3.43    4        4.2        0.1
  202   6   1  -2 38.859  77.719   0.351    3.41    4       20.1        2.4
  203   4   0  -7 38.868  77.737   0.351    3.41    2       28.1        2.4
  204   2   1   5 38.929  77.858   0.351    3.4     4       55.4       18.4
  205   6   1  -4 38.959  77.917   0.351    3.4     4       10.0        0.6
  206   3   1  -7 38.994  77.989   0.352    3.39    4       30.1        5.4
  207   6   0  -1 39.002  78.003   0.352    3.39    2        5.6        0.1
  208   2   1  -7 39.128  78.256   0.353    3.37    4       15.0        1.3
  209   1   0   6 39.161  78.322   0.353    3.37    2       11.0        0.4
  210   6   0  -5 39.2    78.4     0.353    3.36    2       22.4        1.5
  211   0   4   1 39.203  78.406   0.353    3.36    4        3.8        0.1
  212   1   0  -7 39.268  78.537   0.354    3.35    2       15.9        0.7
  213   1   4   0 39.381  78.761   0.355    3.34    4        8.6        0.4
  214   1   4  -1 39.389  78.778   0.355    3.33    4       11.0        0.7
  215   4   2   2 39.423  78.846   0.355    3.33    4      108.8       69.4
  216   5   2   0 39.469  78.937   0.355    3.32    4       51.2       15.3
  217   2   3   3 39.586  79.173   0.356    3.31    4       27.5        4.4
  218   5   2  -5 39.675  79.35    0.357    3.3     4       12.5        0.9
  219   4   2  -6 39.687  79.373   0.357    3.29    4       15.5        1.4
  220   2   3  -5 39.718  79.437   0.357    3.29    4       15.5        1.4
  221   4   1   3 39.963  79.926   0.359    3.26    4       11.5        0.8
  222   4   3   0 40.146  80.292   0.36     3.24    4        4.0        0.1
  223   1   3   4 40.147  80.293   0.36     3.24    4       45.6       11.8
  224   1   3  -5 40.221  80.441   0.361    3.23    4       26.7        4.0
  225   4   3  -4 40.278  80.555   0.361    3.22    4        2.8        0.0
  226   4   1  -7 40.292  80.583   0.361    3.22    4       40.6        9.3
  227   6   1  -1 40.424  80.847   0.362    3.2     4       30.1        5.1
  228   1   4   1 40.446  80.892   0.363    3.2     4        4.6        0.1
  229   3   3   2 40.47   80.939   0.363    3.2     4       25.2        3.6
  230   1   4  -2 40.471  80.942   0.363    3.2     4       28.0        4.4
  231   1   1   6 40.581  81.163   0.364    3.18    4       18.0        1.8
  232   6   1  -5 40.62   81.241   0.364    3.18    4       25.1        3.5
  233   3   3  -5 40.642  81.283   0.364    3.18    4        1.1        0.0
  234   1   1  -7 40.688  81.376   0.364    3.17    4       17.4        1.7
  235   0   4   2 40.813  81.626   0.365    3.16    4        2.9        0.0
  236   0   2   6 40.954  81.907   0.366    3.14    4       46.1       11.8
  237   2   4  -1 40.998  81.997   0.367    3.14    4        1.6        0.0
  238   5   0   2 41.219  82.438   0.368    3.11    2       53.4        7.8
  239   2   4   0 41.515  83.03    0.371    3.08    4       23.3        2.9
  240   2   4  -2 41.548  83.096   0.371    3.08    4       34.4        6.4
  241   5   0  -7 41.586  83.173   0.371    3.08    2        3.8        0.0
  242   6   0   0 41.631  83.263   0.371    3.07    2       23.1        1.4
  243   6   0  -6 41.925  83.849   0.373    3.05    2       22.8        1.4
  244   0   3   5 42.137  84.275   0.375    3.03    4       36.0        6.9
  245   0   0   7 42.242  84.485   0.376    3.02    2       36.7        3.6
  246   1   4   2 42.568  85.136   0.378    2.99    4       27.1        3.9
  247   1   4  -3 42.609  85.218   0.378    2.99    4       14.2        1.1
  248   6   2  -3 42.616  85.233   0.378    2.98    4       43.0        9.7
  249   5   1   2 42.625  85.25    0.379    2.98    4       17.7        1.7
  250   5   2   1 42.631  85.261   0.379    2.98    4       23.7        2.9
  251   4   3   1 42.777  85.554   0.38     2.97    4        5.1        0.1
  252   5   2  -6 42.915  85.83    0.381    2.96    4       32.5        5.5
  253   3   2   4 42.962  85.924   0.381    2.96    4        0.5        0.0
  254   4   3  -5 42.972  85.944   0.381    2.96    4       45.1       10.6
  255   5   1  -7 42.99   85.981   0.381    2.95    4       18.7        1.8
  256   6   1   0 43.035  86.07    0.381    2.95    4       17.1        1.5
  257   2   4   1 43.092  86.183   0.382    2.95    4       31.6        5.2
  258   6   2  -2 43.098  86.195   0.382    2.95    4       66.7       23.1
  259   2   4  -3 43.156  86.313   0.382    2.94    4        5.2        0.1
  260   2   2   5 43.166  86.332   0.382    2.94    4       11.9        0.7
  261   6   2  -4 43.195  86.39    0.383    2.94    4       63.6       20.9
  262   3   2  -7 43.23   86.46    0.383    2.94    4       19.4        1.9
  263   6   1  -6 43.327  86.655   0.384    2.93    4        6.8        0.2
  264   2   2  -7 43.361  86.722   0.384    2.93    4       10.0        0.5
  265   5   3  -2 43.4    86.801   0.384    2.92    4       29.1        4.4
  266   5   3  -3 43.441  86.882   0.384    2.92    4       11.4        0.7
  267   0   4   3 43.469  86.939   0.385    2.92    4       18.2        1.7
  268   0   1   7 43.644  87.287   0.386    2.91    4       35.7        6.5
  269   3   0   5 43.69   87.38    0.386    2.9     2       66.4       11.3
  270   3   4  -1 44.003  88.006   0.388    2.88    4       12.4        0.8
  271   3   0  -8 44.006  88.013   0.388    2.88    2       88.6       19.9
  272   3   4  -2 44.027  88.055   0.389    2.88    4       42.0        8.9
  273   4   2   3 44.182  88.363   0.39     2.87    4       62.9       20.0
  274   2   3   4 44.359  88.717   0.391    2.86    4       35.2        6.3
  275   4   0   4 44.372  88.743   0.391    2.86    2       63.8       10.2
  276   5   3  -1 44.418  88.835   0.391    2.86    4       78.7       31.2
  277   2   0   6 44.431  88.861   0.391    2.86    2       41.1        4.3
  278   4   2  -7 44.506  89.011   0.392    2.85    4       25.4        3.2
  279   2   3  -6 44.521  89.041   0.392    2.85    4       41.2        8.5
  280   5   3  -4 44.539  89.078   0.392    2.85    4        4.1        0.1
  281   7   0  -3 44.599  89.198   0.392    2.85    2       11.5        0.3
  282   6   2  -1 44.636  89.272   0.393    2.85    4       37.4        7.0
  283   7   0  -4 44.656  89.311   0.393    2.85    2       20.7        1.1
  284   2   0  -8 44.657  89.315   0.393    2.85    2       50.5        6.4
  285   3   3   3 44.692  89.384   0.393    2.84    4       15.7        1.2
  286   4   0  -8 44.761  89.521   0.394    2.84    2        8.2        0.2
  287   1   2   6 44.792  89.583   0.394    2.84    4       35.4        6.3
  288   6   2  -5 44.83   89.66    0.394    2.84    4       61.2       18.7
  289   1   2  -7 44.897  89.794   0.395    2.83    4        0.4        0.0
  290   3   3  -6 44.91   89.821   0.395    2.83    4       21.8        2.4


  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   5.511  11.022  9.31359        7.3      1.0      1.0     5.6
    2   1   0   0   6.357  12.714  8.07841       18.9      2.6      2.7     5.6
    3   1   0  -1   6.394  12.787  8.03223       50.2      7.0      7.1     5.6
    4   1   0  -2  10.139  20.278  5.08111      149.4     20.7     20.9     5.6
    5   1   1   0  11.037  22.075  4.67206       46.6      6.5      6.5     5.6
    6   2   0   0  12.794  25.588  4.0392        97.7     13.5     13.6     5.6
    7   2   0  -2  12.869  25.737  4.01611      152.5     21.1     21.3     5.6
    8   1   1   1  13.558  27.116  3.81545       41.0      5.7      5.7     5.6
    9   0   1   2  14.333  28.666  3.61309       14.3      2.0      2.0     5.6
   10   2   1  -1  14.711  29.423  3.5222       287.4     39.8     40.0     5.6
   11   1   0   2  15.038  30.075  3.44746       69.3      9.6      9.6     5.6
   12   1   0  -3  15.118  30.237  3.4295        14.3      2.0      2.0     5.6
   13   2   1  -2  15.785  31.569  3.28818       10.5      1.5      1.5     5.6
   14   2   0   1  16.048  32.097  3.23551       77.6     10.7     10.8     5.6
   15   0   0   3  16.745  33.49   3.10453       32.1      4.4      4.5     5.7
   16   1   1   2  17.628  35.256  2.95361       29.7      4.1      4.1     5.7
   17   1   1  -3  17.698  35.396  2.94229      722.6    100.0    100.0     5.7
   18   3   0  -2  17.73   35.459  2.93722       94.6     13.1     13.1     5.7
   19   0   2   0  18.202  36.404  2.8635       270.5     37.4     37.4     5.7
   20   2   1   1  18.513  37.026  2.81703       35.7      4.9      4.9     5.7
   21   0   1   3  19.131  38.261  2.72931      171.2     23.7     23.6     5.7
   22   1   2   0  19.354  38.709  2.69896      145.4     20.1     20.1     5.7
   23   3   0   0  19.4    38.801  2.6928       105.3     14.6     14.5     5.7
   24   3   1  -1  19.976  39.951  2.61828      321.5     44.5     44.3     5.7
   25   3   1  -2  20.014  40.027  2.61353        7.6      1.1      1.1     5.7
   26   2   0   2  20.466  40.932  2.55812      119.6     16.6     16.5     5.7
   27   1   0  -4  20.575  41.15   2.54518        9.0      1.2      1.2     5.7
   28   1   2  -2  21.011  42.023  2.49463       67.4      9.3      9.3     5.7
   29   0   2   2  21.512  43.024  2.43924      151.0     20.9     20.7     5.7
   30   3   1  -3  21.641  43.281  2.42544      148.4     20.5     20.4     5.7
   31   2   2  -1  21.78   43.559  2.41069       17.9      2.5      2.5     5.7
   32   1   1   3  22.537  45.075  2.33366      113.8     15.7     15.6     5.7
   33   1   1  -4  22.617  45.235  2.32584       13.3      1.8      1.8     5.7
   34   2   1  -4  22.654  45.307  2.32231       12.1      1.7      1.7     5.7
   35   3   0  -4  22.7    45.4    2.31781       26.6      3.7      3.7     5.7
   36   4   0  -2  23.609  47.217  2.23344        8.0      1.1      1.1     5.7
   37   1   2  -3  24.012  48.025  2.19804       63.9      8.8      8.7     5.7
   38   4   0  -1  24.277  48.555  2.17549       97.3     13.5     13.3     5.7
   39   4   0  -3  24.364  48.727  2.16825        8.3      1.1      1.1     5.7
   40   0   1   4  24.5    48.999  2.15694       15.6      2.2      2.1     5.7
   41   2   2   1  24.654  49.307  2.14432      120.8     16.7     16.5     5.7
   42   2   2  -3  24.739  49.478  2.13738      127.2     17.6     17.3     5.7
   43   0   2   3  25.148  50.295  2.10486       75.2     10.4     10.2     5.8
   44   2   0   3  25.588  51.177  2.07098       50.6      7.0      6.9     5.8
   45   3   2  -1  25.834  51.667  2.05265        9.5      1.3      1.3     5.8
   46   4   0   0  26.288  52.577  2.0196        34.8      4.8      4.7     5.8
   47   2   1   3  27.34   54.681  1.94755       18.3      2.5      2.5     5.8
   48   2   2   2  27.96   55.921  1.90773       64.8      9.0      8.8     5.8
   49   1   1   4  28.01   56.021  1.9046        31.5      4.4      4.3     5.8
   50   1   2  -4  28.047  56.093  1.90234       49.3      6.8      6.7     5.8
   51   2   2  -4  28.078  56.155  1.90041       94.6     13.1     12.8     5.8
   52   3   1   2  28.393  56.786  1.88104       31.1      4.3      4.2     5.8
   53   0   0   5  28.698  57.396  1.86272       10.3      1.4      1.4     5.8
   54   1   3   0  28.78   57.561  1.85783       12.9      1.8      1.7     5.8
   55   3   2   1  29.627  59.253  1.80939        7.4      1.0      1.0     5.8
   56   0   2   4  29.678  59.356  1.80654        9.0      1.2      1.2     5.8
   57   1   3   1  30.007  60.014  1.78855        7.8      1.1      1.0     5.8
   58   5   0  -2  30.169  60.338  1.77983       35.0      4.8      4.7     5.8
   59   0   1   5  30.328  60.656  1.77138       19.8      2.7      2.7     5.8
   60   4   2  -2  30.524  61.048  1.7611        19.9      2.8      2.7     5.8
   61   2   3  -1  30.633  61.267  1.75541       29.2      4.0      3.9     5.8
   62   4   2  -3  31.161  62.322  1.72861        7.3      1.0      1.0     5.8
   63   4   1  -5  31.273  62.547  1.72302       36.6      5.1      4.9     5.8
   64   2   0  -6  31.441  62.883  1.71475       17.6      2.4      2.4     5.9
   65   5   1  -2  31.753  63.507  1.69964        7.4      1.0      1.0     5.9
   66   3   0  -6  31.878  63.756  1.6937        11.9      1.6      1.6     5.9
   67   1   3  -3  32.429  64.857  1.668         65.8      9.1      8.8     5.9
   68   1   0   5  32.472  64.945  1.666          8.3      1.2      1.1     5.9
   69   1   0  -6  32.571  65.141  1.66152       46.5      6.4      6.2     5.9
   70   1   2   4  32.818  65.636  1.65038       62.0      8.6      8.3     5.9
   71   5   1  -1  32.878  65.757  1.64769       68.6      9.5      9.1     5.9
   72   4   2  -4  32.959  65.919  1.64409      112.5     15.6     15.0     5.9
   73   2   1  -6  32.991  65.982  1.6427        23.3      3.2      3.1     5.9
   74   3   2   2  33.167  66.333  1.63498       29.1      4.0      3.9     5.9
   75   0   3   3  33.37   66.74   1.62616       22.0      3.0      2.9     5.9
   76   4   0  -6  33.847  67.694  1.60592       50.7      7.0      6.7     5.9
   77   3   3  -1  33.948  67.895  1.60172       65.9      9.1      8.7     5.9
   78   1   1   5  33.997  67.994  1.59969       24.5      3.4      3.3     5.9
   79   4   1   2  35.067  70.134  1.55684       39.2      5.4      5.2     5.9
   80   3   3  -3  35.131  70.263  1.55436       36.9      5.1      4.9     5.9
   81   0   0   6  35.186  70.372  1.55226        9.5      1.3      1.3     5.9
   82   5   1  -5  35.33   70.66   1.54675       10.5      1.5      1.4     5.9
   83   6   0  -3  36.922  73.844  1.48896        7.7      1.1      1.0     6.0
   84   5   0  -6  37.231  74.463  1.47836        7.4      1.0      1.0     6.0
   85   2   2   4  37.277  74.555  1.4768        46.7      6.5      6.1     6.0
   86   5   2  -4  37.465  74.929  1.4705        75.8     10.5      9.9     6.0
   87   6   0  -4  37.521  75.042  1.46861       26.5      3.7      3.5     6.0
   88   3   2  -6  37.848  75.697  1.45779       29.6      4.1      3.9     6.0
   89   5   1   1  38.382  76.763  1.44059       10.5      1.4      1.4     6.0
   90   0   4   0  38.663  77.325  1.43175      115.9     16.0     15.1     6.0
   91   2   1   5  38.929  77.858  1.42349       19.0      2.6      2.5     6.0
   92   4   2   2  39.423  78.846  1.40852       69.4      9.6      9.0     6.0
   93   5   2   0  39.469  78.937  1.40714       15.3      2.1      2.0     6.0
   94   1   3   4  40.147  80.293  1.3873        11.8      1.6      1.5     6.0
   95   4   1  -7  40.292  80.583  1.38316        9.3      1.3      1.2     6.1
   96   1   4  -2  40.471  80.942  1.37809        8.0      1.1      1.0     6.1
   97   0   2   6  40.954  81.907  1.36465       11.8      1.6      1.5     6.1
   98   5   0   2  41.219  82.438  1.35743        7.8      1.1      1.0     6.1
   99   5   2   1  42.631  85.261  1.32069       15.4      2.1      2.0     6.1
  100   4   3  -5  42.972  85.944  1.31222       12.4      1.7      1.6     6.1
  101   6   2  -2  43.098  86.195  1.30914       28.3      3.9      3.6     6.1
  102   6   2  -4  43.195  86.39   1.30677       20.9      2.9      2.7     6.1
  103   3   0   5  43.69   87.38   1.29489       11.3      1.6      1.4     6.2
  104   3   0  -8  44.006  88.013  1.28748       28.9      4.0      3.7     6.2
  105   4   2   3  44.182  88.363  1.28342       20.0      2.8      2.5     6.2
  106   4   0   4  44.372  88.743  1.27906       16.5      2.3      2.1     6.2
  107   5   3  -1  44.418  88.835  1.27801       35.4      4.9      4.5     6.2
  108   2   3  -6  44.521  89.041  1.27568       11.8      1.6      1.5     6.2
  109   6   2  -1  44.636  89.272  1.27308       14.5      2.0      1.8     6.2
  110   6   2  -5  44.83   89.66   1.26872       18.7      2.6      2.4     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)