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

                            ***

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

6, Sr, f-epidote, s-epidote

Ca(1.8)Sr(0.2)Al(1.91)Fe(0.33)Mn(0.82)Si(3)O(12)OH


Monoclinic  P 2(1)/m  Z = 2

R =0.046          NR =3313

7 .6 .1995

Ref.Str.:

         Catti M., Ferraris G., Ivaldi G. (1989)

         * Neues Jb. Miner., Mh., H.8, 357-366

Reserv:

         SM42-Ca[Ca(0.699)Sr(0.301)][Al(0.624)Mn(0.376)]Al

         [Mn(0.637)Fe(0.33)Al(0.033)]Si(3)O(12)OH.  N.A.D.

                   Initial data from BDM-file 

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

             a =   8.897    alpha =   90.0 
             b =   5.702    beta  =  115.07
             c =  10.232    gamma =   90.0 

    Unit cell volume (cub. angs.) =   470.17

    Molar volume ( cub.cm/mol.) =   141.6 

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

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

   1 0.7605  0.75    0.1545   1.04   Ca    = 1.00
   2 0.5971  0.75    0.4242   1.04   Ca    = 0.7 , Sr    = 0.3 
   3 0.3424  0.75    0.0447   0.69   Si    = 1.00
   4 0.6856  0.25    0.2757   0.68   Si    = 1.00
   5 0.184   0.75    0.3187   0.75   Si    = 1.00
   6 0.0     0.0     0.0      0.58   Al    = 0.62, Mn    = 0.38
   7 0.0     0.0     0.5      0.57   Al    = 1.00
   8 0.2961  0.25    0.2212   0.63   Mn    = 0.64, Fe    = 0.33, Al    = 0.03
   9 0.2357  0.9915  0.0372   1.11   O     = 1.00
  10 0.3039  0.9791  0.354    1.0    O     = 1.00
  11 0.7972  0.0163  0.3391   0.85   O     = 1.00
  12 0.0595  0.25    0.1318   0.81   O     = 1.00
  13 0.0681  0.75    0.4081   0.89   O     = 1.00
  14 0.516   0.75    0.1782   1.05   O     = 1.00
  15 0.5267  0.25    0.3131   1.1    O     = 1.00
  16 0.6235  0.25    0.1004   1.44   O     = 1.00
  17 0.0851  0.25    0.4321   0.87   O     = 1.00
  18 0.0416  0.75    0.1486   1.0    O     = 1.00
  19 0.05    0.25    0.352    2.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7605     0.75       0.1545
     2       2     0.5971     0.75       0.4242
     3       3     0.3424     0.75       0.0447
     4       4     0.6856     0.25       0.2757
     5       5     0.184      0.75       0.3187
     6       6     0.0        0.0        0.0   
     7       7     0.0        0.0        0.5   
     8       8     0.2961     0.25       0.2212
     9       9     0.2357     0.9915     0.0372
    10      10     0.3039     0.9791     0.354 
    11      11     0.7972     0.0163     0.3391
    12      12     0.0595     0.25       0.1318
    13      13     0.0681     0.75       0.4081
    14      14     0.516      0.75       0.1782
    15      15     0.5267     0.25       0.3131
    16      16     0.6235     0.25       0.1004
    17      17     0.0851     0.25       0.4321
    18      18     0.0416     0.75       0.1486
    19      19     0.05       0.25       0.352 
    20       1     0.2395     0.25       0.8455
    21       2     0.4029     0.25       0.5758
    22       3     0.6576     0.25       0.9553
    23       4     0.3144     0.75       0.7243
    24       5     0.816      0.25       0.6813
    25       6     0.0        0.5        0.0   
    26       7     0.0        0.5        0.5   
    27       8     0.7039     0.75       0.7788
    28       9     0.7643     0.4915     0.9628
    29      10     0.6961     0.4791     0.646 
    30      11     0.2028     0.5163     0.6609
    31      12     0.9405     0.75       0.8682
    32      13     0.9319     0.25       0.5919
    33      14     0.484      0.25       0.8218
    34      15     0.4733     0.75       0.6869
    35      16     0.3765     0.75       0.8996
    36      17     0.9149     0.75       0.5679
    37      18     0.9584     0.25       0.8514
    38      19     0.95       0.75       0.648 
    39       9     0.2357     0.5085     0.0372
    40      10     0.3039     0.5209     0.354 
    41      11     0.7972     0.4837     0.3391
    42       9     0.7643     0.0085     0.9628
    43      10     0.6961     0.0209     0.646 
    44      11     0.2028     0.9837     0.6609


X-ray density (g/cm cub.)   =      3.58

MU (1/cm) =     321.847    Mass attenuation coefficient (cm**2/g) =     89.972

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

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

    1    Ca                  2.88         7
                                                 2.3361      11
                                                 2.8644      13
                                                 2.2886      14
                                                 2.5271      18
                                                 2.4652       9
                                                 2.3361      11
                                                 2.4652       9
    2   Ca   ,Sr             3.072       10
                                                 2.7275      10
                                                 2.7472      11
                                                 2.3059      14
                                                 3.0347      15
                                                 3.0347      15
                                                 2.5726      10
                                                 2.5755      17
                                                 2.7275      10
                                                 2.7472      11
                                                 2.5726      10
    3    Si                  2.1          4
                                                 1.6558       9
                                                 1.5696      14
                                                 1.6365      16
                                                 1.6558       9
    4    Si                  2.1          4
                                                 1.6237      11
                                                 1.6136      15
                                                 1.6379      16
                                                 1.6237      11
    5    Si                  2.1          4
                                                 1.6274      10
                                                 1.643       13
                                                 1.663       18
                                                 1.6274      10
    6   Al   ,Mn             2.724        6
                                                 1.9668       9
                                                 1.8778      12
                                                 2.001       18
                                                 1.8778      12
                                                 2.001       18
                                                 1.9668       9
    7    Al                  2.316        6
                                                 1.8594      11
                                                 1.9407      13
                                                 1.8798      17
                                                 1.9407      13
                                                 1.8798      17
                                                 1.8594      11
    8   Mn   ,Fe   ,Al       2.724        6
                                                 2.269        9
                                                 2.0389      10
                                                 1.9069      12
                                                 1.8597      15
                                                 2.269        9
                                                 2.0389      10
    9    O                   3.264       10
                                                 3.0354      10
                                                 2.6178      12
                                                 2.6735      14
                                                 3.2636      15
                                                 2.801       18
                                                 2.817       12
                                                 2.6348      16
                                                 2.8105      18
                                                 2.9479       9
                                                 2.7541       9
   10    O                   3.264        8
                                                 3.0354       9
                                                 2.8449      12
                                                 2.72        13
                                                 2.6821      15
                                                 2.8517      17
                                                 2.7227      18
                                                 3.0893      10
                                                 2.6127      10
   11    O                   3.264        9
                                                 2.6779      13
                                                 2.7901      14
                                                 2.6638      15
                                                 2.6326      16
                                                 2.6789      17
                                                 2.6973      13
                                                 2.6087      17
                                                 2.6651      11
                                                 3.0369      11
   12    O                   3.264       10
                                                 2.6178       9
                                                 2.8449      10
                                                 2.9833      17
                                                 2.8647      18
                                                 2.8647      18
                                                 2.817        9
                                                 2.6179      18
                                                 2.6178       9
                                                 2.8449      10
                                                 2.817        9
   13    O                   3.264       10
                                                 2.72        10
                                                 2.6779      11
                                                 2.8601      17
                                                 2.8601      17
                                                 2.5642      18
                                                 2.6973      11
                                                 2.5338      17
                                                 2.72        10
                                                 2.6779      11
                                                 2.6973      11
   14    O                   3.264        9
                                                 2.6735       9
                                                 2.7901      11
                                                 3.1514      15
                                                 3.1514      15
                                                 3.2128      16
                                                 3.2128      16
                                                 2.5823      16
                                                 2.6735       9
                                                 2.7901      11
   15    O                   3.264        9
                                                 3.2636       9
                                                 2.6821      10
                                                 2.6638      11
                                                 3.1514      14
                                                 3.1514      14
                                                 2.6583      16
                                                 3.2636       9
                                                 2.6821      10
                                                 2.6638      11
   16    O                   3.264        8
                                                 2.6326      11
                                                 3.2128      14
                                                 3.2128      14
                                                 2.6583      15
                                                 2.6348       9
                                                 2.5823      14
                                                 2.6326      11
                                                 2.6348       9
   17    O                   3.264       10
                                                 2.8517      10
                                                 2.6789      11
                                                 2.9833      12
                                                 2.8601      13
                                                 2.8601      13
                                                 2.6087      11
                                                 2.5338      13
                                                 2.8517      10
                                                 2.6789      11
                                                 2.6087      11
   18    O                   3.264       10
                                                 2.801        9
                                                 2.7227      10
                                                 2.8647      12
                                                 2.8647      12
                                                 2.5642      13
                                                 2.8105       9
                                                 2.6179      12
                                                 2.801        9
                                                 2.7227      10
                                                 2.8105       9
   19    H                   1.632        1
                                                 0.7432      17

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

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

    1   0   0   1  4.767   9.535   0.054  286.56    2        5.2        7.0
    2   1   0   0  5.485  10.97    0.062  215.94    2       11.6       26.1
    3   1   0  -1  5.537  11.075   0.063  211.82    2       27.1      140.7
    4   1   0   1  8.68   17.36    0.098   84.88    2        0.3        0.0
    5   1   0  -2  8.78   17.561   0.099   82.9     2       63.1      299.0
    6   0   1   1  9.126  18.252   0.103   76.57    4        4.9        3.4
    7   1   1   0  9.525  19.051   0.107   70.11    4       21.1       56.6
    8   1   1  -1  9.556  19.112   0.108   69.64    4       11.3       16.0
    9   0   0   2  9.568  19.137   0.108   69.46    2        7.6        3.7
   10   2   0  -1  9.972  19.944   0.112   63.78    2        1.1        0.1
   11   2   0   0 11.021  22.041   0.124   51.83    2       49.0      112.5
   12   2   0  -2 11.127  22.255   0.125   50.8     2       65.0      194.4
   13   1   1   1 11.686  23.372   0.131   45.87    4       24.1       48.2
   14   1   1  -2 11.762  23.523   0.132   45.25    4        8.3        5.7
   15   0   1   2 12.368  24.737   0.139   40.72    4       10.5        8.1
   16   2   1  -1 12.687  25.374   0.143   38.6     4       78.1      425.9
   17   1   0   2 12.951  25.902   0.145   36.96    2       49.2       81.0
   18   1   0  -3 13.066  26.131   0.147   36.28    2        9.6        3.0
   19   2   1   0 13.537  27.075   0.152   33.66    4       16.7       17.0
   20   2   1  -2 13.625  27.251   0.153   33.2     4        6.0        2.2
   21   2   0   1 13.802  27.604   0.155   32.3     2       57.2       95.6
   22   2   0  -3 13.975  27.949   0.157   31.46    2        5.0        0.7
   23   0   0   3 14.438  28.876   0.162   29.35    2       35.8       34.0
   24   1   1   2 15.17   30.34    0.17    26.4     4       22.8       24.8
   25   3   0  -1 15.222  30.443   0.17    26.21    2       23.1       12.7
   26   1   1  -3 15.269  30.539   0.171   26.03    4      154.0     1117.5
   27   3   0  -2 15.281  30.562   0.171   25.99    2       84.0      166.1
   28   0   2   0 15.675  31.35    0.175   24.61    2      136.2      413.2
   29   2   1   1 15.912  31.824   0.178   23.82    4       43.8       82.8
   30   2   1  -3 16.064  32.128   0.18    23.34    4       20.5       17.7
   31   0   2   1 16.42   32.84    0.183   22.26    4        3.0        0.4
   32   0   1   3 16.474  32.948   0.184   22.1     4       92.6      343.1
   33   1   2   0 16.654  33.308   0.186   21.58    4       83.7      273.8
   34   3   0   0 16.663  33.327   0.186   21.56    2       95.2      176.8
   35   1   2  -1 16.672  33.344   0.186   21.53    4        3.6        0.5
   36   3   0  -3 16.827  33.654   0.188   21.1     2       17.7        6.0
   37   3   1  -1 17.174  34.347   0.192   20.19    4      117.2      502.0
   38   3   1  -2 17.227  34.454   0.192   20.05    4       24.0       20.9
   39   2   0   2 17.568  35.135   0.196   19.21    2      117.1      238.3
   40   1   0   3 17.607  35.214   0.196   19.12    2        4.3        0.3
   41   1   0  -4 17.729  35.458   0.198   18.83    2       49.9       42.4
   42   2   0  -4 17.776  35.552   0.198   18.72    2       22.3        8.4
   43   1   2   1 18.027  36.055   0.201   18.16    4       10.6        3.7
   44   1   2  -2 18.079  36.157   0.201   18.04    4       55.2       99.6
   45   3   1   0 18.48   36.96    0.206   17.19    4        7.7        1.9
   46   0   2   2 18.495  36.989   0.206   17.16    4       87.5      237.8
   47   3   1  -3 18.63   37.26    0.207   16.89    4       95.1      276.2
   48   2   2  -1 18.718  37.436   0.208   16.72    4       27.3       22.6
   49   3   0   1 19.308  38.616   0.215   15.61    2       29.3       12.2
   50   2   1   2 19.31   38.621   0.215   15.6     4       22.6       14.5
   51   2   2   0 19.328  38.655   0.215   15.57    4       17.1        8.2
   52   1   1   3 19.347  38.693   0.215   15.54    4       39.0       42.8
   53   2   2  -2 19.392  38.784   0.216   15.46    4       66.8      124.8
   54   0   0   4 19.417  38.835   0.216   15.42    2        0.8        0.0
   55   1   1  -4 19.459  38.918   0.216   15.34    4       32.4       29.1
   56   2   1  -4 19.503  39.005   0.217   15.27    4       41.6       47.7
   57   3   0  -4 19.548  39.097   0.217   15.19    2       53.0       38.6
   58   4   0  -2 20.263  40.527   0.225   14.02    2       24.4        7.5
   59   1   2   2 20.551  41.101   0.228   13.59    4       28.0       19.2
   60   1   2  -3 20.627  41.254   0.229   13.48    4       59.3       85.8
   61   4   0  -1 20.805  41.609   0.231   13.22    2      126.5      191.2
   62   4   0  -3 20.925  41.851   0.232   13.05    2       47.6       26.8
   63   3   1   1 20.927  41.854   0.232   13.05    4        6.4        1.0
   64   0   1   4 21.029  42.058   0.233   12.91    4       30.4       21.6
   65   2   2   1 21.127  42.254   0.234   12.77    4       93.2      200.7
   66   3   1  -4 21.152  42.304   0.234   12.74    4       10.7        2.7
   67   2   2  -3 21.246  42.492   0.235   12.61    4       89.8      184.0
   68   0   2   3 21.571  43.141   0.239   12.19    4       86.2      163.8
   69   4   1  -2 21.824  43.647   0.241   11.88    4       13.8        4.1
   70   2   0   3 21.899  43.797   0.242   11.78    2       78.7       66.0
   71   2   0  -5 22.13   44.26    0.245   11.51    2       26.1        7.1
   72   3   2  -1 22.132  44.264   0.245   11.51    4       23.3       11.3
   73   3   2  -2 22.175  44.35    0.245   11.46    4       15.9        5.2
   74   4   1  -1 22.334  44.668   0.247   11.27    4        5.3        0.6
   75   4   1  -3 22.448  44.896   0.248   11.14    4        3.3        0.2
   76   4   0   0 22.478  44.956   0.248   11.11    2       71.1       50.8
   77   1   0   4 22.511  45.022   0.249   11.07    2       12.8        1.6
   78   1   0  -5 22.639  45.277   0.25    10.93    2       32.0       10.1
   79   4   0  -4 22.705  45.409   0.251   10.86    2       22.1        4.8
   80   3   0   2 22.806  45.613   0.252   10.75    2       12.0        1.4
   81   3   0  -5 23.1    46.2     0.255   10.45    2       31.6        9.4
   82   3   2   0 23.202  46.405   0.256   10.34    4       12.1        2.7
   83   3   2  -3 23.327  46.654   0.257   10.22    4        7.1        0.9
   84   2   1   3 23.371  46.741   0.257   10.17    4       42.4       33.0
   85   2   1  -5 23.591  47.181   0.26     9.96    4        1.0        0.0
   86   2   2   2 23.897  47.794   0.263    9.67    4       80.9      114.6
   87   4   1   0 23.922  47.844   0.263    9.65    4        8.1        1.2
   88   1   2   3 23.928  47.855   0.263    9.65    4       23.5        9.7
   89   1   1   4 23.954  47.907   0.264    9.62    4       47.9       40.0
   90   1   2  -4 24.022  48.045   0.264    9.56    4       54.8       51.9
   91   2   2  -4 24.059  48.118   0.265    9.53    4       92.6      147.9
   92   1   1  -5 24.075  48.15    0.265    9.51    4       42.7       31.4
   93   4   1  -4 24.138  48.276   0.265    9.46    4        3.4        0.2
   94   3   1   2 24.235  48.47    0.266    9.37    4       50.0       42.4
   95   0   3   1 24.438  48.875   0.269    9.19    4        1.7        0.0
   96   3   1  -5 24.516  49.032   0.269    9.13    4        5.5        0.5
   97   0   0   5 24.554  49.109   0.27     9.09    2       34.1        9.6
   98   1   3   0 24.607  49.213   0.27     9.05    4       35.8       21.0
   99   1   3  -1 24.62   49.24    0.27     9.04    4        6.4        0.7
  100   4   0   1 25.105  50.21    0.275    8.65    2       22.9        4.1
  101   3   2   1 25.277  50.554   0.277    8.51    4       23.9        8.8
  102   0   2   4 25.365  50.731   0.278    8.45    4       40.8       25.4
  103   4   0  -5 25.417  50.835   0.279    8.41    2        2.8        0.1
  104   3   2  -4 25.472  50.943   0.279    8.37    4        8.2        1.0
  105   1   3   1 25.624  51.247   0.281    8.25    4       25.1        9.4
  106   1   3  -2 25.662  51.324   0.281    8.23    4       11.6        2.0
  107   5   0  -2 25.747  51.495   0.282    8.16    2       87.6       56.7
  108   5   0  -3 25.812  51.623   0.283    8.12    2       28.9        6.2
  109   0   1   5 25.91   51.821   0.284    8.05    4       31.3       14.3
  110   0   3   2 25.978  51.957   0.284    8.0     4        8.7        1.1
  111   4   2  -2 26.056  52.113   0.285    7.94    4       48.6       33.9
  112   2   3  -1 26.149  52.299   0.286    7.88    4       60.2       51.7
  113   4   1   1 26.44   52.881   0.289    7.68    4        1.1        0.0
  114   4   2  -1 26.504  53.008   0.29     7.64    4       29.2       11.8
  115   4   2  -3 26.605  53.209   0.291    7.58    4       19.6        5.3
  116   2   3   0 26.621  53.243   0.291    7.57    4       15.8        3.4
  117   2   0   4 26.631  53.262   0.291    7.56    2       40.0       11.0
  118   2   3  -2 26.671  53.343   0.291    7.53    4        2.5        0.1
  119   5   0  -1 26.683  53.366   0.291    7.53    2       16.5        1.9
  120   4   1  -5 26.742  53.483   0.292    7.49    4       68.3       63.2
  121   5   0  -4 26.87   53.74    0.293    7.41    2       13.5        1.2
  122   2   0  -6 26.881  53.762   0.293    7.4     2       69.2       32.1
  123   3   0   3 26.92   53.84    0.294    7.38    2        8.4        0.5
  124   5   1  -2 27.06   54.12    0.295    7.29    4       36.5       17.6
  125   5   1  -3 27.122  54.244   0.296    7.25    4       28.0       10.3
  126   3   0  -6 27.255  54.509   0.297    7.17    2       66.1       28.4
  127   2   2   3 27.422  54.844   0.299    7.07    4       10.4        1.4
  128   1   3   2 27.588  55.176   0.301    6.98    4       14.6        2.7
  129   2   2  -5 27.618  55.237   0.301    6.96    4       22.0        6.1
  130   1   3  -3 27.649  55.299   0.301    6.94    4       99.8      125.0
  131   1   0   5 27.659  55.317   0.301    6.94    2       46.2       13.4
  132   1   0  -6 27.793  55.586   0.303    6.86    2      138.9      119.8
  133   2   1   4 27.915  55.829   0.304    6.79    4       44.7       24.5
  134   4   2   0 27.915  55.83    0.304    6.79    4       55.9       38.4
  135   1   2   4 27.943  55.886   0.304    6.78    4       71.1       61.9
  136   5   1  -1 27.965  55.93    0.304    6.76    4       98.8      119.5
  137   2   3   1 28.052  56.104   0.305    6.72    4       32.8       13.1
  138   1   2  -5 28.052  56.104   0.305    6.72    4        7.9        0.8
  139   4   2  -4 28.109  56.217   0.306    6.69    4      121.9      179.8
  140   5   1  -4 28.146  56.293   0.306    6.67    4       36.1       15.7
  141   2   3  -3 28.149  56.298   0.306    6.66    4       12.4        1.8
  142   2   1  -6 28.157  56.314   0.306    6.66    4       40.1       19.4
  143   3   1   3 28.195  56.39    0.307    6.64    4       23.6        6.7
  144   3   2   2 28.196  56.392   0.307    6.64    4       72.3       62.7
  145   0   3   3 28.413  56.826   0.309    6.53    4       68.1       54.8
  146   3   2  -5 28.448  56.897   0.309    6.51    4       15.8        2.9
  147   4   0   2 28.499  56.998   0.31     6.48    2        3.2        0.1
  148   3   1  -6 28.519  57.039   0.31     6.47    4       18.7        4.1
  149   5   0   0 28.549  57.098   0.31     6.46    2       28.3        4.7
  150   5   0  -5 28.847  57.695   0.313    6.31    2       11.1        0.7
  151   3   3  -1 28.874  57.748   0.313    6.29    4       96.7      106.5
  152   4   0  -6 28.881  57.761   0.314    6.29    2      143.4      117.0
  153   3   3  -2 28.91   57.819   0.314    6.27    4       32.1       11.7
  154   1   1   5 28.912  57.823   0.314    6.27    4       81.7       75.8
  155   1   1  -6 29.042  58.084   0.315    6.21    4       19.2        4.1
  156   0   2   5 29.714  59.427   0.322    5.9     4       15.0        2.4
  157   4   1   2 29.729  59.458   0.322    5.89    4       79.7       67.7
  158   3   3   0 29.766  59.531   0.322    5.88    4       15.0        2.4
  159   5   1   0 29.778  59.555   0.322    5.87    4       54.4       31.5
  160   3   3  -3 29.87   59.741   0.323    5.83    4       63.9       43.0
  161   0   0   6 29.912  59.824   0.324    5.81    2       42.9        9.7
  162   5   1  -5 30.068  60.137   0.325    5.74    4       27.8        8.0
  163   4   1  -6 30.101  60.201   0.326    5.73    4        0.5        0.0
  164   4   2   1 30.199  60.397   0.327    5.69    4        2.3        0.1
  165   2   3   2 30.352  60.705   0.328    5.62    4       18.7        3.6
  166   1   3   3 30.378  60.757   0.328    5.61    4       16.4        2.7
  167   1   3  -4 30.459  60.918   0.329    5.58    4       16.2        2.7
  168   4   2  -5 30.475  60.95    0.329    5.57    4       41.7       17.5
  169   2   3  -4 30.49   60.981   0.329    5.57    4       24.5        6.1
  170   5   2  -2 30.768  61.537   0.332    5.46    4       11.8        1.4
  171   5   2  -3 30.826  61.651   0.333    5.43    4       11.7        1.3
  172   0   1   6 31.107  62.215   0.335    5.33    4        0.2        0.0
  173   5   0   1 31.24   62.48    0.337    5.28    2        2.0        0.0
  174   6   0  -3 31.299  62.598   0.337    5.25    2       49.8       11.8
  175   3   0   4 31.534  63.067   0.339    5.17    2       55.4       14.4
  176   3   3   1 31.536  63.073   0.34     5.17    4        6.0        0.3
  177   2   2   4 31.559  63.117   0.34     5.16    4       62.7       36.7
  178   5   2  -1 31.605  63.21    0.34     5.14    4       39.5       14.5
  179   0   3   4 31.613  63.226   0.34     5.14    4       20.6        4.0
  180   5   0  -6 31.635  63.27    0.34     5.13    2       42.0        8.2
  181   6   0  -2 31.676  63.351   0.341    5.12    2        5.7        0.1
  182   3   3  -4 31.705  63.41    0.341    5.11    4        4.1        0.2
  183   2   0   5 31.728  63.455   0.341    5.1     2        7.5        0.3
  184   5   2  -4 31.774  63.548   0.342    5.08    4      106.2      103.8
  185   2   2  -6 31.784  63.567   0.342    5.08    4       76.8       54.2
  186   6   0  -4 31.81   63.621   0.342    5.07    2      100.0       45.9
  187   3   2   3 31.819  63.638   0.342    5.07    4       29.5        8.0
  188   3   0  -7 31.904  63.809   0.343    5.04    2        3.4        0.1
  189   2   0  -7 31.997  63.993   0.344    5.01    2       25.6        3.0
  190   3   2  -6 32.121  64.242   0.345    4.97    4       87.1       68.2
  191   4   3  -2 32.215  64.43    0.346    4.93    4        5.1        0.2
  192   5   1   1 32.407  64.813   0.348    4.87    4       36.6       11.8
  193   6   1  -3 32.465  64.929   0.348    4.85    4        6.3        0.3
  194   1   2   5 32.487  64.973   0.349    4.84    4       24.9        5.4
  195   4   0   3 32.528  65.055   0.349    4.83    2       51.3       11.5
  196   4   3  -1 32.608  65.216   0.35     4.81    4        0.2        0.0
  197   1   2  -6 32.609  65.217   0.35     4.81    4       22.5        4.4
  198   3   1   4 32.695  65.39    0.351    4.78    4        7.9        0.5
  199   4   3  -3 32.696  65.392   0.351    4.78    4        7.4        0.5
  200   0   4   0 32.708  65.416   0.351    4.77    2      225.5      219.7
  201   5   1  -6 32.794  65.588   0.352    4.75    4        9.9        0.8
  202   6   1  -2 32.834  65.668   0.352    4.74    4       29.2        7.3
  203   2   1   5 32.885  65.77    0.352    4.72    4       77.2       50.9
  204   6   0  -1 32.923  65.847   0.353    4.71    2        5.6        0.1
  205   6   1  -4 32.966  65.932   0.353    4.69    4       27.4        6.4
  206   4   0  -7 32.969  65.939   0.353    4.69    2        9.3        0.4
  207   3   1  -7 33.059  66.117   0.354    4.67    4       44.3       16.6
  208   1   0   6 33.098  66.196   0.354    4.66    2        9.6        0.4
  209   0   4   1 33.142  66.283   0.355    4.64    4        3.1        0.1
  210   2   1  -7 33.149  66.298   0.355    4.64    4       39.8       13.3
  211   6   0  -5 33.187  66.374   0.355    4.63    2       31.9        4.3
  212   1   0  -7 33.241  66.482   0.356    4.61    2       31.4        4.1
  213   4   2   2 33.252  66.504   0.356    4.61    4      130.4      141.8
  214   1   4   0 33.281  66.562   0.356    4.6     4        5.1        0.2
  215   1   4  -1 33.292  66.584   0.356    4.6     4       15.4        2.0
  216   5   2   0 33.298  66.596   0.356    4.6     4       49.0       20.0
  217   2   3   3 33.42   66.84    0.358    4.56    4       30.8        7.8
  218   5   2  -5 33.571  67.143   0.359    4.52    4       16.4        2.2
  219   2   3  -5 33.594  67.189   0.359    4.51    4        3.6        0.1
  220   4   2  -6 33.602  67.204   0.359    4.51    4       35.2       10.1
  221   4   1   3 33.671  67.341   0.36     4.49    4        3.5        0.1
  222   4   3   0 33.859  67.718   0.362    4.44    4        6.8        0.4
  223   1   3   4 33.884  67.769   0.362    4.43    4       46.1       17.0
  224   1   3  -5 33.982  67.964   0.363    4.4     4       30.5        7.4
  225   4   3  -4 34.033  68.065   0.363    4.39    4        1.5        0.0
  226   6   1  -1 34.059  68.119   0.364    4.38    4       40.3       12.9
  227   4   1  -7 34.105  68.209   0.364    4.37    4       42.6       14.3
  228   3   3   2 34.111  68.221   0.364    4.37    4       26.7        5.6
  229   1   4   1 34.128  68.255   0.364    4.36    4        2.0        0.0
  230   1   4  -2 34.16   68.32    0.364    4.36    4       35.3        9.8
  231   1   1   6 34.231  68.463   0.365    4.34    4        3.6        0.1
  232   6   1  -5 34.319  68.638   0.366    4.31    4       19.4        2.9
  233   3   3  -5 34.338  68.675   0.366    4.31    4       13.2        1.4
  234   1   1  -7 34.372  68.743   0.366    4.3     4        3.2        0.1
  235   0   4   2 34.426  68.853   0.367    4.29    4        6.4        0.3
  236   0   2   6 34.552  69.104   0.368    4.25    4       68.4       36.1
  237   2   4  -1 34.571  69.142   0.368    4.25    4        0.1        0.0
  238   5   0   2 34.655  69.311   0.369    4.23    2       73.6       20.7
  239   2   4   0 34.972  69.944   0.372    4.15    4       23.8        4.3
  240   6   0   0 34.994  69.988   0.372    4.15    2       22.5        1.9
  241   2   4  -2 35.015  70.03    0.372    4.14    4       34.5        8.9
  242   5   0  -7 35.137  70.274   0.374    4.11    2        4.2        0.1
  243   6   0  -6 35.378  70.756   0.376    4.06    2       24.8        2.2
  244   0   3   5 35.483  70.965   0.377    4.03    4       25.1        4.6
  245   0   0   7 35.576  71.152   0.378    4.01    2       30.0        3.3
  246   5   1   2 35.765  71.53    0.379    3.97    4       22.8        3.7
  247   5   2   1 35.787  71.574   0.38     3.97    4       20.5        3.0
  248   1   4   2 35.802  71.605   0.38     3.96    4       25.6        4.7
  249   6   2  -3 35.843  71.685   0.38     3.95    4       40.4       11.7
  250   1   4  -3 35.855  71.711   0.38     3.95    4        7.9        0.4
  251   4   3   1 35.925  71.851   0.381    3.94    4        0.2        0.0
  252   3   2   4 36.062  72.125   0.382    3.91    4       13.4        1.3
  253   6   1   0 36.099  72.199   0.382    3.9     4       16.4        1.9
  254   5   2  -6 36.157  72.314   0.383    3.89    4       47.6       15.9
  255   4   3  -5 36.179  72.358   0.383    3.88    4       54.3       20.7
  256   6   2  -2 36.195  72.39    0.383    3.88    4       77.8       42.4
  257   2   4   1 36.205  72.41    0.383    3.88    4       34.7        8.5
  258   5   1  -7 36.241  72.481   0.384    3.87    4       10.6        0.8
  259   2   2   5 36.244  72.488   0.384    3.87    4       19.6        2.7
  260   2   4  -3 36.29   72.579   0.384    3.86    4        7.8        0.4
  261   6   2  -4 36.322  72.643   0.384    3.85    4       72.2       36.3
  262   3   2  -7 36.41   72.82    0.385    3.83    4        7.6        0.4
  263   5   3  -2 36.448  72.896   0.386    3.83    4       37.7        9.8
  264   6   1  -6 36.479  72.957   0.386    3.82    4       19.5        2.6
  265   2   2  -7 36.497  72.993   0.386    3.82    4       10.4        0.7
  266   5   3  -3 36.501  73.002   0.386    3.82    4       17.6        2.1
  267   0   4   3 36.52   73.041   0.386    3.81    4       15.0        1.6
  268   3   0   5 36.624  73.249   0.387    3.79    2       70.1       16.9
  269   0   1   7 36.674  73.347   0.388    3.78    4       46.9       15.0
  270   3   4  -1 36.925  73.85    0.39     3.73    4       13.3        1.2
  271   3   4  -2 36.956  73.913   0.39     3.73    4       54.6       20.1
  272   4   2   3 36.997  73.993   0.391    3.72    4       77.1       40.1
  273   3   0  -8 37.033  74.066   0.391    3.71    2       84.0       23.7
  274   4   0   4 37.133  74.265   0.392    3.7     2       72.5       17.6
  275   2   3   4 37.178  74.355   0.392    3.69    4       37.2        9.2
  276   5   3  -1 37.221  74.441   0.393    3.68    4       90.9       55.0
  277   2   0   6 37.227  74.455   0.393    3.68    2       61.1       12.4
  278   6   2  -1 37.37   74.741   0.394    3.65    4       44.1       12.8
  279   7   0  -3 37.373  74.747   0.394    3.65    2       26.2        2.3
  280   5   3  -4 37.377  74.754   0.394    3.65    4       20.4        2.8
  281   2   3  -6 37.386  74.772   0.394    3.65    4       35.2        8.2
  282   4   2  -7 37.414  74.828   0.394    3.64    4       14.7        1.4
  283   3   3   3 37.419  74.838   0.394    3.64    4       25.9        4.4
  284   7   0  -4 37.446  74.892   0.395    3.64    2       24.3        1.9
  285   2   0  -8 37.519  75.038   0.395    3.63    2       61.7       12.5
  286   1   2   6 37.536  75.072   0.395    3.62    4       38.0        9.5
  287   6   2  -5 37.62   75.24    0.396    3.61    4       77.8       39.5
  288   4   0  -8 37.633  75.265   0.396    3.61    2       27.1        2.4
  289   1   2  -7 37.671  75.342   0.397    3.6     4        9.1        0.5
  290   3   3  -6 37.7    75.399   0.397    3.59    4       22.0        3.1
  291   3   1   5 37.71   75.421   0.397    3.59    4        8.7        0.5
  292   3   4   0 37.714  75.429   0.397    3.59    4       61.5       24.6
  293   3   4  -3 37.808  75.616   0.398    3.58    4       10.2        0.7
  294   6   0   1 37.832  75.664   0.398    3.57    2       31.8        3.3
  295   1   3   5 38.041  76.081   0.4      3.54    4       70.3       31.6
  296   3   1  -8 38.115  76.229   0.401    3.53    4        0.9        0.0
  297   7   0  -2 38.118  76.236   0.401    3.52    2        9.5        0.3
  298   1   3  -6 38.154  76.309   0.401    3.52    4        6.9        0.3
  299   4   1   4 38.214  76.427   0.402    3.51    4       15.4        1.5
  300   2   4   2 38.239  76.478   0.402    3.51    4       85.9       46.8
  301   1   4   3 38.262  76.525   0.402    3.5     4        7.0        0.3
  302   2   1   6 38.307  76.614   0.402    3.49    4       12.7        1.0
  303   6   0  -7 38.329  76.657   0.403    3.49    2       23.5        1.7
  304   1   4  -4 38.335  76.669   0.403    3.49    4       35.4        7.9
  305   7   0  -5 38.335  76.671   0.403    3.49    2        4.0        0.0
  306   2   4  -4 38.363  76.726   0.403    3.49    4        7.9        0.4
  307   7   1  -3 38.452  76.904   0.404    3.47    4        9.3        0.5
  308   7   1  -4 38.524  77.048   0.404    3.46    4       15.8        1.6
  309   2   1  -8 38.596  77.192   0.405    3.45    4        4.6        0.1
  310   4   1  -8 38.709  77.417   0.406    3.43    4        9.8        0.6
  311   5   0   3 38.736  77.473   0.406    3.43    2       14.7        0.7
  312   4   3   2 38.757  77.515   0.406    3.43    4       62.3       24.1
  313   5   3   0 38.801  77.601   0.407    3.42    4       47.0       13.7
  314   6   1   1 38.906  77.812   0.408    3.4     4        1.1        0.0
  315   1   0   7 38.923  77.846   0.408    3.4     2       11.8        0.4
  316   5   2   2 39.018  78.035   0.409    3.39    4       18.3        2.0
  317   5   3  -5 39.057  78.115   0.409    3.38    4       12.9        1.0
  318   1   0  -8 39.077  78.154   0.409    3.38    2       14.1        0.6
  319   4   3  -6 39.086  78.172   0.409    3.38    4        2.2        0.0
  320   7   1  -2 39.19   78.38    0.41     3.36    4       22.6        3.1
  321   5   0  -8 39.301  78.603   0.411    3.35    2        4.6        0.1
  322   3   4   1 39.308  78.617   0.411    3.35    4       21.1        2.7
  323   6   2   0 39.342  78.684   0.412    3.34    4       31.5        6.0
  324   0   4   4 39.378  78.756   0.412    3.34    4       13.4        1.1
  325   6   1  -7 39.399  78.798   0.412    3.33    4       71.1       30.5
  326   7   1  -5 39.405  78.811   0.412    3.33    4        1.5        0.0
  327   3   4  -4 39.462  78.924   0.413    3.32    4       48.2       14.0
  328   5   2  -7 39.479  78.958   0.413    3.32    4       24.3        3.5
  329   7   0  -1 39.666  79.332   0.414    3.3     2       13.1        0.5
  330   6   2  -6 39.711  79.421   0.415    3.29    4       35.1        7.4
  331   5   1   3 39.803  79.607   0.416    3.28    4        4.8        0.1
  332   0   2   7 39.9    79.801   0.416    3.27    4       54.7       17.7
  333   4   4  -2 39.928  79.856   0.417    3.26    4        3.7        0.1
  334   0   3   6 39.985  79.969   0.417    3.26    4        5.1        0.2
  335   1   1   7 39.988  79.977   0.417    3.26    4        9.1        0.5
  336   7   0  -6 40.024  80.047   0.417    3.25    2        1.0        0.0
  337   1   1  -8 40.141  80.283   0.418    3.24    4       10.1        0.6
  338   4   4  -1 40.289  80.577   0.42     3.22    4       65.1       24.7
  339   5   1  -8 40.364  80.728   0.42     3.21    4        1.5        0.0
  340   4   4  -3 40.37   80.74    0.42     3.21    4       23.6        3.2
  341   7   1  -1 40.727  81.453   0.424    3.17    4        7.2        0.3
  342   3   2   5 40.912  81.824   0.425    3.15    4       32.9        6.2
  343   2   4   3 41.039  82.078   0.426    3.13    4       38.8        8.5
  344   7   1  -6 41.082  82.164   0.427    3.13    4       37.3        7.9
  345   5   3   1 41.162  82.323   0.427    3.12    4       36.6        7.6
  346   2   4  -5 41.201  82.403   0.428    3.12    4       13.2        1.0
  347   6   3  -3 41.215  82.429   0.428    3.12    4        5.1        0.1
  348   3   2  -8 41.307  82.615   0.428    3.11    4       28.6        4.6
  349   6   0   2 41.399  82.797   0.429    3.1     2       14.0        0.5
  350   4   2   4 41.404  82.808   0.429    3.1     4       27.0        4.1
  351   3   3   4 41.425  82.851   0.429    3.09    4        0.6        0.0
  352   4   4   0 41.448  82.896   0.43     3.09    4       40.9        9.3
  353   1   4   4 41.471  82.943   0.43     3.09    4        7.1        0.3
  354   2   2   6 41.496  82.992   0.43     3.09    4       22.8        2.9
  355   5   3  -6 41.516  83.033   0.43     3.08    4        4.6        0.1
  356   6   3  -2 41.553  83.106   0.431    3.08    4       26.2        3.8
  357   1   4  -5 41.563  83.125   0.431    3.08    4       15.4        1.3
  358   2   3   5 41.6    83.2     0.431    3.08    4       65.2       23.7
  359   4   4  -4 41.61   83.22    0.431    3.08    4       15.4        1.3
  360   7   2  -3 41.638  83.275   0.431    3.07    4       35.3        6.9
  361   0   0   8 41.674  83.348   0.432    3.07    2        8.1        0.2
  362   6   3  -4 41.674  83.349   0.432    3.07    4       26.7        4.0
  363   3   4   2 41.683  83.366   0.432    3.07    4        6.9        0.3
  364   7   2  -4 41.709  83.417   0.432    3.07    4       12.7        0.9
  365   3   3  -7 41.759  83.518   0.432    3.06    4       39.0        8.4
  366   2   2  -8 41.779  83.559   0.432    3.06    4       23.4        3.0
  367   2   3  -7 41.843  83.685   0.433    3.05    4       32.0        5.7
  368   4   2  -8 41.89   83.78    0.433    3.05    4       14.7        1.2
  369   3   4  -5 41.895  83.79    0.433    3.05    4       17.1        1.6
  370   7   0   0 41.996  83.992   0.434    3.04    2        9.6        0.3
  371   6   0  -8 42.006  84.011   0.434    3.04    2       77.0       16.3
  372   6   2   1 42.084  84.168   0.435    3.03    4       17.9        1.7
  373   3   0   6 42.25   84.499   0.436    3.02    2       11.9        0.4
  374   4   3   3 42.324  84.649   0.437    3.01    4        5.3        0.2
  375   4   0   5 42.332  84.664   0.437    3.01    2        6.1        0.1
  376   7   2  -2 42.363  84.726   0.437    3.01    4       29.0        4.6
  377   6   1   2 42.45   84.901   0.438    3.0     4        4.2        0.1
  378   7   0  -7 42.49   84.981   0.438    3.0     2       11.7        0.4
  379   6   2  -7 42.568  85.137   0.439    2.99    4       12.5        0.8
  380   7   2  -5 42.575  85.15    0.439    2.99    4       11.8        0.8
  381   6   3  -1 42.686  85.371   0.44     2.98    4       32.3        5.6
  382   3   0  -9 42.704  85.407   0.44     2.98    2       22.1        1.3
  383   0   1   8 42.725  85.449   0.44     2.98    4       55.2       16.4
  384   4   3  -7 42.728  85.456   0.44     2.98    4       38.8        8.1
  385   1   3   6 42.846  85.692   0.441    2.97    4        2.7        0.0
  386   0   5   1 42.886  85.772   0.442    2.96    4        3.8        0.1
  387   4   0  -9 42.897  85.794   0.442    2.96    2        0.2        0.0
  388   6   3  -5 42.928  85.855   0.442    2.96    4       14.2        1.1
  389   5   2   3 42.967  85.934   0.442    2.96    4        9.0        0.4
  390   0   4   5 42.974  85.949   0.442    2.96    4       20.6        2.3
  391   1   3  -7 42.977  85.954   0.443    2.96    4        9.0        0.4
  392   1   5   0 43.014  86.028   0.443    2.95    4        0.0        0.0
  393   1   5  -1 43.024  86.048   0.443    2.95    4        5.3        0.2
  394   7   1   0 43.045  86.091   0.443    2.95    4       58.9       18.5
  395   6   1  -8 43.055  86.11    0.443    2.95    4       23.6        3.0
  396   1   2   7 43.149  86.299   0.444    2.94    4       13.2        0.9
  397   2   0   7 43.238  86.475   0.445    2.94    2       45.7        5.6
  398   3   1   6 43.298  86.597   0.445    2.93    4       35.3        6.6
  399   1   2  -8 43.3    86.601   0.445    2.93    4       55.4       16.3
  400   4   1   5 43.381  86.762   0.446    2.93    4       31.0        5.1
  401   4   4   1 43.395  86.79    0.446    2.92    4        7.4        0.3
  402   5   0   4 43.484  86.969   0.447    2.92    2        0.4        0.0
  403   5   2  -8 43.521  87.041   0.447    2.92    4       61.2       19.8
  404   7   1  -7 43.539  87.077   0.447    2.91    4       65.9       22.9
  405   2   0  -9 43.56   87.119   0.447    2.91    2       40.1        4.2
  406   4   4  -5 43.636  87.272   0.448    2.91    4        4.8        0.1
  407   3   1  -9 43.751  87.503   0.449    2.9     4       21.2        2.4
  408   1   5   1 43.797  87.593   0.449    2.9     4        6.7        0.2
  409   1   5  -2 43.827  87.654   0.449    2.9     4        0.6        0.0
  410   8   0  -4 43.842  87.684   0.45     2.89    2       19.7        1.0
  411   7   2  -1 43.879  87.758   0.45     2.89    4       14.8        1.1
  412   5   4  -2 43.894  87.787   0.45     2.89    4       56.0       16.4
  413   5   4  -3 43.944  87.888   0.45     2.89    4       13.1        0.9
  414   4   1  -9 43.944  87.888   0.45     2.89    4       74.2       28.8
  415   0   5   2 44.075  88.15    0.452    2.88    4        7.0        0.3
  416   5   0  -9 44.138  88.276   0.452    2.88    2       14.7        0.6
  417   8   0  -3 44.158  88.315   0.452    2.87    2       75.9       15.0
  418   2   5  -1 44.21   88.42    0.453    2.87    4       37.7        7.4
  419   7   2  -6 44.231  88.462   0.453    2.87    4       37.5        7.3
  420   2   1   7 44.284  88.569   0.453    2.87    4       26.2        3.6
  421   5   3   2 44.289  88.578   0.453    2.87    4       28.4        4.2
  422   8   0  -5 44.318  88.637   0.454    2.87    2       37.1        3.6
  423   5   1   4 44.531  89.061   0.455    2.85    4       18.1        1.7
  424   2   5   0 44.586  89.172   0.456    2.85    4       10.5        0.6
  425   2   4   4 44.594  89.187   0.456    2.85    4       24.9        3.2
  426   2   1  -9 44.606  89.212   0.456    2.85    4       46.0       10.9
  427   6   3   0 44.607  89.214   0.456    2.85    4       12.6        0.8
  428   2   5  -2 44.626  89.252   0.456    2.85    4        0.4        0.0
  429   5   4  -1 44.635  89.27    0.456    2.85    4       16.7        1.4
  430   5   3  -7 44.741  89.483   0.457    2.84    4       11.6        0.7
  431   5   4  -4 44.786  89.572   0.457    2.84    4       11.5        0.7
  432   2   4  -6 44.795  89.589   0.457    2.84    4       41.6        8.9
  433   3   4   3 44.826  89.652   0.458    2.84    4        4.2        0.1
  434   8   1  -4 44.888  89.776   0.458    2.83    4       10.4        0.6
  435   6   3  -6 44.969  89.937   0.459    2.83    4       17.3        1.5


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

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

    1   1   0   0   5.485  10.97   8.05882       26.1      2.0      2.1     5.6
    2   1   0  -1   5.537  11.075  7.98257      140.7     11.0     11.1     5.6
    3   1   0  -2   8.78   17.561  5.04609      299.0     23.3     23.5     5.6
    4   1   1   0   9.525  19.051  4.6547        56.6      4.4      4.5     5.6
    5   1   1  -1   9.556  19.112  4.63986       19.7      1.5      1.5     5.6
    6   2   0   0  11.021  22.041  4.02941      112.5      8.8      8.8     5.6
    7   2   0  -2  11.127  22.255  3.99128      194.4     15.1     15.2     5.6
    8   1   1   1  11.686  23.372  3.803         48.2      3.8      3.8     5.6
    9   2   1  -1  12.687  25.374  3.50721      425.9     33.2     33.3     5.6
   10   1   0   2  12.951  25.902  3.4369        81.0      6.3      6.3     5.6
   11   2   1   0  13.537  27.075  3.29068       17.0      1.3      1.3     5.6
   12   2   0   1  13.802  27.604  3.22874       95.6      7.4      7.5     5.6
   13   0   0   3  14.438  28.876  3.08935       34.0      2.7      2.7     5.6
   14   1   1   2  15.17   30.34   2.94353       24.8      1.9      1.9     5.6
   15   1   1  -3  15.269  30.539  2.92487     1283.5    100.0    100.0     5.6
   16   0   2   0  15.675  31.35   2.851        413.2     32.2     32.2     5.6
   17   2   1   1  15.912  31.824  2.80958       82.8      6.5      6.4     5.6
   18   2   1  -3  16.064  32.128  2.78372       17.7      1.4      1.4     5.6
   19   0   1   3  16.474  32.948  2.71629      343.1     26.7     26.7     5.6
   20   1   2   0  16.654  33.308  2.68776      451.2     35.1     35.1     5.6
   21   3   1  -1  17.174  34.347  2.60874      502.0     39.1     39.0     5.7
   22   3   1  -2  17.227  34.454  2.6009        20.9      1.6      1.6     5.7
   23   2   0   2  17.568  35.135  2.55202      238.3     18.6     18.5     5.7
   24   1   0  -4  17.729  35.458  2.52956       42.4      3.3      3.3     5.7
   25   1   2  -2  18.079  36.157  2.48221       99.6      7.8      7.7     5.7
   26   0   2   2  18.495  36.989  2.42824      239.7     18.7     18.6     5.7
   27   3   1  -3  18.63   37.26   2.41124      276.2     21.5     21.4     5.7
   28   2   2  -1  18.718  37.436  2.40029       22.6      1.8      1.8     5.7
   29   2   1   2  19.31   38.621  2.32936       34.8      2.7      2.7     5.7
   30   1   1   3  19.347  38.693  2.32514       42.8      3.3      3.3     5.7
   31   2   2  -2  19.392  38.784  2.31993      124.8      9.7      9.7     5.7
   32   1   1  -4  19.459  38.918  2.31224       29.1      2.3      2.2     5.7
   33   2   1  -4  19.503  39.005  2.30726       47.7      3.7      3.7     5.7
   34   3   0  -4  19.548  39.097  2.30208       38.6      3.0      3.0     5.7
   35   1   2   2  20.551  41.101  2.1943        19.2      1.5      1.5     5.7
   36   1   2  -3  20.627  41.254  2.18653       85.8      6.7      6.6     5.7
   37   4   0  -1  20.805  41.609  2.16869      191.2     14.9     14.7     5.7
   38   4   0  -3  20.925  41.851  2.15673       27.8      2.2      2.1     5.7
   39   0   1   4  21.029  42.058  2.14656       21.6      1.7      1.7     5.7
   40   2   2   1  21.127  42.254  2.13709      203.4     15.8     15.7     5.7
   41   2   2  -3  21.246  42.492  2.12565      184.0     14.3     14.2     5.7
   42   0   2   3  21.571  43.141  2.09516      163.8     12.8     12.6     5.7
   43   2   0   3  21.899  43.797  2.06528       66.0      5.1      5.1     5.7
   44   3   2  -1  22.132  44.264  2.0446        18.4      1.4      1.4     5.7
   45   4   0   0  22.478  44.956  2.0147        50.8      4.0      3.9     5.7
   46   2   1   3  23.371  46.741  1.94183       33.0      2.6      2.5     5.7
   47   2   2   2  23.897  47.794  1.9015       115.8      9.0      8.9     5.7
   48   1   1   4  23.954  47.907  1.89726       49.7      3.9      3.8     5.7
   49   1   2  -4  24.022  48.045  1.89215       51.9      4.0      4.0     5.7
   50   2   2  -4  24.059  48.118  1.88942      179.3     14.0     13.7     5.7
   51   3   1   2  24.235  48.47   1.87653       42.4      3.3      3.2     5.7
   52   1   3   0  24.607  49.213  1.84991       21.7      1.7      1.7     5.7
   53   0   2   4  25.365  50.731  1.79809       25.4      2.0      1.9     5.8
   54   5   0  -2  25.747  51.495  1.77318       56.7      4.4      4.3     5.8
   55   0   1   5  25.91   51.821  1.7628        14.3      1.1      1.1     5.8
   56   4   2  -2  26.056  52.113  1.75361       33.9      2.6      2.6     5.8
   57   2   3  -1  26.149  52.299  1.7478        51.7      4.0      3.9     5.8
   58   2   0   4  26.631  53.262  1.71845       19.7      1.5      1.5     5.8
   59   4   1  -5  26.742  53.483  1.71186       63.2      4.9      4.8     5.8
   60   2   0  -6  26.881  53.762  1.70364       33.3      2.6      2.5     5.8
   61   5   1  -2  27.06   54.12   1.6932        17.6      1.4      1.3     5.8
   62   3   0  -6  27.255  54.509  1.68203       28.4      2.2      2.2     5.8
   63   1   3  -3  27.649  55.299  1.65988      138.4     10.8     10.5     5.8
   64   1   0  -6  27.793  55.586  1.65198      119.8      9.3      9.1     5.8
   65   1   2   4  27.943  55.886  1.64381      244.3     19.0     18.5     5.8
   66   2   3   1  28.052  56.104  1.63794       13.8      1.1      1.0     5.8
   67   4   2  -4  28.109  56.217  1.63491      179.8     14.0     13.6     5.8
   68   2   1  -6  28.157  56.314  1.63234       36.9      2.9      2.8     5.8
   69   3   2   2  28.196  56.392  1.63027       69.4      5.4      5.3     5.8
   70   0   3   3  28.413  56.826  1.61883       54.8      4.3      4.1     5.8
   71   4   0  -6  28.881  57.761  1.59483      223.5     17.4     16.9     5.8
   72   1   1   5  28.912  57.823  1.59327       87.5      6.8      6.6     5.8
   73   4   1   2  29.729  59.458  1.55331       70.1      5.5      5.3     5.8
   74   5   1   0  29.778  59.555  1.55099       33.9      2.6      2.6     5.8
   75   3   3  -3  29.87   59.741  1.54662       43.0      3.4      3.2     5.8
   76   4   2  -5  30.475  60.95   1.51879       26.2      2.0      2.0     5.8
   77   2   2   4  31.559  63.117  1.47177       51.4      4.0      3.9     5.9
   78   5   2  -1  31.605  63.21   1.46982       18.5      1.4      1.4     5.9
   79   5   2  -4  31.774  63.548  1.46283      158.0     12.3     11.8     5.9
   80   6   0  -4  31.81   63.621  1.46133       53.9      4.2      4.0     5.9
   81   3   2  -6  32.121  64.242  1.44869       68.2      5.3      5.1     5.9
   82   0   4   0  32.708  65.416  1.4255       219.7     17.1     16.4     5.9
   83   2   1   5  32.885  65.77   1.41868       50.9      4.0      3.8     5.9
   84   3   1  -7  33.059  66.117  1.41207       16.6      1.3      1.2     5.9
   85   2   1  -7  33.149  66.298  1.40866       13.3      1.0      1.0     5.9
   86   4   2   2  33.252  66.504  1.40479      145.9     11.4     10.9     5.9
   87   5   2   0  33.298  66.596  1.40307       22.0      1.7      1.6     5.9
   88   1   3   4  33.884  67.769  1.38162       17.0      1.3      1.3     5.9
   89   6   1  -1  34.059  68.119  1.37537       12.9      1.0      1.0     5.9
   90   4   1  -7  34.105  68.209  1.37377       20.0      1.6      1.5     5.9
   91   0   2   6  34.552  69.104  1.35814       36.1      2.8      2.7     5.9
   92   5   0   2  34.655  69.311  1.3546        20.7      1.6      1.5     5.9
   93   6   2  -2  36.195  72.39   1.30437       87.5      6.8      6.5     5.9
   94   6   2  -4  36.322  72.643  1.30045       36.3      2.8      2.7     6.0
   95   3   0   5  36.624  73.249  1.29119       16.9      1.3      1.2     6.0
   96   0   1   7  36.674  73.347  1.2897        15.0      1.2      1.1     6.0
   97   3   4  -2  36.956  73.913  1.28123       20.1      1.6      1.5     6.0
   98   4   2   3  36.997  73.993  1.28003       40.1      3.1      2.9     6.0
   99   3   0  -8  37.033  74.066  1.27896       23.7      1.8      1.7     6.0
  100   4   0   4  37.133  74.265  1.27601       17.6      1.4      1.3     6.0
  101   5   3  -1  37.221  74.441  1.27343       67.4      5.3      5.0     6.0
  102   6   2  -1  37.37   74.741  1.26907       26.0      2.0      1.9     6.0
  103   2   0  -8  37.519  75.038  1.26478       22.0      1.7      1.6     6.0
  104   6   2  -5  37.62   75.24   1.26188       41.9      3.3      3.1     6.0
  105   3   4   0  37.714  75.429  1.25919       28.2      2.2      2.1     6.0
  106   1   3   5  38.041  76.081  1.25001       31.6      2.5      2.3     6.0
  107   2   4   2  38.239  76.478  1.24451       48.3      3.8      3.5     6.0
  108   4   3   2  38.757  77.515  1.23043       24.1      1.9      1.8     6.0
  109   5   3   0  38.801  77.601  1.22928       13.7      1.1      1.0     6.0
  110   6   1  -7  39.399  78.798  1.21359       31.6      2.5      2.3     6.0
  111   3   4  -4  39.462  78.924  1.21196       17.5      1.4      1.3     6.0
  112   0   2   7  39.9    79.801  1.20083       17.8      1.4      1.3     6.0
  113   4   4  -1  40.289  80.577  1.19121       24.7      1.9      1.8     6.1
  114   2   3   5  41.6    83.2    1.16019       25.0      1.9      1.8     6.1
  115   6   0  -8  42.006  84.011  1.15104       16.3      1.3      1.2     6.1
  116   0   1   8  42.725  85.449  1.13531       24.5      1.9      1.8     6.1
  117   7   1   0  43.045  86.091  1.12849       21.5      1.7      1.5     6.1
  118   1   2  -8  43.3    86.601  1.12314       22.9      1.8      1.6     6.1
  119   7   1  -7  43.539  87.077  1.11822       46.9      3.7      3.4     6.1
  120   5   4  -2  43.894  87.787  1.111         17.5      1.4      1.2     6.2
  121   4   1  -9  43.944  87.888  1.10998       28.8      2.2      2.1     6.2
  122   8   0  -3  44.158  88.315  1.10572       15.0      1.2      1.1     6.2
  123   2   5  -1  44.21   88.42   1.10467       14.7      1.1      1.0     6.2
  124   2   1  -9  44.606  89.212  1.09691       16.4      1.3      1.2     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)