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       ***
                  ***********************
PROTOANTHOPHYLLITE

1, f-amphiboles, sf-Mg-Fe-amphiboles, s-anthophyllite, DN

(Mg,Fe,Na)(7)[Si(4)O(11)](2)(OH)(2)


Orthorhombic  P nmn  Z = 12

R =0.0471          NR =961

21 .6 .1904

Ref.Str.:

         H. Konishi, Th. Groy, I. Dodony, R. Miyawaki, S. Matsubara, P. Buseck (2003)

         * Amer. Mineral., 88, 1718-1723

Reserv:

         from The Takase ultramafic complex in Japan.  N.A.D.

                   Initial data from BDM-file 

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

             a =   9.3553   alpha =   90.0 
             b =  17.9308   beta  =   90.0 
             c =   5.3117   gamma =   90.0 

    Unit cell volume (cub. angs.) =   891.03

    Molar volume ( cub.cm/mol.) =    44.72

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

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

   1 0.0     0.0872  0.5      0.0    Mg    = 0.98, Fe    = 0.02
   2 0.0     0.1775  0.0      0.0    Mg    = 1.00
   3 0.0     0.0     0.0      0.0    Mg    = 0.97, Fe    = 0.03
   4 0.0     0.2599  0.5      0.0    Mg    = 0.72, Fe    = 0.28
   5 0.2846  0.0848  0.1733   0.0    Si    = 1.0 , Si    = 0.0 
   6 0.2934  0.1709  0.6703   0.0    Si    = 0.99, Si    = 0.01
   7 0.1128  0.0867  0.1666   0.0    O     = 1.00
   8 0.1214  0.1746  0.6699   0.0    O     = 1.00
   9 0.1128  0.0     0.6656   0.0    O     = 1.00
  10 0.1211  0.2526  0.1834   0.0    O     = 1.00
  11 0.3436  0.1199  0.433    0.0    O     = 1.00
  12 0.3489  0.1324  0.9374   0.0    O     = 1.00
  13 0.3414  0.0     0.1502   0.0    O     = 1.00
  14 0.225   0.0     0.682    0.0    H     = 1.00
  15 0.5     0.0     0.5      0.0    Na    = 0.05, Na    = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0872     0.5   
     2       2     0.0        0.1775     0.0   
     3       3     0.0        0.0        0.0   
     4       4     0.0        0.2599     0.5   
     5       5     0.2846     0.0848     0.1733
     6       6     0.2934     0.1709     0.6703
     7       7     0.1128     0.0867     0.1666
     8       8     0.1214     0.1746     0.6699
     9       9     0.1128     0.0        0.6656
    10      10     0.1211     0.2526     0.1834
    11      11     0.3436     0.1199     0.433 
    12      12     0.3489     0.1324     0.9374
    13      13     0.3414     0.0        0.1502
    14      14     0.225      0.0        0.682 
    15      15     0.5        0.0        0.5   
    16       1     0.0        0.9128     0.5   
    17       2     0.0        0.8225     0.0   
    18       4     0.0        0.7401     0.5   
    19       5     0.7154     0.9152     0.8267
    20       6     0.7066     0.8291     0.3297
    21       7     0.8872     0.9133     0.8334
    22       8     0.8786     0.8254     0.3301
    23       9     0.8872     0.0        0.3344
    24      10     0.8789     0.7473     0.8166
    25      11     0.6564     0.8801     0.567 
    26      12     0.6511     0.8676     0.0626
    27      13     0.6586     0.0        0.8498
    28      14     0.775      0.0        0.318 
    29       5     0.2846     0.9152     0.1733
    30       6     0.2934     0.8291     0.6703
    31       7     0.1128     0.9133     0.1666
    32       8     0.1214     0.8254     0.6699
    33      10     0.1211     0.7473     0.1834
    34      11     0.3436     0.8801     0.433 
    35      12     0.3489     0.8676     0.9374
    36       5     0.7154     0.0848     0.8267
    37       6     0.7066     0.1709     0.3297
    38       7     0.8872     0.0867     0.8334
    39       8     0.8786     0.1746     0.3301
    40      10     0.8789     0.2527     0.8166
    41      11     0.6564     0.1199     0.567 
    42      12     0.6511     0.1324     0.0626
    43       1     0.5        0.5872     0.0   
    44       2     0.5        0.6775     0.5   
    45       3     0.5        0.5        0.5   
    46       4     0.5        0.7599     0.0   
    47       5     0.2154     0.5848     0.6733
    48       6     0.2066     0.6709     0.1703
    49       7     0.3872     0.5867     0.6666
    50       8     0.3786     0.6746     0.1699
    51       9     0.3872     0.5        0.1656
    52      10     0.3789     0.7527     0.6834
    53      11     0.1564     0.6199     0.933 
    54      12     0.1511     0.6324     0.4374
    55      13     0.1586     0.5        0.6502
    56      14     0.275      0.5        0.182 
    57      15     0.0        0.5        0.0   
    58       1     0.5        0.4128     0.0   
    59       2     0.5        0.3225     0.5   
    60       4     0.5        0.2401     0.0   
    61       5     0.7846     0.4152     0.3267
    62       6     0.7934     0.3291     0.8297
    63       7     0.6128     0.4133     0.3334
    64       8     0.6214     0.3254     0.8301
    65       9     0.6128     0.5        0.8344
    66      10     0.6211     0.2473     0.3166
    67      11     0.8436     0.3801     0.067 
    68      12     0.8489     0.3676     0.5626
    69      13     0.8414     0.5        0.3498
    70      14     0.725      0.5        0.818 
    71       5     0.2154     0.4152     0.6733
    72       6     0.2066     0.3291     0.1703
    73       7     0.3872     0.4133     0.6666
    74       8     0.3786     0.3254     0.1699
    75      10     0.3789     0.2473     0.6834
    76      11     0.1564     0.3801     0.933 
    77      12     0.1511     0.3676     0.4374
    78       5     0.7846     0.5848     0.3267
    79       6     0.7934     0.6709     0.8297
    80       7     0.6128     0.5867     0.3334
    81       8     0.6214     0.6746     0.8301
    82      10     0.6211     0.7527     0.3166
    83      11     0.8436     0.6199     0.067 
    84      12     0.8489     0.6324     0.5626


X-ray density (g/cm cub.)   =      2.99

MU (1/cm) =     129.53     Mass attenuation coefficient (cm**2/g) =     43.359

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

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

    1   Mg   ,Fe             2.592        6
                                                 2.0615       7
                                                 2.1353       8
                                                 2.0819       9
                                                 2.0819       9
                                                 2.0615       7
                                                 2.1353       8
    2    Mg                  2.52         6
                                                 2.1324       7
                                                 2.0896       8
                                                 2.0123      10
                                                 2.1324       7
                                                 2.0896       8
                                                 2.0123      10
    3   Mg   ,Fe             2.592        6
                                                 2.0766       7
                                                 2.0661       9
                                                 2.0766       7
                                                 2.0661       9
                                                 2.0766       7
                                                 2.0766       7
    4   Mg   ,Fe             2.592        6
                                                 2.1075       8
                                                 2.0319      10
                                                 2.1075       8
                                                 2.0319      10
                                                 2.4156      12
                                                 2.4156      12
    5   Si   ,Si             2.1          4
                                                 1.6084       7
                                                 1.6132      11
                                                 1.6308      12
                                                 1.6157      13
    6   Si   ,Si             2.1          4
                                                 1.6107       8
                                                 1.6275      11
                                                 1.6609      12
                                                 1.5879      10
    7    O                   3.264       12
                                                 3.105        8
                                                 3.0749       8
                                                 3.0726       9
                                                 3.0818       9
                                                 2.9783      10
                                                 2.6494      11
                                                 2.6521      12
                                                 2.6453      13
                                                 2.7684       9
                                                 3.1085       7
                                                 2.7543       7
                                                 2.8356       8
    8    O                   3.264       11
                                                 3.0749       7
                                                 3.105        7
                                                 3.1325       9
                                                 3.0653      10
                                                 2.9384      10
                                                 2.6211      11
                                                 2.6686      12
                                                 2.8356       7
                                                 2.9008       8
                                                 2.7766      10
                                                 2.7403      10
    9    O                   3.264        9
                                                 3.0818       7
                                                 3.0726       7
                                                 3.1325       8
                                                 2.7684       7
                                                 2.7476       9
                                                 3.0818       7
                                                 3.0726       7
                                                 3.1325       8
                                                 2.7684       7
   10    O                   3.264        8
                                                 2.9783       7
                                                 2.9384       8
                                                 3.0653       8
                                                 2.7766       8
                                                 2.9883      10
                                                 2.7403       8
                                                 2.6652      11
                                                 2.4788      12
   11    O                   3.264        7
                                                 2.6494       7
                                                 2.6211       8
                                                 2.6891      12
                                                 2.6426      12
                                                 2.6223      13
                                                 3.0117      11
                                                 2.6652      10
   12    O                   3.264        7
                                                 2.6521       7
                                                 2.6686       8
                                                 2.6426      11
                                                 2.6891      11
                                                 2.631       13
                                                 2.9047      12
                                                 2.4788      10
   13    O                   3.264        6
                                                 2.6453       7
                                                 2.6223      11
                                                 2.631       12
                                                 2.6453       7
                                                 2.6223      11
                                                 2.631       12
   14    H                   1.632        1
                                                 1.0533       9
   15   Na   ,Na             2.808        6
                                                 2.6244      11
                                                 2.3778      13
                                                 2.6244      11
                                                 2.3778      13
                                                 2.6244      11
                                                 2.6244      11

  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   2   0  4.929   9.858   0.056  267.96    2       53.9      196.0
    2   1   1   0  5.329  10.657   0.06   228.92    4       63.3      461.7
    3   0   1   1  8.699  17.398   0.098   84.5     4       33.1       46.7
    4   1   3   0  8.797  17.594   0.099   82.58    4       25.8       27.7
    5   2   0   0  9.478  18.956   0.107   70.83    2       46.4       38.3
    6   1   0   1  9.599  19.199   0.108   69.0     4       34.2       40.6
    7   0   4   0  9.894  19.789   0.112   64.82    2       96.4      151.7
    8   1   1   1  9.916  19.832   0.112   64.53    8       46.8      142.4
    9   2   2   0 10.704  21.408   0.121   55.07    4       44.8       55.8
   10   1   2   1 10.812  21.625   0.122   53.93    8        9.4        4.8
   11   0   3   1 11.187  22.373   0.126   50.24    4       34.8       30.7
   12   1   3   1 12.167  24.333   0.137   42.15    8      108.7      502.1
   13   2   0   1 12.675  25.35    0.142   38.67    4       10.9        2.3
   14   2   1   1 12.92   25.84    0.145   37.15    8       10.8        4.4
   15   1   5   0 13.299  26.598   0.149   34.95    4       31.3       17.3
   16   2   2   1 13.63   27.259   0.153   33.17    8       82.9      229.6
   17   2   4   0 13.769  27.537   0.154   32.47    4      133.5      291.4
   18   1   4   1 13.854  27.708   0.155   32.04    8       22.2       15.9
   19   3   1   0 14.52   29.04    0.163   28.99    4      181.6      482.0
   20   2   3   1 14.742  29.484   0.165   28.07    8       63.9      115.5
   21   0   6   0 14.937  29.873   0.167   27.29    2       25.1        4.3
   22   0   5   1 15.02   30.041   0.168   26.97    4       10.0        1.3
   23   1   5   1 15.779  31.558   0.177   24.26    8      160.1      626.8
   24   3   3   0 16.177  32.354   0.181   22.99    4       98.7      112.8
   25   2   4   1 16.183  32.365   0.181   22.97    8        3.2        0.2
   26   3   0   1 16.644  33.289   0.186   21.61    4       24.9        6.7
   27   3   1   1 16.836  33.672   0.188   21.08    8       24.4       12.6
   28   0   0   2 16.86   33.72    0.188   21.02    2       14.3        1.1
   29   3   2   1 17.4    34.8     0.194   19.62    8       65.2       84.1
   30   1   0   2 17.547  35.094   0.196   19.26    4      183.8      327.9
   31   0   2   2 17.607  35.214   0.196   19.12    4       17.6        3.0
   32   1   1   2 17.73   35.461   0.198   18.83    8       23.3       10.3
   33   2   6   0 17.81   35.62    0.199   18.65    4       38.8       14.2
   34   1   6   1 17.878  35.756   0.199   18.49    8       76.8      109.8
   35   2   5   1 17.882  35.764   0.199   18.48    8      126.2      296.6
   36   1   7   0 18.166  36.333   0.202   17.85    4       30.9        8.6
   37   1   2   2 18.27   36.54    0.203   17.63    8        2.1        0.1
   38   3   3   1 18.306  36.612   0.204   17.56    8       27.1       13.0
   39   3   5   0 19.107  38.214   0.212   15.97    4       54.8       24.2
   40   1   3   2 19.14   38.28    0.213   15.91    8       13.9        3.1
   41   4   0   0 19.229  38.458   0.214   15.75    2        5.9        0.1
   42   2   0   2 19.483  38.965   0.216   15.3     4      185.8      266.1
   43   0   7   1 19.503  39.005   0.217   15.27    4       17.8        2.4
   44   3   4   1 19.513  39.026   0.217   15.25    8        3.8        0.2
   45   2   1   2 19.65   39.3     0.218   15.01    8       49.8       37.5
   46   0   4   2 19.701  39.402   0.219   14.93    4       12.4        1.1
   47   2   6   1 19.785  39.571   0.22    14.79    8       74.9       83.6
   48   4   2   0 19.899  39.798   0.221   14.6     4       10.0        0.7
   49   0   8   0 20.101  40.201   0.223   14.28    2       50.1        9.0
   50   1   7   1 20.112  40.224   0.223   14.26    8       99.6      142.4
   51   2   2   2 20.146  40.291   0.224   14.2     8       28.2       11.4
   52   1   4   2 20.305  40.611   0.225   13.96    8       22.6        7.2
   53   2   3   2 20.95   41.9     0.232   13.02    8       41.2       22.3
   54   3   5   1 20.979  41.957   0.232   12.98    8       14.4        2.7
   55   4   0   1 21.091  42.183   0.234   12.82    4       13.9        1.3
   56   4   1   1 21.248  42.497   0.235   12.61    8        8.9        1.0
   57   4   2   1 21.714  43.428   0.24    12.01    8       68.5       56.8
   58   1   5   2 21.727  43.453   0.24    12.0     8       16.5        3.3
   59   4   4   0 21.807  43.613   0.241   11.9     4       15.7        1.5
   60   2   7   1 21.855  43.709   0.242   11.84    8       50.5       30.4
   61   2   4   2 22.036  44.071   0.244   11.62    8       19.7        4.5
   62   3   0   2 22.393  44.786   0.247   11.21    4       11.7        0.8
   63   2   8   0 22.401  44.802   0.247   11.2     4       52.2       15.4
   64   1   8   1 22.457  44.914   0.248   11.13    8       38.6       16.8
   65   4   3   1 22.472  44.945   0.248   11.12    8       16.2        2.9
   66   3   1   2 22.543  45.086   0.249   11.04    8       72.1       57.9
   67   3   6   1 22.664  45.328   0.25    10.91    8      140.9      218.3
   68   0   6   2 22.831  45.662   0.252   10.73    4       11.5        0.7
   69   3   7   0 22.902  45.804   0.253   10.65    4       60.6       19.7
   70   3   2   2 22.987  45.975   0.253   10.56    8        6.6        0.5
   71   1   9   0 23.284  46.569   0.257   10.26    4       54.0       15.1
   72   1   6   2 23.369  46.738   0.257   10.18    8        6.2        0.4
   73   2   5   2 23.372  46.744   0.258   10.17    8       40.9       17.2
   74   4   4   1 23.502  47.004   0.259   10.05    8        0.6        0.0
   75   3   3   2 23.714  47.428   0.261    9.84    8       30.7        9.4
   76   2   8   1 24.063  48.126   0.265    9.52    8        7.1        0.5
   77   0   9   1 24.389  48.778   0.268    9.24    4       41.0        7.8
   78   5   1   0 24.451  48.902   0.269    9.18    4      100.2       46.5
   79   3   7   1 24.538  49.076   0.27     9.11    8       21.3        4.2
   80   3   4   2 24.703  49.407   0.271    8.97    8       66.3       39.7
   81   4   6   0 24.722  49.444   0.271    8.96    4       33.1        5.0
   82   4   5   1 24.777  49.554   0.272    8.91    8       79.7       57.0
   83   1   9   1 24.901  49.803   0.273    8.81    8       90.7       73.0
   84   2   6   2 24.93   49.86    0.274    8.79    8       24.2        5.2
   85   1   7   2 25.203  50.405   0.276    8.57    8       12.0        1.2
   86   0  10   0 25.441  50.882   0.279    8.39    2       54.1        6.2
   87   5   3   0 25.555  51.111   0.28     8.3     4       73.3       22.5
   88   5   0   1 25.879  51.758   0.283    8.07    4       24.3        2.4
   89   0   1   3 25.923  51.846   0.284    8.04    4       32.0        4.1
   90   3   5   2 25.934  51.869   0.284    8.03    8       30.5        7.5
   91   5   1   1 26.014  52.027   0.285    7.97    8        7.7        0.5
   92   4   0   2 26.03   52.061   0.285    7.96    4      111.2       49.6
   93   4   1   2 26.164  52.328   0.286    7.87    8       63.9       32.3
   94   4   6   1 26.273  52.545   0.287    7.8     8      112.0       98.6
   95   1   0   3 26.281  52.562   0.287    7.79    4       32.8        4.2
   96   2   9   1 26.395  52.789   0.289    7.71    8       22.6        4.0
   97   1   1   3 26.414  52.827   0.289    7.7     8        2.8        0.1
   98   5   2   1 26.414  52.828   0.289    7.7     8        6.9        0.4
   99   4   2   2 26.563  53.126   0.29     7.6     8       45.0       15.5
  100   3   8   1 26.576  53.152   0.29     7.6     8       29.0        6.4
  101   2   7   2 26.684  53.368   0.291    7.53    8       28.1        6.0
  102   0   8   2 26.724  53.448   0.292    7.5     4       84.0       26.7
  103   1   2   3 26.81   53.619   0.293    7.45    8       60.0       27.0
  104   0   3   3 26.984  53.967   0.295    7.34    4      120.7       53.9
  105   5   3   1 27.072  54.143   0.295    7.28    8       16.8        2.1
  106   1   8   2 27.205  54.409   0.297    7.2     8       80.4       46.9
  107   4   3   2 27.218  54.436   0.297    7.19    8       16.5        2.0
  108   3   9   0 27.309  54.619   0.298    7.14    4        2.1        0.0
  109   3   6   2 27.385  54.77    0.299    7.09    8        4.1        0.1
  110   2  10   0 27.391  54.783   0.299    7.09    4       13.4        0.6
  111   1  10   1 27.44   54.88    0.299    7.06    8       26.0        4.8
  112   1   3   3 27.461  54.922   0.299    7.05    8        1.6        0.0
  113   5   5   0 27.668  55.336   0.301    6.93    4        9.3        0.3
  114   2   0   3 27.721  55.442   0.302    6.9     4       12.0        0.5
  115   2   1   3 27.849  55.699   0.303    6.83    8       33.4        7.7
  116   4   7   1 27.967  55.934   0.304    6.76    8        6.0        0.2
  117   5   4   1 27.975  55.949   0.304    6.76    8       15.2        1.6
  118   4   4   2 28.118  56.236   0.306    6.68    8       99.0       66.0
  119   2   2   3 28.232  56.463   0.307    6.62    8        2.7        0.0
  120   1   4   3 28.356  56.711   0.308    6.56    8        4.6        0.1
  121   4   8   0 28.424  56.849   0.309    6.52    4       91.9       27.7
  122   2   8   2 28.613  57.227   0.311    6.42    8       34.6        7.7
  123   1  11   0 28.663  57.327   0.311    6.4     4      147.7       70.3
  124   3   9   1 28.762  57.523   0.312    6.35    8       30.7        6.0
  125   2  10   1 28.841  57.682   0.313    6.31    8       66.5       28.1
  126   2   3   3 28.861  57.723   0.313    6.3     8       42.7       11.6
  127   0   5   3 29.024  58.049   0.315    6.22    4      233.3      170.5
  128   3   7   2 29.035  58.07    0.315    6.21    8       46.1       13.3
  129   5   5   1 29.108  58.217   0.316    6.18    8       12.3        0.9
  130   4   5   2 29.248  58.496   0.317    6.11    8       22.6        3.1
  131   1   9   2 29.359  58.718   0.318    6.06    8       39.1        9.3
  132   1   5   3 29.48   58.96    0.319    6.0     8        7.6        0.4
  133   6   0   0 29.605  59.21    0.321    5.95    2      139.6       29.2
  134   0  11   1 29.623  59.246   0.321    5.94    4       16.7        0.8
  135   2   4   3 29.729  59.457   0.322    5.89    8       15.2        1.4
  136   4   8   1 29.841  59.683   0.323    5.84    8       24.9        3.7
  137   3   0   3 30.018  60.037   0.325    5.77    4       20.3        1.2
  138   1  11   1 30.073  60.146   0.325    5.74    8       20.7        2.5
  139   6   2   0 30.095  60.19    0.325    5.73    4       29.4        2.5
  140   3   1   3 30.14   60.281   0.326    5.71    8        3.6        0.1
  141   5   0   2 30.238  60.475   0.327    5.67    4       21.5        1.3
  142   5   1   2 30.359  60.718   0.328    5.62    8      116.7       77.1
  143   5   6   1 30.457  60.915   0.329    5.58    8      200.9      227.1
  144   3   2   3 30.504  61.009   0.329    5.56    8       47.9       12.9
  145   4   6   2 30.593  61.187   0.33     5.53    8       25.3        3.6
  146   5   7   0 30.651  61.303   0.331    5.5     4       29.4        2.4
  147   2   9   2 30.704  61.408   0.331    5.48    8       30.0        5.0
  148   5   2   2 30.721  61.443   0.332    5.48    8        5.2        0.1
  149   1   6   3 30.819  61.638   0.333    5.44    8      154.5      130.8
  150   2   5   3 30.822  61.643   0.333    5.44    8        0.0        0.0
  151   3   8   2 30.868  61.737   0.333    5.42    8       40.2        8.8
  152   6   0   1 30.988  61.976   0.334    5.37    4       10.2        0.3
  153   0  12   0 31.031  62.062   0.335    5.36    2      277.1      103.6
  154   3  10   1 31.086  62.171   0.335    5.33    8       40.6        8.9
  155   3   3   3 31.105  62.211   0.335    5.33    8        4.2        0.1
  156   6   1   1 31.108  62.216   0.335    5.33    8        0.5        0.0
  157   0  10   2 31.22   62.44    0.336    5.28    4        8.1        0.2
  158   5   3   2 31.32   62.64    0.337    5.25    8       46.1       11.3
  159   2  11   1 31.4    62.799   0.338    5.22    8       14.0        1.0
  160   6   2   1 31.465  62.93    0.339    5.19    8       41.6        9.0
  161   6   4   0 31.537  63.074   0.34     5.17    4        5.6        0.1
  162   1  10   2 31.656  63.313   0.341    5.13    8       35.2        6.4
  163   4   9   1 31.883  63.766   0.343    5.05    8       15.6        1.2
  164   0   7   3 31.928  63.857   0.343    5.03    4      127.6       41.3
  165   3   4   3 31.936  63.871   0.343    5.03    8       16.9        1.4
  166   5   7   1 32.008  64.016   0.344    5.0     8       20.6        2.1
  167   6   3   1 32.056  64.112   0.345    4.99    8        8.4        0.4
  168   2   6   3 32.128  64.255   0.345    4.96    8       12.5        0.8
  169   4   7   2 32.14   64.28    0.345    4.96    8       28.7        4.1
  170   5   4   2 32.147  64.294   0.345    4.96    8       78.6       30.8
  171   3  11   0 32.222  64.445   0.346    4.93    4       94.8       22.3
  172   1   7   3 32.36   64.719   0.347    4.89    8        3.9        0.1
  173   2  12   0 32.763  65.526   0.351    4.76    4        1.5        0.0
  174   4  10   0 32.773  65.545   0.351    4.75    4       18.4        0.8
  175   1  12   1 32.806  65.613   0.352    4.74    8       18.0        1.6
  176   6   4   1 32.873  65.746   0.352    4.72    8        0.9        0.0
  177   3   9   2 32.873  65.746   0.352    4.72    8       13.7        0.9
  178   2  10   2 32.946  65.893   0.353    4.7     8       23.0        2.5
  179   3   5   3 32.986  65.973   0.353    4.69    8        6.1        0.2
  180   4   0   3 33.069  66.138   0.354    4.66    4        3.3        0.0
  181   4   1   3 33.185  66.369   0.355    4.63    8       12.5        0.7
  182   5   5   2 33.194  66.389   0.355    4.63    8        4.7        0.1
  183   4   2   3 33.53   67.06    0.359    4.53    8        1.3        0.0
  184   3  11   1 33.544  67.088   0.359    4.53    8       11.6        0.6
  185   2   7   3 33.635  67.27    0.36     4.5     8       34.6        5.4
  186   5   8   1 33.748  67.495   0.361    4.47    8       44.6        9.0
  187   6   6   0 33.863  67.727   0.362    4.44    4       20.2        0.9
  188   4   8   2 33.876  67.752   0.362    4.43    8       17.0        1.3
  189   6   5   1 33.909  67.817   0.362    4.42    8      101.9       46.3
  190   2  12   1 34.074  68.147   0.364    4.38    8       10.3        0.5
  191   4  10   1 34.083  68.166   0.364    4.38    8       49.8       10.9
  192   1   8   3 34.09   68.18    0.364    4.37    8       36.3        5.8
  193   1  11   2 34.093  68.185   0.364    4.37    8       92.9       38.0
  194   4   3   3 34.102  68.203   0.364    4.37    8       19.8        1.7
  195   3   6   3 34.248  68.496   0.365    4.33    8      118.3       61.1
  196   1  13   0 34.367  68.735   0.366    4.3     4       10.8        0.3
  197   5   9   0 34.386  68.772   0.367    4.3     4       30.4        2.0
  198   5   6   2 34.452  68.904   0.367    4.28    8       20.2        1.8
  199   4   4   3 34.895  69.789   0.371    4.17    8        0.5        0.0
  200   6   0   2 34.95   69.9     0.372    4.16    4      151.9       48.3
  201   3  10   2 35.042  70.083   0.373    4.13    8        4.1        0.1
  202   6   1   2 35.063  70.125   0.373    4.13    8      112.9       53.0
  203   6   6   1 35.154  70.308   0.374    4.11    8      182.6      138.0
  204   0  13   1 35.239  70.477   0.375    4.09    4       55.5        6.3
  205   7   1   0 35.307  70.613   0.375    4.07    4       99.2       20.2
  206   2   8   3 35.335  70.669   0.375    4.07    8       14.0        0.8
  207   2  11   2 35.337  70.674   0.375    4.07    8       19.0        1.5
  208   6   2   2 35.399  70.798   0.376    4.05    8       20.0        1.6
  209   0   0   4 35.455  70.91    0.377    4.04    2        7.3        0.1
  210   0   9   3 35.593  71.185   0.378    4.01    4       87.9       15.6
  211   1  13   1 35.65   71.299   0.378    4.0     8       36.2        5.3
  212   5   9   1 35.668  71.336   0.378    3.99    8       11.2        0.5
  213   3   7   3 35.711  71.422   0.379    3.98    8       10.0        0.4
  214   4   9   2 35.793  71.587   0.38     3.96    8       45.9        8.4
  215   1   0   4 35.865  71.73    0.38     3.95    4      215.1       92.0
  216   0   2   4 35.901  71.803   0.381    3.94    4       34.1        2.3
  217   4   5   3 35.902  71.805   0.381    3.94    8       74.0       21.8
  218   5   7   2 35.912  71.823   0.381    3.94    8        9.0        0.3
  219   6   3   2 35.957  71.914   0.381    3.93    8       81.1       26.1
  220   1   1   4 35.976  71.953   0.381    3.92    8       42.5        7.1
  221   1   9   3 36.002  72.004   0.382    3.92    8        9.7        0.4
  222   3  12   1 36.138  72.276   0.383    3.89    8       15.0        0.9
  223   7   3   0 36.199  72.397   0.383    3.88    4       57.0        6.4
  224   0  12   2 36.263  72.526   0.384    3.86    4       65.8        8.4
  225   1   2   4 36.309  72.619   0.384    3.86    8        8.7        0.3
  226   4  11   1 36.439  72.878   0.386    3.83    8        6.8        0.2
  227   7   0   1 36.464  72.928   0.386    3.82    4       27.4        1.4
  228   7   1   1 36.575  73.149   0.387    3.8     8        0.9        0.0
  229   6   7   1 36.601  73.203   0.387    3.8     8       46.8        8.4
  230   1  12   2 36.669  73.338   0.388    3.78    8      178.7      121.8
  231   6   4   2 36.732  73.465   0.388    3.77    8       11.8        0.5
  232   5   0   3 36.795  73.59    0.389    3.76    4       10.1        0.2
  233   1   3   4 36.862  73.723   0.389    3.75    8        7.7        0.2
  234   2  13   1 36.871  73.743   0.389    3.74    8       15.3        0.9
  235   5   1   3 36.905  73.811   0.39     3.74    8        8.1        0.2
  236   7   2   1 36.905  73.811   0.39     3.74    8       43.4        7.1
  237   0  14   0 36.972  73.943   0.39     3.73    2       65.1        4.0
  238   6   8   0 36.999  73.998   0.391    3.72    4       66.9        8.4
  239   2   0   4 37.084  74.168   0.391    3.7     4      142.0       37.6
  240   4   6   3 37.118  74.237   0.392    3.7     8        5.8        0.1
  241   2   1   4 37.194  74.388   0.392    3.68    8       34.6        4.4
  242   2   9   3 37.219  74.438   0.393    3.68    8       63.9       15.1
  243   0   4   4 37.227  74.455   0.393    3.68    4       39.6        2.9
  244   5   2   3 37.235  74.47    0.393    3.68    8       72.2       19.3
  245   3   8   3 37.369  74.738   0.394    3.65    8       36.7        4.9
  246   3  11   2 37.372  74.743   0.394    3.65    8       39.8        5.8
  247   7   3   1 37.454  74.909   0.395    3.64    8       16.7        1.0
  248   2   2   4 37.523  75.045   0.395    3.63    8       22.4        1.8
  249   5   8   2 37.566  75.132   0.396    3.62    8        3.8        0.1
  250   1   4   4 37.63   75.259   0.396    3.61    8       72.7       19.2
  251   3  13   0 37.636  75.273   0.396    3.61    4        8.9        0.1
  252   4  12   0 37.714  75.429   0.397    3.59    4       91.3       15.1
  253   6   5   2 37.72   75.44    0.397    3.59    8       21.0        1.6
  254   5  10   1 37.764  75.529   0.398    3.58    8       10.0        0.4
  255   5   3   3 37.782  75.565   0.398    3.58    8        6.5        0.2
  256   2  12   2 37.878  75.756   0.399    3.56    8      145.7       76.2
  257   4  10   2 37.887  75.774   0.399    3.56    8        2.0        0.0
  258   7   5   0 37.957  75.915   0.399    3.55    4        4.1        0.0
  259   2   3   4 38.068  76.137   0.4      3.53    8       43.5        6.7
  260   1  10   3 38.091  76.183   0.4      3.53    8       60.6       13.1
  261   7   4   1 38.218  76.437   0.402    3.51    8       11.1        0.4
  262   6   8   1 38.245  76.49    0.402    3.5     8       34.5        4.2
  263   4   7   3 38.537  77.075   0.404    3.46    8       33.8        4.0
  264   5   4   3 38.544  77.088   0.404    3.46    8       10.8        0.4
  265   2  14   0 38.576  77.153   0.405    3.45    4       14.4        0.4
  266   1   5   4 38.61   77.219   0.405    3.45    8        0.6        0.0
  267   1  14   1 38.617  77.234   0.405    3.45    8       22.4        1.7
  268   5  11   0 38.809  77.617   0.407    3.42    4       60.8        6.4
  269   2   4   4 38.828  77.657   0.407    3.41    8        7.9        0.2
  270   3  13   1 38.876  77.751   0.407    3.41    8       24.4        2.0
  271   6   6   2 38.916  77.832   0.408    3.4     8       35.2        4.3
  272   4  12   1 38.953  77.906   0.408    3.4     8        5.6        0.1
  273   3   0   4 39.084  78.169   0.409    3.38    4        8.4        0.1
  274   3   1   4 39.192  78.385   0.41     3.36    8       24.0        1.9
  275   7   5   1 39.193  78.387   0.41     3.36    8       36.9        4.6
  276   3   9   3 39.217  78.435   0.41     3.36    8        4.8        0.1
  277   2  10   3 39.286  78.571   0.411    3.35    8        9.9        0.3
  278   1  13   2 39.394  78.787   0.412    3.33    8        9.4        0.3
  279   0   6   4 39.401  78.803   0.412    3.33    4       33.2        1.8
  280   5   9   2 39.411  78.823   0.412    3.33    8       52.9        9.4
  281   3   2   4 39.516  79.032   0.413    3.32    8       11.7        0.5
  282   5   5   3 39.517  79.034   0.413    3.32    8        5.7        0.1
  283   1   6   4 39.797  79.594   0.415    3.28    8        3.5        0.0
  284   2   5   4 39.799  79.598   0.415    3.28    8       31.1        3.2
  285   2  14   1 39.806  79.613   0.416    3.28    8       36.0        4.3
  286   3  12   2 39.866  79.732   0.416    3.27    8       11.0        0.4
  287   0  11   3 39.964  79.929   0.417    3.26    4       29.3        1.4
  288   5  11   1 40.037  80.074   0.418    3.25    8        5.1        0.1
  289   3   3   4 40.053  80.107   0.418    3.25    8        1.0        0.0
  290   6   9   1 40.081  80.161   0.418    3.24    8        0.6        0.0
  291   4   8   3 40.155  80.31    0.419    3.24    8        4.7        0.1
  292   4  11   2 40.157  80.315   0.419    3.24    8       98.9       31.9
  293   7   0   2 40.182  80.364   0.419    3.23    4       54.1        4.8
  294   7   1   2 40.289  80.578   0.42     3.22    8       23.9        1.9
  295   6   7   2 40.315  80.63    0.42     3.22    8       14.1        0.6
  296   1  11   3 40.358  80.717   0.42     3.21    8        8.5        0.2
  297   7   6   1 40.376  80.752   0.42     3.21    8        6.7        0.1
  298   1  15   0 40.513  81.025   0.422    3.19    4        3.4        0.0
  299   7   7   0 40.548  81.096   0.422    3.19    4       59.6        5.7
  300   2  13   2 40.577  81.154   0.422    3.19    8       30.3        2.9
  301   7   2   2 40.61   81.22    0.423    3.18    8        1.2        0.0
  302   5   6   3 40.697  81.394   0.423    3.17    8       80.7       20.8
  303   3   4   4 40.803  81.606   0.424    3.16    8       38.0        4.6
  304   6  10   0 40.895  81.79    0.425    3.15    4        0.8        0.0
  305   2   6   4 40.978  81.955   0.426    3.14    8       11.9        0.4
  306   7   3   2 41.144  82.289   0.427    3.12    8       50.8        8.1
  307   6   0   3 41.168  82.336   0.427    3.12    4        6.4        0.1
  308   1   7   4 41.189  82.378   0.427    3.12    8       12.2        0.5
  309   8   0   0 41.2    82.4     0.428    3.12    2      126.6       12.6
  310   3  10   3 41.255  82.51    0.428    3.11    8       34.5        3.7
  311   6   1   3 41.275  82.549   0.428    3.11    8        9.7        0.3
  312   0  15   1 41.338  82.675   0.429    3.1     4       27.1        1.1
  313   5  10   2 41.447  82.893   0.43     3.09    8        0.3        0.0
  314   2  11   3 41.535  83.071   0.43     3.08    8        7.5        0.2
  315   6   2   3 41.594  83.189   0.431    3.08    8        2.3        0.0
  316   8   2   0 41.626  83.253   0.431    3.07    4       26.8        1.1
  317   4  13   1 41.633  83.267   0.431    3.07    8        4.0        0.1
  318   1  15   1 41.729  83.458   0.432    3.06    8       43.1        5.7
  319   3   5   4 41.763  83.526   0.432    3.06    8        6.7        0.1
  320   7   7   1 41.764  83.528   0.432    3.06    8       27.5        2.3
  321   3  14   1 41.77   83.54    0.432    3.06    8       54.3        9.1
  322   4   0   4 41.839  83.678   0.433    3.05    4      103.4       16.5
  323   0  14   2 41.89   83.78    0.433    3.05    4        2.5        0.0
  324   7   4   2 41.89   83.78    0.433    3.05    8        8.7        0.2
  325   6   8   2 41.916  83.832   0.434    3.05    8       32.5        3.2
  326   4   1   4 41.945  83.891   0.434    3.04    8       91.2       25.5
  327   4   9   3 41.97   83.94    0.434    3.04    8        6.1        0.1
  328   5   7   3 42.083  84.166   0.435    3.03    8        7.7        0.2
  329   6  10   1 42.109  84.218   0.435    3.03    8       18.9        1.1
  330   6   3   3 42.126  84.253   0.435    3.03    8       34.1        3.5
  331   4   2   4 42.264  84.528   0.437    3.01    8       12.5        0.5
  332   1  14   2 42.28   84.56    0.437    3.01    8       25.3        1.9
  333   2   7   4 42.362  84.723   0.437    3.01    8       25.0        1.9
  334   0   8   4 42.394  84.788   0.438    3.0     4       27.3        1.1
  335   8   0   1 42.413  84.825   0.438    3.0     4        6.4        0.1
  336   5  12   1 42.49   84.981   0.438    3.0     8       24.1        1.8
  337   8   1   1 42.519  85.037   0.439    2.99    8        7.9        0.2
  338   3  13   2 42.534  85.068   0.439    2.99    8       37.5        4.2
  339   4  12   2 42.61   85.219   0.439    2.99    8      101.0       30.7
  340   1   8   4 42.784  85.568   0.441    2.97    8        9.9        0.3
  341   4   3   4 42.795  85.59    0.441    2.97    8       61.9       11.5
  342   1  12   3 42.808  85.617   0.441    2.97    8       21.8        1.4
  343   8   2   1 42.837  85.674   0.441    2.97    8       38.7        4.5
  344   7   5   2 42.846  85.692   0.441    2.97    8       26.5        2.1
  345   6   4   3 42.869  85.739   0.442    2.96    8        9.6        0.3
  346   2  15   1 42.899  85.799   0.442    2.96    8       41.8        5.2
  347   8   4   0 42.901  85.802   0.442    2.96    4       46.9        3.3
  348   3   6   4 42.931  85.862   0.442    2.96    8        1.4        0.0
  349   4  14   0 43.29   86.58    0.445    2.93    4       16.4        0.4
  350   7   8   1 43.356  86.712   0.446    2.93    8       19.2        1.1
  351   8   3   1 43.367  86.734   0.446    2.93    8       29.9        2.6
  352   0  16   0 43.42   86.839   0.446    2.92    2       49.2        1.8
  353   2  14   2 43.449  86.898   0.446    2.92    8       33.7        3.3
  354   3  11   3 43.485  86.971   0.447    2.92    8        7.2        0.2
  355   4   4   4 43.536  87.073   0.447    2.91    8       35.4        3.7
  356   3  15   0 43.638  87.276   0.448    2.91    4       14.1        0.3
  357   5   8   3 43.673  87.347   0.448    2.91    8        5.9        0.1
  358   5  11   2 43.676  87.352   0.448    2.91    8      149.3       65.3
  359   6   9   2 43.719  87.438   0.449    2.9     8       44.0        5.7
  360   6   5   3 43.823  87.645   0.449    2.9     8       24.5        1.7
  361   5  13   0 43.932  87.863   0.45     2.89    4       67.7        6.7
  362   7   9   0 43.949  87.898   0.45     2.89    4      105.5       16.2
  363   2   8   4 43.951  87.902   0.451    2.89    8        6.3        0.1
  364   2  12   3 43.976  87.951   0.451    2.89    8        6.0        0.1
  365   4  10   3 43.984  87.969   0.451    2.89    8        9.0        0.2
  366   7   6   2 44.011  88.021   0.451    2.88    8       31.8        2.9
  367   8   4   1 44.108  88.215   0.452    2.88    8       10.4        0.3
  368   3   7   4 44.307  88.615   0.453    2.87    8        1.0        0.0
  369   6  11   1 44.334  88.668   0.454    2.86    8       18.8        1.0
  370   4   5   4 44.489  88.977   0.455    2.86    8       23.8        1.6
  371   4  14   1 44.496  88.992   0.455    2.85    8       47.5        6.5
  372   1   9   4 44.584  89.167   0.456    2.85    8       17.4        0.9
  373   3  15   1 44.843  89.687   0.458    2.84    8       23.9        1.6
  374   2  16   0 44.974  89.948   0.459    2.83    4       40.9        2.4
  375   6   6   3 44.986  89.972   0.459    2.83    8       21.1        1.3


  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   0   2   0   4.929   9.858  8.9654       196.0     31.3     31.7     5.6
    2   1   1   0   5.329  10.657  8.29425      461.7     73.7     74.7     5.6
    3   0   1   1   8.699  17.398  5.09293       46.7      7.5      7.5     5.6
    4   1   3   0   8.797  17.594  5.03676       27.7      4.4      4.5     5.6
    5   2   0   0   9.478  18.956  4.67765       38.3      6.1      6.2     5.6
    6   1   0   1   9.599  19.199  4.6191        40.6      6.5      6.5     5.6
    7   0   4   0   9.894  19.789  4.4827       294.2     46.9     47.4     5.6
    8   2   2   0  10.704  21.408  4.14712       55.8      8.9      9.0     5.6
    9   0   3   1  11.187  22.373  3.97039       30.7      4.9      4.9     5.6
   10   1   3   1  12.167  24.333  3.65486      502.1     80.1     80.6     5.6
   11   1   5   0  13.299  26.598  3.34857       17.3      2.8      2.8     5.6
   12   2   2   1  13.63   27.259  3.26882      229.6     36.6     36.8     5.6
   13   2   4   0  13.769  27.537  3.23647      291.4     46.5     46.6     5.6
   14   1   4   1  13.854  27.708  3.21689       15.9      2.5      2.5     5.6
   15   3   1   0  14.52   29.04   3.07232      482.0     76.9     77.1     5.6
   16   2   3   1  14.742  29.484  3.02699      115.5     18.4     18.5     5.6
   17   1   5   1  15.779  31.558  2.83267      626.8    100.0    100.0     5.6
   18   3   3   0  16.177  32.354  2.76475      113.0     18.0     18.0     5.6
   19   3   0   1  16.644  33.289  2.68923        6.7      1.1      1.1     5.6
   20   3   1   1  16.836  33.672  2.65949       13.7      2.2      2.2     5.7
   21   3   2   1  17.4    34.8    2.57585       84.1     13.4     13.4     5.7
   22   1   0   2  17.547  35.094  2.55489      327.9     52.3     52.2     5.7
   23   1   1   2  17.73   35.461  2.52935       10.3      1.6      1.6     5.7
   24   2   6   0  17.81   35.62   2.51838       14.2      2.3      2.3     5.7
   25   2   5   1  17.882  35.764  2.50861      406.4     64.8     64.6     5.7
   26   1   7   0  18.166  36.333  2.47061        8.6      1.4      1.4     5.7
   27   3   3   1  18.306  36.612  2.45243       13.0      2.1      2.1     5.7
   28   3   5   0  19.107  38.214  2.35318       24.2      3.9      3.8     5.7
   29   2   0   2  19.483  38.965  2.30955      268.6     42.8     42.6     5.7
   30   2   1   2  19.65   39.3    2.29063       37.5      6.0      5.9     5.7
   31   2   6   1  19.785  39.571  2.27557       83.6     13.3     13.2     5.7
   32   1   7   1  20.112  40.224  2.24014      151.4     24.2     24.0     5.7
   33   2   2   2  20.146  40.291  2.23653       11.4      1.8      1.8     5.7
   34   1   4   2  20.305  40.611  2.21969        7.2      1.1      1.1     5.7
   35   2   3   2  20.95   41.9    2.15431       22.3      3.6      3.5     5.7
   36   4   2   1  21.714  43.428  2.082         60.1      9.6      9.5     5.7
   37   2   7   1  21.855  43.709  2.06923       30.4      4.8      4.8     5.7
   38   2   8   0  22.401  44.802  2.02129       15.4      2.5      2.4     5.7
   39   1   8   1  22.457  44.914  2.01649       19.7      3.1      3.1     5.7
   40   3   1   2  22.543  45.086  2.0092        57.9      9.2      9.1     5.7
   41   3   6   1  22.664  45.328  1.99902      218.3     34.8     34.4     5.7
   42   3   7   0  22.902  45.804  1.97938       19.7      3.1      3.1     5.7
   43   1   9   0  23.284  46.569  1.94861       15.1      2.4      2.4     5.7
   44   2   5   2  23.372  46.744  1.94172       17.2      2.7      2.7     5.7
   45   3   3   2  23.714  47.428  1.91531        9.4      1.5      1.5     5.7
   46   0   9   1  24.389  48.778  1.86541        7.8      1.2      1.2     5.7
   47   5   1   0  24.451  48.902  1.86096       46.5      7.4      7.3     5.7
   48   3   4   2  24.703  49.407  1.84312       44.7      7.1      7.0     5.7
   49   4   5   1  24.777  49.554  1.838         57.0      9.1      8.9     5.7
   50   1   9   1  24.901  49.803  1.8294        78.1     12.5     12.2     5.7
   51   5   3   0  25.555  51.111  1.78561       22.5      3.6      3.5     5.8
   52   3   5   2  25.934  51.869  1.76128       11.6      1.9      1.8     5.8
   53   4   0   2  26.03   52.061  1.75524       49.6      7.9      7.7     5.8
   54   4   1   2  26.164  52.328  1.74689       32.3      5.2      5.0     5.8
   55   4   6   1  26.273  52.545  1.74018      102.8     16.4     16.1     5.8
   56   4   2   2  26.563  53.126  1.72254       21.9      3.5      3.4     5.8
   57   0   8   2  26.724  53.448  1.71289       26.7      4.3      4.2     5.8
   58   1   2   3  26.81   53.619  1.70783       27.0      4.3      4.2     5.8
   59   0   3   3  26.984  53.967  1.69765       53.9      8.6      8.4     5.8
   60   1   8   2  27.205  54.409  1.68488       48.9      7.8      7.6     5.8
   61   2   1   3  27.849  55.699  1.64889        7.7      1.2      1.2     5.8
   62   4   4   2  28.118  56.236  1.63441       66.0     10.5     10.2     5.8
   63   4   8   0  28.424  56.849  1.61824       27.7      4.4      4.3     5.8
   64   2   8   2  28.613  57.227  1.60844        7.7      1.2      1.2     5.8
   65   1  11   0  28.663  57.327  1.60588       70.3     11.2     10.9     5.8
   66   2  10   1  28.841  57.682  1.59684       39.7      6.3      6.2     5.8
   67   0   5   3  29.024  58.049  1.58761      183.8     29.3     28.5     5.8
   68   1   9   2  29.359  58.718  1.57109        9.3      1.5      1.4     5.8
   69   6   0   0  29.605  59.21   1.55922       30.0      4.8      4.6     5.8
   70   5   1   2  30.359  60.718  1.52405       77.1     12.3     11.9     5.8
   71   5   6   1  30.457  60.915  1.51959      227.1     36.2     35.0     5.8
   72   3   2   3  30.504  61.009  1.51748       12.9      2.1      2.0     5.8
   73   1   6   3  30.819  61.638  1.50349      130.8     20.9     20.2     5.8
   74   3   8   2  30.868  61.737  1.50132        8.8      1.4      1.4     5.8
   75   0  12   0  31.031  62.062  1.49423      103.6     16.5     16.0     5.8
   76   3  10   1  31.086  62.171  1.49187        9.0      1.4      1.4     5.8
   77   5   3   2  31.32   62.64   1.48183       11.3      1.8      1.7     5.8
   78   6   2   1  31.465  62.93   1.47569        9.0      1.4      1.4     5.9
   79   1  10   2  31.656  63.313  1.46769        6.4      1.0      1.0     5.9
   80   0   7   3  31.928  63.857  1.45649       42.7      6.8      6.6     5.9
   81   5   4   2  32.147  64.294  1.44763       34.9      5.6      5.4     5.9
   82   3  11   0  32.222  64.445  1.44462       22.3      3.6      3.4     5.9
   83   5   8   1  33.748  67.495  1.38656        9.0      1.4      1.4     5.9
   84   6   5   1  33.909  67.817  1.38075       46.3      7.4      7.1     5.9
   85   1  11   2  34.093  68.185  1.3742        56.5      9.0      8.6     5.9
   86   3   6   3  34.248  68.496  1.36872       61.1      9.7      9.3     5.9
   87   6   0   2  34.95   69.9    1.34462       48.3      7.7      7.3     5.9
   88   6   1   2  35.063  70.125  1.34085       53.0      8.5      8.1     5.9
   89   6   6   1  35.154  70.308  1.33781      138.0     22.0     21.0     5.9
   90   0  13   1  35.239  70.477  1.33502        6.3      1.0      1.0     5.9
   91   7   1   0  35.307  70.613  1.33277       21.0      3.3      3.2     5.9
   92   0   9   3  35.593  71.185  1.32346       15.6      2.5      2.4     5.9
   93   4   9   2  35.793  71.587  1.31702        8.4      1.3      1.3     5.9
   94   1   0   4  35.865  71.73   1.31475       92.0     14.7     13.9     5.9
   95   4   5   3  35.902  71.805  1.31356       24.4      3.9      3.7     5.9
   96   6   3   2  35.957  71.914  1.31183       33.2      5.3      5.0     5.9
   97   7   3   0  36.199  72.397  1.30426        6.4      1.0      1.0     5.9
   98   0  12   2  36.263  72.526  1.30227        8.4      1.3      1.3     5.9
   99   6   7   1  36.601  73.203  1.29188        8.4      1.3      1.3     6.0
  100   1  12   2  36.669  73.338  1.28983      121.8     19.4     18.4     6.0
  101   7   2   1  36.905  73.811  1.28274        7.1      1.1      1.1     6.0
  102   6   8   0  36.999  73.998  1.27996       12.4      2.0      1.9     6.0
  103   2   0   4  37.084  74.168  1.27745       37.6      6.0      5.7     6.0
  104   5   2   3  37.235  74.47   1.27301       41.8      6.7      6.3     6.0
  105   3  11   2  37.372  74.743  1.26903       10.8      1.7      1.6     6.0
  106   1   4   4  37.63   75.259  1.2616        19.4      3.1      2.9     6.0
  107   4  12   0  37.714  75.429  1.25919       16.7      2.7      2.5     6.0
  108   2  12   2  37.878  75.756  1.25456       76.2     12.2     11.5     6.0
  109   1  10   3  38.091  76.183  1.24859       19.8      3.2      3.0     6.0
  110   5  11   0  38.809  77.617  1.22906        6.6      1.1      1.0     6.0
  111   7   5   1  39.193  78.387  1.21891        6.6      1.1      1.0     6.0
  112   5   9   2  39.411  78.823  1.21326       11.2      1.8      1.7     6.0
  113   2  14   1  39.806  79.613  1.20319        7.5      1.2      1.1     6.0
  114   4  11   2  40.157  80.315  1.19444       36.7      5.8      5.5     6.0
  115   7   7   0  40.548  81.096  1.18489        8.7      1.4      1.3     6.1
  116   5   6   3  40.697  81.394  1.1813        20.8      3.3      3.1     6.1
  117   7   3   2  41.144  82.289  1.17071        8.2      1.3      1.2     6.1
  118   8   0   0  41.2    82.4    1.16941       12.6      2.0      1.9     6.1
  119   3  14   1  41.77   83.54   1.15633       11.4      1.8      1.7     6.1
  120   4   0   4  41.839  83.678  1.15478       16.5      2.6      2.4     6.1
  121   4   1   4  41.945  83.891  1.15239       28.7      4.6      4.2     6.1
  122   4  12   2  42.61   85.219  1.13779       30.7      4.9      4.5     6.1
  123   4   3   4  42.795  85.59   1.13381       12.9      2.1      1.9     6.1
  124   8   2   1  42.837  85.674  1.13291        6.6      1.1      1.0     6.1
  125   2  15   1  42.899  85.799  1.13158        8.5      1.4      1.2     6.1
  126   5  11   2  43.676  87.352  1.11541       65.3     10.4      9.5     6.2
  127   7   9   0  43.949  87.898  1.10988       23.0      3.7      3.4     6.2
  128   4  14   1  44.496  88.992  1.09905        8.1      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)