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       ***
                  ***********************
KORNERUPINE

4, DN

Mg(3.98)Fe(0.38)Al(5.47)Si(4.11)B(0.43)O(21.24)(OH)(0.76)


Orthorhombic  C mcm  Z = 4

R =0.027          NR =1807

17 .11 .1998

Ref.Str.:

         Moore P.B., Gupta P.K., Schlomper E.O. (1989)

         * Amer. Mineral., 74, 642-655

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  16.041    alpha =   90.0 
             b =  13.746    beta  =   90.0 
             c =   6.715    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1480.65

    Molar volume ( cub.cm/mol.) =   222.96

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

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

   1 0.0     0.0     0.0      2.48   Mg    = 0.37, Mg    = 0.0 
   2 0.1218  0.1403  0.25     0.48   Mg    = 1.00
   3 0.5     0.1456  0.25     0.51   Mg    = 1.00
   4 0.2154  0.0     0.0      0.41   Al    = 1.00
   5 0.3137  0.1418  0.25     0.65   Al    = 0.81, Fe    = 0.19
   6 0.4076  0.0     0.0      0.39   Al    = 1.00
   7 0.402   0.353   0.25     0.35   Si    = 1.00
   8 0.1784  0.3338  0.25     0.66   Si    = 0.77, Al    = 0.23
   9 0.0     0.3425  0.25     0.36   Si    = 0.57, B     = 0.43
  10 0.224   0.0448  0.25     0.49   O     = 1.00
  11 0.4037  0.046   0.25     0.44   O     = 1.00
  12 0.4028  0.2355  0.25     0.69   O     = 1.00
  13 0.1382  0.0996  0.9485   0.64   O     = 1.00
  14 0.2338  0.2358  0.25     1.2    O     = 1.00
  15 0.3167  0.0948  0.9529   0.6    O     = 1.00
  16 0.0824  0.2821  0.25     1.02   O     = 1.00
  17 0.5     0.0885  0.9459   0.54   O     = 1.00
  18 0.0     0.1128  0.75     1.06   O     = 1.00
  19 0.0     0.0882  0.25     1.03   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.1218     0.1403     0.25  
     3       3     0.5        0.1456     0.25  
     4       4     0.2154     0.0        0.0   
     5       5     0.3137     0.1418     0.25  
     6       6     0.4076     0.0        0.0   
     7       7     0.402      0.353      0.25  
     8       8     0.1784     0.3338     0.25  
     9       9     0.0        0.3425     0.25  
    10      10     0.224      0.0448     0.25  
    11      11     0.4037     0.046      0.25  
    12      12     0.4028     0.2355     0.25  
    13      13     0.1382     0.0996     0.9485
    14      14     0.2338     0.2358     0.25  
    15      15     0.3167     0.0948     0.9529
    16      16     0.0824     0.2821     0.25  
    17      17     0.5        0.0885     0.9459
    18      18     0.0        0.1128     0.75  
    19      19     0.0        0.0882     0.25  
    20       1     0.0        0.0        0.5   
    21       2     0.8782     0.8597     0.75  
    22       3     0.5        0.8544     0.75  
    23       4     0.7846     0.0        0.5   
    24       5     0.6863     0.8582     0.75  
    25       6     0.5924     0.0        0.5   
    26       7     0.598      0.647      0.75  
    27       8     0.8216     0.6662     0.75  
    28       9     0.0        0.6575     0.75  
    29      10     0.776      0.9552     0.75  
    30      11     0.5963     0.954      0.75  
    31      12     0.5972     0.7645     0.75  
    32      13     0.8618     0.9004     0.4485
    33      14     0.7662     0.7642     0.75  
    34      15     0.6833     0.9052     0.4529
    35      16     0.9176     0.7179     0.75  
    36      17     0.5        0.9115     0.4459
    37      18     0.0        0.8872     0.25  
    38      19     0.0        0.9118     0.75  
    39       2     0.8782     0.1403     0.25  
    40       4     0.7846     0.0        0.0   
    41       5     0.6863     0.1418     0.25  
    42       6     0.5924     0.0        0.0   
    43       7     0.598      0.353      0.25  
    44       8     0.8216     0.3338     0.25  
    45      10     0.776      0.0448     0.25  
    46      11     0.5963     0.046      0.25  
    47      12     0.5972     0.2355     0.25  
    48      13     0.8618     0.0996     0.9485
    49      14     0.7662     0.2358     0.25  
    50      15     0.6833     0.0948     0.9529
    51      16     0.9176     0.2821     0.25  
    52       2     0.1218     0.8597     0.75  
    53       4     0.2154     0.0        0.5   
    54       5     0.3137     0.8582     0.75  
    55       6     0.4076     0.0        0.5   
    56       7     0.402      0.647      0.75  
    57       8     0.1784     0.6662     0.75  
    58      10     0.224      0.9552     0.75  
    59      11     0.4037     0.954      0.75  
    60      12     0.4028     0.7645     0.75  
    61      13     0.1382     0.9004     0.4485
    62      14     0.2338     0.7642     0.75  
    63      15     0.3167     0.9052     0.4529
    64      16     0.0824     0.7179     0.75  
    65      13     0.1382     0.0996     0.5515
    66      15     0.3167     0.0948     0.5471
    67      17     0.5        0.0885     0.5541
    68      13     0.8618     0.9004     0.0515
    69      15     0.6833     0.9052     0.0471
    70      17     0.5        0.9115     0.0541
    71      13     0.8618     0.0996     0.5515
    72      15     0.6833     0.0948     0.5471
    73      13     0.1382     0.9004     0.0515
    74      15     0.3167     0.9052     0.0471
    75       1     0.5        0.5        0.5   
    76       2     0.3782     0.3597     0.75  
    77       3     0.0        0.3544     0.75  
    78       4     0.2846     0.5        0.5   
    79       5     0.1863     0.3582     0.75  
    80       6     0.0924     0.5        0.5   
    81       7     0.098      0.147      0.75  
    82       8     0.3216     0.1662     0.75  
    83       9     0.5        0.1575     0.75  
    84      10     0.276      0.4552     0.75  
    85      11     0.0963     0.454      0.75  
    86      12     0.0972     0.2645     0.75  
    87      13     0.3618     0.4004     0.4485
    88      14     0.2662     0.2642     0.75  
    89      15     0.1833     0.4052     0.4529
    90      16     0.4176     0.2179     0.75  
    91      17     0.0        0.4115     0.4459
    92      18     0.5        0.3872     0.25  
    93      19     0.5        0.4118     0.75  
    94       1     0.5        0.5        0.0   
    95       2     0.6218     0.6403     0.25  
    96       3     0.0        0.6456     0.25  
    97       4     0.7154     0.5        0.0   
    98       5     0.8137     0.6418     0.25  
    99       6     0.9076     0.5        0.0   
   100       7     0.902      0.853      0.25  
   101       8     0.6784     0.8338     0.25  
   102       9     0.5        0.8425     0.25  
   103      10     0.724      0.5448     0.25  
   104      11     0.9037     0.546      0.25  
   105      12     0.9028     0.7355     0.25  
   106      13     0.6382     0.5996     0.9485
   107      14     0.7338     0.7358     0.25  
   108      15     0.8167     0.5948     0.9529
   109      16     0.5824     0.7821     0.25  
   110      17     0.0        0.5885     0.9459
   111      18     0.5        0.6128     0.75  
   112      19     0.5        0.5882     0.25  
   113       2     0.6218     0.3597     0.75  
   114       4     0.7154     0.5        0.5   
   115       5     0.8137     0.3582     0.75  
   116       6     0.9076     0.5        0.5   
   117       7     0.902      0.147      0.75  
   118       8     0.6784     0.1662     0.75  
   119      10     0.724      0.4552     0.75  
   120      11     0.9037     0.454      0.75  
   121      12     0.9028     0.2645     0.75  
   122      13     0.6382     0.4004     0.4485
   123      14     0.7338     0.2642     0.75  
   124      15     0.8167     0.4052     0.4529
   125      16     0.5824     0.2179     0.75  
   126       2     0.3782     0.6403     0.25  
   127       4     0.2846     0.5        0.0   
   128       5     0.1863     0.6418     0.25  
   129       6     0.0924     0.5        0.0   
   130       7     0.098      0.853      0.25  
   131       8     0.3216     0.8338     0.25  
   132      10     0.276      0.5448     0.25  
   133      11     0.0963     0.546      0.25  
   134      12     0.0972     0.7355     0.25  
   135      13     0.3618     0.5996     0.9485
   136      14     0.2662     0.7358     0.25  
   137      15     0.1833     0.5948     0.9529
   138      16     0.4176     0.7821     0.25  
   139      13     0.3618     0.4004     0.0515
   140      15     0.1833     0.4052     0.0471
   141      17     0.0        0.4115     0.0541
   142      13     0.6382     0.5996     0.5515
   143      15     0.8167     0.5948     0.5471
   144      17     0.0        0.5885     0.5541
   145      13     0.6382     0.4004     0.0515
   146      15     0.8167     0.4052     0.0471
   147      13     0.3618     0.5996     0.5515
   148      15     0.1833     0.5948     0.5471


X-ray density (g/cm cub.)   =      3.32

MU (1/cm) =     128.834    Mass attenuation coefficient (cm**2/g) =     38.856

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

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

    1   Mg   ,Mg             2.52         4
                                                 2.2853      18
                                                 2.0708      19
                                                 2.2853      18
                                                 2.0708      19
    2    Mg                  2.52         6
                                                 2.1002      10
                                                 2.1169      13
                                                 2.2251      14
                                                 2.0491      16
                                                 2.0809      19
                                                 2.1169      13
    3    Mg                  2.52         6
                                                 2.0641      11
                                                 1.9895      12
                                                 2.1877      17
                                                 2.0641      11
                                                 1.9895      12
                                                 2.1877      17
    4    Al                  2.316        6
                                                 1.7935      10
                                                 1.8782      13
                                                 2.1068      15
                                                 1.7935      10
                                                 1.8782      13
                                                 2.1068      15
    5   Al   ,Fe             2.592        6
                                                 1.9617      10
                                                 1.9541      11
                                                 1.924       12
                                                 1.82        14
                                                 2.0976      15
                                                 2.0976      15
    6    Al                  2.316        6
                                                 1.795       11
                                                 1.981       15
                                                 1.9516      17
                                                 1.795       11
                                                 1.9516      17
                                                 1.981       15
    7    Si                  2.1          4
                                                 1.6152      12
                                                 1.6177      13
                                                 1.6408      18
                                                 1.6177      13
    8   Si   ,Al             2.316        4
                                                 1.6138      14
                                                 1.696       16
                                                 1.681       15
                                                 1.681       15
    9   Si   ,B              2.1          4
                                                 1.5609      16
                                                 1.5609      16
                                                 1.6217      17
                                                 1.6217      17
   10    O                   3.264       10
                                                 2.8826      11
                                                 2.5614      13
                                                 2.6302      14
                                                 2.5814      15
                                                 2.7588      13
                                                 2.7839      15
                                                 2.5614      13
                                                 2.5814      15
                                                 2.7588      13
                                                 2.7839      15
   11    O                   3.264       11
                                                 2.8826      10
                                                 2.6049      12
                                                 2.5254      15
                                                 2.6263      17
                                                 2.745       17
                                                 3.0895      11
                                                 2.7477      15
                                                 2.5254      15
                                                 2.6263      17
                                                 2.745       17
                                                 2.7477      15
   12    O                   3.264        8
                                                 2.6049      11
                                                 2.7109      14
                                                 3.1029      15
                                                 3.1184      12
                                                 3.1029      15
                                                 2.7106      13
                                                 2.6037      18
                                                 2.7106      13
   13    O                   3.264        9
                                                 2.5614      10
                                                 3.1553      14
                                                 2.8642      15
                                                 2.5931      18
                                                 3.0063      19
                                                 2.7588      10
                                                 2.6659      13
                                                 2.8242      13
                                                 2.7106      12
   14    O                   3.264        9
                                                 2.6302      10
                                                 2.7109      12
                                                 3.1553      13
                                                 3.083       15
                                                 2.5106      16
                                                 3.1553      13
                                                 3.083       15
                                                 2.8169      15
                                                 2.8169      15
   15    O                   3.264       12
                                                 2.5814      10
                                                 2.5254      11
                                                 3.1029      12
                                                 2.8642      13
                                                 3.083       14
                                                 2.942       17
                                                 2.7839      10
                                                 2.7477      11
                                                 2.7249      15
                                                 2.6819      15
                                                 2.8169      14
                                                 2.7091      16
   16    O                   3.264        7
                                                 2.5106      14
                                                 2.9751      19
                                                 2.6436      16
                                                 2.7091      15
                                                 2.5771      17
                                                 2.7091      15
                                                 2.5771      17
   17    O                   3.264       10
                                                 2.6263      11
                                                 2.942       15
                                                 2.745       11
                                                 2.6263      11
                                                 2.942       15
                                                 2.745       11
                                                 2.6309      17
                                                 2.5392      17
                                                 2.5771      16
                                                 2.5771      16
   18    O                   3.264        7
                                                 2.5931      13
                                                 2.7629      19
                                                 2.5931      13
                                                 2.5931      13
                                                 2.5931      13
                                                 2.6037      12
                                                 2.6037      12
   19    O                   3.264        7
                                                 3.0063      13
                                                 2.9751      16
                                                 2.7629      18
                                                 3.0063      13
                                                 2.9751      16
                                                 3.0063      13
                                                 3.0063      13

  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   1   1   0  4.232   8.464   0.048  364.26    4       85.7      487.7
    2   2   0   0  5.511  11.022   0.062  213.86    2       80.1      125.3
    3   0   2   0  6.435  12.87    0.073  156.26    2      118.9      201.6
    4   1   1   1  7.839  15.679   0.089  104.55    8       20.8       16.6
    5   2   2   0  8.488  16.975   0.096   88.87    4       32.2       16.8
    6   3   1   0  8.892  17.784   0.1     80.77    4       16.3        3.9
    7   0   2   1  9.228  18.457   0.104   74.84    4        7.1        0.7
    8   1   3   0 10.069  20.138   0.113   62.52    4       25.7        7.5
    9   2   2   1 10.774  21.547   0.121   54.33    8       66.6       87.9
   10   4   0   0 11.074  22.148   0.125   51.31    2      113.6       60.4
   11   3   1   1 11.098  22.196   0.125   51.08    8       25.9       12.5
   12   1   3   1 12.07   24.14    0.136   42.86    8       41.6       27.1
   13   3   3   0 12.791  25.581   0.144   37.94    4       66.5       30.6
   14   4   2   0 12.849  25.698   0.144   37.58    4       53.7       19.8
   15   0   4   0 12.953  25.905   0.145   36.95    2      211.4      150.6
   16   0   0   2 13.263  26.526   0.149   35.15    2      339.2      368.8
   17   1   1   2 13.945  27.891   0.156   31.6     8       47.8       26.4
   18   2   4   0 14.114  28.228   0.158   30.8     4       53.1       15.8
   19   5   1   0 14.273  28.547   0.16    30.07    4       58.7       18.9
   20   2   0   2 14.401  28.803   0.161   29.51    4       51.5       14.3
   21   3   3   1 14.439  28.877   0.162   29.34    8       26.3        7.4
   22   4   2   1 14.491  28.982   0.162   29.12    8       38.0       15.4
   23   0   4   1 14.584  29.167   0.163   28.72    4      104.0       56.7
   24   0   2   2 14.793  29.586   0.166   27.86    4      404.3      831.1
   25   2   4   1 15.634  31.268   0.175   24.75    8       16.3        2.4
   26   5   1   1 15.779  31.558   0.177   24.26    8       85.9       65.4
   27   2   2   2 15.831  31.661   0.177   24.09    8       39.8       13.9
   28   3   1   2 16.059  32.119   0.18    23.35    8       80.3       54.9
   29   1   5   0 16.515  33.03    0.185   21.98    4      139.3       77.8
   30   6   0   0 16.745  33.49    0.187   21.33    2       66.1        8.5
   31   1   3   2 16.765  33.53    0.187   21.28    8       55.4       23.8
   32   5   3   0 17.044  34.087   0.19    20.53    4      496.9      924.8
   33   4   4   0 17.169  34.338   0.192   20.2     4       95.8       33.8
   34   4   0   2 17.41   34.821   0.194   19.6     4       27.3        2.7
   35   1   5   1 17.851  35.702   0.199   18.55    8       13.4        1.2
   36   6   2   0 18.008  36.016   0.201   18.2     4        6.5        0.1
   37   5   3   1 18.346  36.691   0.204   17.47    8       33.0        6.9
   38   3   5   0 18.364  36.727   0.205   17.43    4        0.7        0.0
   39   4   4   1 18.463  36.926   0.206   17.23    8       16.0        1.6
   40   3   3   2 18.592  37.183   0.207   16.97    8       32.9        6.7
   41   4   2   2 18.633  37.267   0.207   16.88    8       46.0       13.1
   42   0   4   2 18.708  37.416   0.208   16.74    4      211.9      137.1
   43   6   2   1 19.253  38.506   0.214   15.71    8        8.5        0.4
   44   2   4   2 19.561  39.122   0.217   15.17    8       44.6       11.0
   45   3   5   1 19.59   39.179   0.218   15.12    8       23.9        3.2
   46   0   6   0 19.647  39.293   0.218   15.02    2      108.1       16.0
   47   5   1   2 19.681  39.362   0.219   14.96    8      123.4       83.2
   48   7   1   0 19.924  39.848   0.221   14.56    4       39.4        4.1
   49   2   6   0 20.467  40.934   0.227   13.71    4       28.3        2.0
   50   1   1   3 20.607  41.214   0.228   13.51    8       27.0        3.6
   51   0   6   1 20.809  41.617   0.231   13.21    4       38.7        3.6
   52   7   1   1 21.073  42.147   0.233   12.85    8       10.8        0.5
   53   0   2   3 21.218  42.436   0.235   12.65    4      209.5      101.3
   54   6   4   0 21.41   42.82    0.237   12.4     4      385.4      336.0
   55   1   5   2 21.426  42.852   0.237   12.38    8       89.3       36.0
   56   2   6   1 21.592  43.185   0.239   12.16    8        1.9        0.0
   57   6   0   2 21.611  43.222   0.239   12.14    4       49.3        5.4
   58   5   5   0 21.653  43.306   0.24    12.09    4      309.0      210.6
   59   5   3   2 21.852  43.704   0.242   11.84    8      124.9       67.4
   60   4   4   2 21.954  43.907   0.243   11.72    8        3.4        0.1
   61   2   2   3 21.99   43.98    0.243   11.67    8       71.4       21.7
   62   7   3   0 22.076  44.151   0.244   11.57    4       55.7        6.6
   63   3   1   3 22.164  44.327   0.245   11.47    8       46.0        8.9
   64   6   4   1 22.497  44.994   0.248   11.09    8       71.6       20.7
   65   8   0   0 22.591  45.183   0.249   10.99    2       74.0        5.5
   66   6   2   2 22.642  45.284   0.25    10.93    8       47.2        8.9
   67   1   3   3 22.706  45.411   0.251   10.86    8       54.5       11.8
   68   5   5   1 22.731  45.462   0.251   10.83    8      125.1       61.9
   69   4   6   0 22.782  45.563   0.251   10.78    4       34.5        2.3
   70   3   5   2 22.938  45.875   0.253   10.61    8        9.8        0.4
   71   7   3   1 23.138  46.276   0.255   10.41    8       42.0        6.7
   72   1   7   0 23.278  46.555   0.257   10.27    4       49.7        4.6
   73   8   2   0 23.589  47.178   0.26     9.96    4       25.7        1.2
   74   4   6   1 23.819  47.638   0.262    9.75    8       23.6        2.0
   75   0   6   2 24.019  48.037   0.264    9.56    4      120.8       25.5
   76   3   3   3 24.154  48.308   0.266    9.44    8       18.7        1.2
   77   4   2   3 24.188  48.376   0.266    9.41    8       14.0        0.7
   78   0   4   3 24.248  48.497   0.267    9.36    4      211.3       76.2
   79   7   1   2 24.255  48.511   0.267    9.35    8        6.3        0.1
   80   1   7   1 24.299  48.598   0.267    9.31    8       19.4        1.3
   81   8   2   1 24.6    49.201   0.27     9.06    8       41.5        5.7
   82   3   7   0 24.7    49.401   0.271    8.97    4       16.2        0.4
   83   2   6   2 24.722  49.443   0.271    8.96    8       13.9        0.6
   84   2   4   3 24.946  49.893   0.274    8.77    8        1.4        0.0
   85   5   1   3 25.045  50.091   0.275    8.69    8       12.4        0.5
   86   6   4   2 25.54   51.081   0.28     8.32    8       49.0        7.3
   87   3   7   1 25.679  51.358   0.281    8.21    8       50.6        7.7
   88   5   5   2 25.753  51.506   0.282    8.16    8      185.6      102.6
   89   9   1   0 25.836  51.672   0.283    8.1     4      158.0       36.9
   90   7   5   0 25.951  51.901   0.284    8.02    4       90.3       11.9
   91   7   3   2 26.124  52.249   0.286    7.9     8       17.9        0.9
   92   6   6   0 26.281  52.563   0.287    7.79    4       45.0        2.9
   93   8   4   0 26.408  52.817   0.289    7.71    4       37.5        2.0
   94   1   5   3 26.51   53.02    0.29     7.64    8        4.9        0.1
   95   8   0   2 26.58   53.16    0.29     7.59    4       40.2        2.2
   96   0   8   0 26.634  53.268   0.291    7.56    2      265.6       48.6
   97   4   6   2 26.749  53.498   0.292    7.48    8       90.8       22.5
   98   9   1   1 26.785  53.569   0.293    7.46    8       24.8        1.7
   99   5   3   3 26.874  53.748   0.293    7.4     8      101.2       27.7
  100   7   5   1 26.897  53.793   0.294    7.39    8       96.4       25.1
  101   4   4   3 26.961  53.923   0.294    7.35    8       29.7        2.4
  102   1   7   2 27.191  54.381   0.297    7.21    8       58.9        9.1
  103   6   6   1 27.219  54.439   0.297    7.19    8      106.7       29.9
  104   2   8   0 27.288  54.576   0.298    7.15    4       20.7        0.6
  105   0   0   4 27.312  54.625   0.298    7.14    2      680.5      301.5
  106   8   4   1 27.343  54.687   0.298    7.12    8       39.8        4.1
  107   5   7   0 27.381  54.762   0.299    7.1     4      146.6       27.8
  108   8   2   2 27.469  54.938   0.299    7.05    8       22.4        1.3
  109   6   2   3 27.555  55.11    0.3      7.0     8      117.6       35.3
  110   0   8   1 27.564  55.128   0.3      6.99    4       62.6        5.0
  111   9   3   0 27.627  55.255   0.301    6.95    4       89.8       10.2
  112   1   1   4 27.693  55.387   0.302    6.92    8       39.5        3.9
  113   3   5   3 27.811  55.623   0.303    6.85    8       16.7        0.7
  114   2   0   4 27.955  55.911   0.304    6.77    4       39.9        2.0
  115   0   2   4 28.186  56.371   0.307    6.65    4       33.9        1.4
  116   2   8   1 28.203  56.406   0.307    6.64    8       16.5        0.7
  117   5   7   1 28.294  56.588   0.308    6.59    8       65.3       10.2
  118   3   7   2 28.471  56.941   0.309    6.5     8        4.0        0.0
  119   9   3   1 28.535  57.07    0.31     6.46    8       19.8        0.9
  120  10   0   0 28.698  57.396   0.312    6.38    2      386.6       87.0
  121   0   6   3 28.758  57.516   0.312    6.35    4       52.1        3.1
  122   2   2   4 28.816  57.632   0.313    6.32    8       21.7        1.1
  123   3   1   4 28.959  57.917   0.314    6.25    8        7.0        0.1
  124   7   1   3 28.967  57.934   0.314    6.25    8       44.5        4.5
  125   4   8   0 29.19   58.38    0.317    6.14    4       51.4        3.0
  126   2   6   3 29.38   58.761   0.318    6.05    8       20.8        1.0
  127   1   3   4 29.408  58.816   0.319    6.04    8       18.0        0.7
  128   9   1   2 29.505  59.009   0.32     5.99    8       64.1        9.0
  129  10   2   0 29.545  59.089   0.32     5.97    4       64.6        4.5
  130   7   5   2 29.61   59.219   0.321    5.95    8       24.2        1.3
  131   4   0   4 29.83   59.659   0.323    5.85    4       58.3        3.6
  132   6   6   2 29.913  59.826   0.324    5.81    8      256.5      139.5
  133   8   4   2 30.03   60.06    0.325    5.76    8        1.4        0.0
  134   4   8   1 30.067  60.135   0.325    5.74    8        8.6        0.2
  135   6   4   3 30.111  60.222   0.326    5.73    8       25.4        1.3
  136   0   8   2 30.238  60.475   0.327    5.67    4       30.6        1.0
  137   5   5   3 30.302  60.604   0.328    5.65    8       72.7       10.9
  138  10   2   1 30.415  60.831   0.329    5.6     8        0.7        0.0
  139   1   9   0 30.438  60.877   0.329    5.59    4        7.2        0.1
  140   3   3   4 30.628  61.256   0.331    5.51    8       50.4        5.1
  141   7   3   3 30.636  61.272   0.331    5.51    8       73.3       10.8
  142   4   2   4 30.657  61.313   0.331    5.5     8       37.0        2.7
  143   8   6   0 30.698  61.395   0.331    5.49    4       70.0        4.9
  144   0   4   4 30.708  61.416   0.331    5.48    4       67.0        4.5
  145   2   8   2 30.841  61.683   0.333    5.43    8       45.9        4.2
  146   5   7   2 30.927  61.855   0.334    5.4     8      464.9      425.4
  147   9   5   0 31.001  62.002   0.334    5.37    4        1.0        0.0
  148   7   7   0 31.103  62.206   0.335    5.33    4       53.5        2.8
  149   9   3   2 31.156  62.312   0.336    5.31    8      142.3       39.2
  150   4   6   3 31.201  62.402   0.336    5.29    8       47.3        4.3
  151   1   9   1 31.294  62.589   0.337    5.26    8       95.6       17.5
  152   2   4   4 31.306  62.613   0.337    5.25    8       42.6        3.5
  153   5   1   4 31.392  62.783   0.338    5.22    8       14.6        0.4
  154   8   6   1 31.55   63.099   0.34     5.16    8       52.0        5.1
  155   1   7   3 31.602  63.205   0.34     5.14    8       21.6        0.9
  156   3   9   0 31.635  63.269   0.34     5.13    4       40.1        1.5
  157   9   5   1 31.848  63.696   0.343    5.06    8       42.0        3.3
  158   8   2   3 31.856  63.712   0.343    5.06    8       57.5        6.1
  159   7   7   1 31.949  63.898   0.343    5.02    8       21.7        0.9
  160  10   4   0 32.001  64.002   0.344    5.01    4       44.8        1.8
  161  11   1   0 32.085  64.17    0.345    4.98    4      317.7       91.7
  162  10   0   2 32.153  64.306   0.345    4.95    4      148.0       19.8
  163   6   8   0 32.201  64.403   0.346    4.94    4       67.0        4.0
  164   3   9   1 32.473  64.946   0.349    4.85    8        0.7        0.0
  165   4   8   2 32.614  65.228   0.35     4.8     8       20.7        0.8
  166   1   5   4 32.667  65.335   0.35     4.79    8       98.8       17.1
  167   3   7   3 32.775  65.549   0.351    4.75    8       19.5        0.7
  168   6   0   4 32.806  65.612   0.352    4.74    4       25.3        0.6
  169  10   4   1 32.834  65.668   0.352    4.74    8       52.8        4.8
  170  11   1   1 32.917  65.834   0.353    4.71    8       85.3       12.5
  171  10   2   2 32.947  65.893   0.353    4.7     8      138.4       32.9
  172   5   3   4 32.988  65.976   0.353    4.69    8      352.8      212.9
  173   6   8   1 33.032  66.063   0.354    4.68    8       31.7        1.7
  174   4   4   4 33.065  66.13    0.354    4.67    8       50.8        4.4
  175   6   2   4 33.592  67.183   0.359    4.51    8       46.7        3.6
  176  11   3   0 33.664  67.328   0.36     4.49    4       52.6        2.3
  177   9   1   3 33.73   67.461   0.36     4.47    8       20.2        0.7
  178   1   9   2 33.789  67.578   0.361    4.46    8       50.4        4.1
  179   3   5   4 33.82   67.64    0.361    4.45    8       19.5        0.6
  180   7   5   3 33.828  67.656   0.361    4.45    8       91.5       13.6
  181   5   9   0 33.957  67.913   0.363    4.41    4      197.3       31.3
  182   8   6   2 34.034  68.069   0.363    4.39    8       31.7        1.6
  183   0  10   0 34.081  68.162   0.364    4.38    2       43.4        0.8
  184   6   6   3 34.11   68.22    0.364    4.37    8      132.5       28.0
  185   8   4   3 34.219  68.438   0.365    4.34    8       19.4        0.6
  186   9   5   2 34.322  68.643   0.366    4.31    8       46.0        3.3
  187   0   8   3 34.413  68.825   0.367    4.29    4       90.6        6.4
  188   7   7   2 34.418  68.837   0.367    4.29    8       15.5        0.4
  189  11   3   1 34.476  68.953   0.367    4.27    8       37.0        2.1
  190   2  10   0 34.648  69.297   0.369    4.23    4        4.0        0.0
  191   0   6   4 34.669  69.339   0.369    4.23    4      213.5       35.1
  192   5   9   1 34.766  69.532   0.37     4.2     8       35.5        1.9
  193   7   1   4 34.858  69.716   0.371    4.18    8        1.7        0.0
  194   0  10   1 34.889  69.778   0.371    4.17    4      136.0       14.1
  195   3   9   2 34.923  69.847   0.372    4.16    8       16.2        0.4
  196   2   8   3 34.977  69.954   0.372    4.15    8        0.3        0.0
  197   5   7   3 35.058  70.116   0.373    4.13    8      136.6       28.1
  198  12   0   0 35.186  70.372   0.374    4.1     2      148.6        8.3
  199   2   6   4 35.232  70.464   0.374    4.09    8       28.6        1.2
  200  10   4   2 35.272  70.544   0.375    4.08    8      209.4       65.3
  201   9   3   3 35.272  70.544   0.375    4.08    8       19.6        0.6
  202   1   1   5 35.33   70.659   0.375    4.07    8        9.9        0.1
  203  11   1   2 35.352  70.705   0.376    4.06    8       54.9        4.5
  204   2  10   1 35.45   70.9     0.376    4.04    8       76.8        8.7
  205   6   8   2 35.463  70.927   0.377    4.04    8       49.1        3.5
  206   9   7   0 35.707  71.415   0.379    3.98    4      116.2        9.8
  207   0   2   5 35.761  71.521   0.379    3.97    4       75.5        4.1
  208  10   6   0 35.888  71.776   0.381    3.94    4      154.8       17.2
  209   6   4   4 35.897  71.795   0.381    3.94    8      213.1       65.3
  210  12   2   0 35.947  71.893   0.381    3.93    4       49.0        1.7
  211   5   5   4 36.072  72.144   0.382    3.9     8      157.0       35.1
  212   8   8   0 36.184  72.367   0.383    3.88    4       45.7        1.5
  213   2   2   5 36.316  72.632   0.384    3.85    8       22.3        0.7
  214   4  10   0 36.326  72.651   0.385    3.85    4       34.6        0.8
  215   7   3   4 36.378  72.757   0.385    3.84    8       23.2        0.8
  216   3   1   5 36.442  72.885   0.386    3.83    8        9.8        0.1
  217   9   7   1 36.499  72.998   0.386    3.82    8       29.3        1.2
  218   4   8   3 36.648  73.296   0.387    3.79    8       22.1        0.7
  219  10   6   1 36.678  73.356   0.388    3.78    8       15.4        0.3
  220  11   5   0 36.721  73.443   0.388    3.77    4       38.7        1.0
  221  12   2   1 36.736  73.473   0.388    3.77    8       96.8       12.9
  222   8   0   4 36.757  73.514   0.388    3.77    4       24.4        0.4
  223   1   3   5 36.842  73.683   0.389    3.75    8       13.6        0.3
  224  11   3   2 36.864  73.728   0.389    3.75    8      166.6       38.0
  225   4   6   4 36.898  73.796   0.39     3.74    8       39.3        2.1
  226  10   2   3 36.964  73.928   0.39     3.73    8        6.8        0.1
  227   8   8   1 36.971  73.943   0.39     3.73    8        6.3        0.1
  228   4  10   1 37.112  74.224   0.392    3.7     8       13.7        0.3
  229   5   9   2 37.146  74.292   0.392    3.69    8       55.4        4.1
  230   0  10   2 37.266  74.531   0.393    3.67    4      459.8      141.6
  231   1   7   4 37.269  74.539   0.393    3.67    8       13.9        0.3
  232   7   9   0 37.307  74.614   0.393    3.66    4       87.1        5.1
  233  11   5   1 37.505  75.01    0.395    3.63    8       32.3        1.4
  234   8   2   4 37.505  75.01    0.395    3.63    8        9.9        0.1
  235   1   9   3 37.766  75.532   0.398    3.58    8       60.5        4.8
  236   2  10   2 37.813  75.625   0.398    3.58    8       69.6        6.3
  237   3   3   5 37.937  75.874   0.399    3.55    8       24.1        0.8
  238   4   2   5 37.963  75.926   0.399    3.55    8       37.8        1.8
  239   8   6   3 38.0    76.001   0.4      3.54    8       34.3        1.5
  240   0   4   5 38.01   76.019   0.4      3.54    4        7.9        0.0
  241   7   9   1 38.086  76.172   0.4      3.53    8       42.3        2.3
  242   1  11   0 38.19   76.38    0.401    3.51    4       24.4        0.4
  243  12   4   0 38.192  76.383   0.401    3.51    4       20.2        0.3
  244   9   5   3 38.275  76.55    0.402    3.5     8       32.0        1.3
  245  12   0   2 38.333  76.665   0.403    3.49    4      111.6        7.9
  246   3   7   4 38.361  76.721   0.403    3.49    8       24.2        0.7
  247   7   7   3 38.368  76.736   0.403    3.48    8       18.2        0.4
  248   2   4   5 38.553  77.106   0.405    3.46    8       11.6        0.2
  249   5   1   5 38.631  77.261   0.405    3.44    8       74.0        6.9
  250  13   1   0 38.812  77.623   0.407    3.42    4       45.5        1.3
  251   9   7   2 38.838  77.675   0.407    3.41    8       49.5        3.0
  252   3   9   3 38.853  77.705   0.407    3.41    8       18.8        0.4
  253   1  11   1 38.963  77.927   0.408    3.39    8        8.0        0.1
  254  12   4   1 38.965  77.93    0.408    3.39    8       71.6        6.4
  255  10   6   2 39.013  78.026   0.409    3.39    8       13.2        0.2
  256   6  10   0 39.057  78.115   0.409    3.38    4       22.5        0.3
  257  12   2   2 39.07   78.14    0.409    3.38    8       62.8        4.9
  258  10   4   3 39.188  78.376   0.41     3.36    8       61.1        4.6
  259   9   1   4 39.258  78.516   0.411    3.35    8      116.9       16.7
  260  11   1   3 39.265  78.53    0.411    3.35    8      141.2       24.4
  261   3  11   0 39.273  78.546   0.411    3.35    4       23.0        0.3
  262   8   8   2 39.3    78.601   0.411    3.35    8       50.5        3.1
  263   7   5   4 39.35   78.7     0.412    3.34    8       43.8        2.3
  264   6   8   3 39.372  78.744   0.412    3.34    8       55.8        3.8
  265   4  10   2 39.438  78.877   0.412    3.33    8       76.3        7.1
  266  13   1   1 39.581  79.163   0.414    3.31    8       31.6        1.2
  267   6   6   4 39.616  79.233   0.414    3.3     8       17.1        0.4
  268   8   4   4 39.719  79.438   0.415    3.29    8       17.1        0.4
  269   1   5   5 39.802  79.603   0.416    3.28    8       18.3        0.4
  270  11   5   2 39.824  79.647   0.416    3.28    8       66.6        5.3
  271   6  10   1 39.826  79.651   0.416    3.28    8       57.3        3.9
  272   0   8   4 39.903  79.805   0.416    3.27    4      197.1       23.1
  273   3  11   1 40.04   80.08    0.418    3.25    8        8.6        0.1
  274   5   3   5 40.098  80.197   0.418    3.24    8       60.0        4.3
  275   4   4   5 40.17   80.34    0.419    3.23    8        4.6        0.0
  276  13   3   0 40.278  80.555   0.42     3.22    4       24.3        0.3
  277   7   9   2 40.395  80.79    0.421    3.21    8       51.1        3.1
  278   2   8   4 40.439  80.877   0.421    3.2     8        9.0        0.1
  279   5   7   4 40.515  81.031   0.422    3.19    8      138.4       22.3
  280   6   2   5 40.659  81.319   0.423    3.18    8       39.5        1.8
  281   9   3   4 40.72   81.439   0.423    3.17    8       69.0        5.5
  282  11   3   3 40.727  81.454   0.424    3.17    8      146.5       24.8
  283   3   5   5 40.873  81.746   0.425    3.15    8       14.8        0.3
  284   5   9   3 41.0    82.001   0.426    3.14    8       33.8        1.3
  285  13   3   1 41.04   82.081   0.426    3.13    8       22.4        0.6
  286  10   8   0 41.066  82.132   0.426    3.13    4      122.1        8.5
  287   0  10   3 41.117  82.234   0.427    3.13    4       88.5        4.5
  288  11   7   0 41.142  82.285   0.427    3.12    4       71.3        2.9
  289   1  11   2 41.259  82.518   0.428    3.11    8       51.7        3.0
  290  12   4   2 41.261  82.521   0.428    3.11    8       16.4        0.3
  291   5  11   0 41.415  82.831   0.429    3.09    4       89.0        4.5
  292  10   0   4 41.619  83.237   0.431    3.07    4      287.5       46.4
  293   9   9   0 41.619  83.238   0.431    3.07    4        4.6        0.0
  294   2  10   3 41.65   83.3     0.431    3.07    8       72.1        5.8
  295   0   6   5 41.67   83.339   0.432    3.07    4       40.2        0.9
  296  10   8   1 41.826  83.651   0.433    3.05    8        6.4        0.0
  297  12   6   0 41.847  83.695   0.433    3.05    4       14.7        0.1
  298   7   1   5 41.847  83.695   0.433    3.05    8        9.3        0.1
  299  13   1   2 41.869  83.738   0.433    3.05    8        1.7        0.0
  300  11   7   1 41.902  83.804   0.434    3.05    8       11.6        0.1
  301   4   8   4 42.038  84.076   0.435    3.03    8       29.4        1.0
  302   6  10   2 42.111  84.221   0.435    3.03    8        8.5        0.1
  303   5  11   1 42.174  84.348   0.436    3.02    8       78.9        6.9
  304   2   6   5 42.201  84.402   0.436    3.02    8        0.3        0.0
  305  14   0   0 42.243  84.485   0.436    3.02    2       25.0        0.2
  306   0  12   0 42.256  84.511   0.436    3.02    2      162.1        7.2
  307   3  11   2 42.323  84.645   0.437    3.01    8       71.4        5.6
  308  10   2   4 42.342  84.685   0.437    3.01    8       43.5        2.1
  309   9   9   1 42.377  84.754   0.438    3.0     8        6.3        0.0
  310  12   6   1 42.605  85.21    0.439    2.99    8       38.5        1.6
  311   9   7   3 42.652  85.304   0.44     2.98    8       33.5        1.2
  312   2  12   0 42.786  85.572   0.441    2.97    4       22.6        0.3
  313   8  10   0 42.797  85.594   0.441    2.97    4       17.8        0.2
  314  10   6   3 42.824  85.648   0.441    2.97    8       19.9        0.4
  315   6   4   5 42.833  85.666   0.441    2.97    8       69.5        5.2
  316  12   2   3 42.88   85.76    0.442    2.96    8       77.0        6.4
  317  14   2   0 42.965  85.93    0.442    2.96    4       91.3        4.5
  318   5   5   5 42.999  85.999   0.443    2.95    8       66.1        4.7
  319   0  12   1 43.012  86.024   0.443    2.95    4      103.0        5.7
  320   8   8   3 43.106  86.212   0.444    2.95    8        9.1        0.1
  321   1   9   4 43.119  86.238   0.444    2.95    8        0.3        0.0
  322  13   5   0 43.176  86.353   0.444    2.94    4       26.0        0.4
  323   4  10   3 43.242  86.483   0.445    2.94    8       24.8        0.7
  324   7   3   5 43.292  86.584   0.445    2.93    8        9.1        0.1
  325  13   3   2 43.314  86.628   0.445    2.93    8       25.2        0.7
  326   8   6   4 43.346  86.693   0.446    2.93    8       39.2        1.6
  327   0   0   6 43.493  86.985   0.447    2.92    2      273.6       19.9
  328   2  12   1 43.542  87.083   0.447    2.91    8       58.0        3.6
  329   8  10   1 43.552  87.105   0.447    2.91    8       15.9        0.3
  330   9   5   4 43.614  87.227   0.448    2.91    8        4.4        0.0
  331  11   5   3 43.621  87.242   0.448    2.91    8       15.6        0.3
  332   7   7   4 43.704  87.408   0.448    2.9     8       42.8        1.9
  333  14   2   1 43.72   87.44    0.449    2.9     8       16.2        0.3
  334   4   6   5 43.791  87.581   0.449    2.9     8        3.5        0.0
  335   1   1   6 43.805  87.61    0.449    2.9     8       18.2        0.3
  336  13   5   1 43.931  87.863   0.45     2.89    8       52.2        2.9
  337   2   0   6 44.022  88.043   0.451    2.88    4       15.9        0.1
  338  10   8   2 44.094  88.188   0.452    2.88    8       10.9        0.1
  339   1   7   5 44.148  88.296   0.452    2.88    8       11.8        0.1
  340  11   7   2 44.17   88.339   0.452    2.87    8        3.2        0.0
  341   3   9   4 44.177  88.354   0.452    2.87    8       24.8        0.6
  342   7   9   3 44.184  88.368   0.452    2.87    8       28.9        0.9
  343   0   2   6 44.213  88.426   0.453    2.87    4      170.3       15.2
  344   4  12   0 44.374  88.747   0.454    2.86    4       31.1        0.5
  345   8   2   5 44.375  88.751   0.454    2.86    8       19.3        0.4
  346   5  11   2 44.44   88.881   0.454    2.86    8       12.3        0.2
  347  10   4   4 44.505  89.01    0.455    2.85    8       35.6        1.3
  348  11   1   4 44.581  89.162   0.456    2.85    8      186.5       36.2
  349   7  11   0 44.596  89.191   0.456    2.85    4        6.5        0.0
  350   9   9   2 44.642  89.285   0.456    2.85    8       64.1        4.3
  351   6   8   4 44.686  89.371   0.456    2.84    8       58.4        3.5
  352   2   2   6 44.742  89.483   0.457    2.84    8       22.0        0.5
  353   3   1   6 44.862  89.725   0.458    2.84    8       19.6        0.4
  354  12   6   2 44.87   89.739   0.458    2.83    8       35.6        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   1   1   0   4.232   8.464 10.43784      487.7     52.7     53.7     5.6
    2   2   0   0   5.511  11.022  8.0205       125.3     13.5     13.8     5.6
    3   0   2   0   6.435  12.87   6.873        201.6     21.8     22.1     5.6
    4   1   1   1   7.839  15.679  5.64729       16.6      1.8      1.8     5.6
    5   2   2   0   8.488  16.975  5.21892       16.8      1.8      1.8     5.6
    6   2   2   1  10.774  21.547  4.12071       87.9      9.5      9.6     5.6
    7   4   0   0  11.074  22.148  4.01025       73.0      7.9      8.0     5.6
    8   1   3   1  12.07   24.14   3.68368       27.1      2.9      3.0     5.6
    9   3   3   0  12.791  25.581  3.47928       30.6      3.3      3.3     5.6
   10   4   2   0  12.849  25.698  3.46375       19.8      2.1      2.2     5.6
   11   0   4   0  12.953  25.905  3.4365       150.6     16.3     16.4     5.6
   12   0   0   2  13.263  26.526  3.3575       368.8     39.9     40.1     5.6
   13   1   1   2  13.945  27.891  3.19621       26.4      2.9      2.9     5.6
   14   2   4   0  14.114  28.228  3.15876       15.8      1.7      1.7     5.6
   15   5   1   0  14.273  28.547  3.12424       18.9      2.0      2.1     5.6
   16   2   0   2  14.401  28.803  3.09708       14.3      1.5      1.6     5.6
   17   4   2   1  14.491  28.982  3.07834       15.4      1.7      1.7     5.6
   18   0   4   1  14.584  29.167  3.05917       56.7      6.1      6.2     5.6
   19   0   2   2  14.793  29.586  3.01678      831.1     89.9     90.2     5.6
   20   5   1   1  15.779  31.558  2.83265       65.4      7.1      7.1     5.6
   21   2   2   2  15.831  31.661  2.82365       13.9      1.5      1.5     5.6
   22   3   1   2  16.059  32.119  2.78447       54.9      5.9      5.9     5.6
   23   1   5   0  16.515  33.03   2.70969       77.8      8.4      8.4     5.6
   24   1   3   2  16.765  33.53   2.67045       32.3      3.5      3.5     5.7
   25   5   3   0  17.044  34.087  2.62804      924.8    100.0    100.0     5.7
   26   4   4   0  17.169  34.338  2.60946       33.8      3.7      3.7     5.7
   27   4   2   2  18.633  37.267  2.4108        13.1      1.4      1.4     5.7
   28   0   4   2  18.708  37.416  2.40155      137.1     14.8     14.8     5.7
   29   2   4   2  19.561  39.122  2.30063       11.0      1.2      1.2     5.7
   30   0   6   0  19.647  39.293  2.291         16.0      1.7      1.7     5.7
   31   5   1   2  19.681  39.362  2.28719       83.2      9.0      8.9     5.7
   32   0   2   3  21.218  42.436  2.12831      101.3     10.9     10.9     5.7
   33   6   4   0  21.41   42.82   2.11013      372.0     40.2     39.9     5.7
   34   5   5   0  21.653  43.306  2.08757      210.6     22.8     22.6     5.7
   35   5   3   2  21.852  43.704  2.06947       67.4      7.3      7.2     5.7
   36   2   2   3  21.99   43.98   2.05712       21.7      2.3      2.3     5.7
   37   6   4   1  22.497  44.994  2.01308       20.7      2.2      2.2     5.7
   38   5   5   1  22.731  45.462  1.99346       73.7      8.0      7.9     5.7
   39   0   6   2  24.019  48.037  1.89242       25.5      2.8      2.7     5.7
   40   0   4   3  24.248  48.497  1.87557       76.4      8.3      8.1     5.7
   41   5   5   2  25.753  51.506  1.77283      102.6     11.1     10.9     5.8
   42   9   1   0  25.836  51.672  1.76754       36.9      4.0      3.9     5.8
   43   7   5   0  25.951  51.901  1.76025       11.9      1.3      1.3     5.8
   44   0   8   0  26.634  53.268  1.71825       48.6      5.3      5.2     5.8
   45   4   6   2  26.749  53.498  1.71143       22.5      2.4      2.4     5.8
   46   5   3   3  26.874  53.748  1.70403       52.8      5.7      5.6     5.8
   47   6   6   1  27.219  54.439  1.68404       39.0      4.2      4.1     5.8
   48   0   0   4  27.312  54.625  1.67875      301.5     32.6     31.9     5.8
   49   5   7   0  27.381  54.762  1.67487       27.8      3.0      2.9     5.8
   50   6   2   3  27.555  55.11   1.66511       40.3      4.4      4.3     5.8
   51   9   3   0  27.627  55.255  1.66109       10.2      1.1      1.1     5.8
   52   5   7   1  28.294  56.588  1.62508       10.2      1.1      1.1     5.8
   53  10   0   0  28.698  57.396  1.6041        87.0      9.4      9.2     5.8
   54   6   6   2  29.913  59.826  1.54462      139.5     15.1     14.6     5.8
   55   5   5   3  30.302  60.604  1.52665       10.9      1.2      1.1     5.8
   56   7   3   3  30.636  61.272  1.51159       18.7      2.0      2.0     5.8
   57   8   6   0  30.698  61.395  1.50885        9.4      1.0      1.0     5.8
   58   5   7   2  30.927  61.855  1.49874      425.4     46.0     44.5     5.8
   59   9   3   2  31.156  62.312  1.48884       39.2      4.2      4.1     5.8
   60   1   9   1  31.294  62.589  1.48292       21.0      2.3      2.2     5.8
   61   8   2   3  31.856  63.712  1.45944        9.4      1.0      1.0     5.9
   62  11   1   0  32.085  64.17   1.45014       91.7      9.9      9.6     5.9
   63  10   0   2  32.153  64.306  1.44739       19.8      2.1      2.1     5.9
   64   1   5   4  32.667  65.335  1.42707       17.1      1.8      1.8     5.9
   65  11   1   1  32.917  65.834  1.41746       12.5      1.4      1.3     5.9
   66  10   2   2  32.947  65.893  1.41633       32.9      3.6      3.4     5.9
   67   5   3   4  32.988  65.976  1.41474      212.9     23.0     22.1     5.9
   68   7   5   3  33.828  67.656  1.38365       13.6      1.5      1.4     5.9
   69   5   9   0  33.957  67.913  1.37903       31.3      3.4      3.2     5.9
   70   6   6   3  34.11   68.22   1.37357       28.0      3.0      2.9     5.9
   71   0   6   4  34.669  69.339  1.35412       35.1      3.8      3.6     5.9
   72   0  10   1  34.889  69.778  1.34667       14.1      1.5      1.5     5.9
   73   5   7   3  35.058  70.116  1.34101       28.1      3.0      2.9     5.9
   74  10   4   2  35.272  70.544  1.33391       65.8      7.1      6.8     5.9
   75   2  10   1  35.45   70.9    1.32808       12.2      1.3      1.3     5.9
   76   9   7   0  35.707  71.415  1.31978        9.8      1.1      1.0     5.9
   77   6   4   4  35.897  71.795  1.31372       82.5      8.9      8.5     5.9
   78   5   5   4  36.072  72.144  1.30822       35.1      3.8      3.6     5.9
   79  12   2   1  36.736  73.473  1.28781       13.9      1.5      1.4     6.0
   80  11   3   2  36.864  73.728  1.28397       38.0      4.1      3.9     6.0
   81   0  10   2  37.266  74.531  1.27211      141.9     15.3     14.5     6.0
   82  11   1   3  39.265  78.53   1.21704       41.4      4.5      4.2     6.0
   83   0   8   4  39.903  79.805  1.20078       23.1      2.5      2.3     6.0
   84   5   7   4  40.515  81.031  1.18568       22.3      2.4      2.3     6.1
   85  11   3   3  40.727  81.454  1.18059       30.3      3.3      3.1     6.1
   86  10   0   4  41.619  83.237  1.15976       46.4      5.0      4.7     6.1
   87   0  12   1  43.012  86.024  1.12919       10.4      1.1      1.0     6.1
   88   0   0   6  43.493  86.985  1.11917       19.9      2.2      2.0     6.1
   89   0   2   6  44.213  88.426  1.10462       15.2      1.6      1.5     6.2
   90  11   1   4  44.581  89.162  1.0974        36.2      3.9      3.6     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)