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

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

2, DN

Mg(3.93)Al(5.90)Si(3.92)B(0.57)O(20.95)(OH)(1.05)


Orthorhombic  C mcm  Z = 4

R =0.052          NR =1441

21 .12 .1992

Ref.Str.:

         Moore P.B., Araki T. (1979)

         * Neues Jb. Miner., Abh., 134, 3, 317-336

Reserv:

         T.V.Ush.

                   Initial data from BDM-file 

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

             a =  16.016    alpha =   90.0 
             b =  13.758    beta  =   90.0 
             c =   6.72     gamma =   90.0 

    Unit cell volume (cub. angs.) =  1480.74

    Molar volume ( cub.cm/mol.) =   222.98

  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      2.05   Mg    = 0.32, Mg    = 0.0 
   2 0.1212  0.141   0.25     0.81   Mg    = 1.00
   3 0.5     0.1463  0.25     0.66   Mg    = 1.00
   4 0.2154  0.0     0.0      0.41   Al    = 1.00
   5 0.3133  0.142   0.25     0.68   Al    = 1.00
   6 0.4083  0.0     0.0      0.41   Al    = 1.00
   7 0.4018  0.3528  0.25     0.44   Si    = 1.00
   8 0.1767  0.3339  0.25     0.67   Si    = 1.00
   9 0.0     0.3444  0.25     0.68   B     = 0.56, Si    = 0.44
  10 0.2244  0.0453  0.25     0.5    O     = 1.00
  11 0.4031  0.047   0.25     0.46   O     = 1.00
  12 0.4016  0.2356  0.25     0.78   O     = 1.00
  13 0.1377  0.0999  0.9484   0.73   O     = 1.00
  14 0.2313  0.237   0.25     1.09   O     = 1.00
  15 0.3166  0.0959  0.9513   0.6    O     = 1.00
  16 0.0807  0.2848  0.25     0.94   O     = 1.00
  17 0.5     0.0888  0.943    0.6    O     = 1.00
  18 0.0     0.1134  0.75     1.16   O     = 1.00
  19 0.0     0.0874  0.25     0.81   OH    = 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     0.1212     0.141      0.25  
     3       3     0.5        0.1463     0.25  
     4       4     0.2154     0.0        0.0   
     5       5     0.3133     0.142      0.25  
     6       6     0.4083     0.0        0.0   
     7       7     0.4018     0.3528     0.25  
     8       8     0.1767     0.3339     0.25  
     9       9     0.0        0.3444     0.25  
    10      10     0.2244     0.0453     0.25  
    11      11     0.4031     0.047      0.25  
    12      12     0.4016     0.2356     0.25  
    13      13     0.1377     0.0999     0.9484
    14      14     0.2313     0.237      0.25  
    15      15     0.3166     0.0959     0.9513
    16      16     0.0807     0.2848     0.25  
    17      17     0.5        0.0888     0.943 
    18      18     0.0        0.1134     0.75  
    19      19     0.0        0.0874     0.25  
    20       1     0.0        0.0        0.5   
    21       2     0.8788     0.859      0.75  
    22       3     0.5        0.8537     0.75  
    23       4     0.7846     0.0        0.5   
    24       5     0.6867     0.858      0.75  
    25       6     0.5918     0.0        0.5   
    26       7     0.5982     0.6472     0.75  
    27       8     0.8233     0.6661     0.75  
    28       9     0.0        0.6556     0.75  
    29      10     0.7756     0.9547     0.75  
    30      11     0.5969     0.953      0.75  
    31      12     0.5984     0.7644     0.75  
    32      13     0.8623     0.9001     0.4484
    33      14     0.7688     0.763      0.75  
    34      15     0.6834     0.9041     0.4513
    35      16     0.9194     0.7152     0.75  
    36      17     0.5        0.9112     0.443 
    37      18     0.0        0.8866     0.25  
    38      19     0.0        0.9126     0.75  
    39       2     0.8788     0.141      0.25  
    40       4     0.7846     0.0        0.0   
    41       5     0.6867     0.142      0.25  
    42       6     0.5918     0.0        0.0   
    43       7     0.5982     0.3528     0.25  
    44       8     0.8233     0.3339     0.25  
    45      10     0.7756     0.0453     0.25  
    46      11     0.5969     0.047      0.25  
    47      12     0.5984     0.2356     0.25  
    48      13     0.8623     0.0999     0.9484
    49      14     0.7688     0.237      0.25  
    50      15     0.6834     0.0959     0.9513
    51      16     0.9194     0.2848     0.25  
    52       2     0.1212     0.859      0.75  
    53       4     0.2154     0.0        0.5   
    54       5     0.3133     0.858      0.75  
    55       6     0.4082     0.0        0.5   
    56       7     0.4018     0.6472     0.75  
    57       8     0.1767     0.6661     0.75  
    58      10     0.2244     0.9547     0.75  
    59      11     0.4031     0.953      0.75  
    60      12     0.4016     0.7644     0.75  
    61      13     0.1377     0.9001     0.4484
    62      14     0.2312     0.763      0.75  
    63      15     0.3166     0.9041     0.4513
    64      16     0.0806     0.7152     0.75  
    65      13     0.1377     0.0999     0.5516
    66      15     0.3166     0.0959     0.5487
    67      17     0.5        0.0888     0.557 
    68      13     0.8623     0.9001     0.0516
    69      15     0.6834     0.9041     0.0487
    70      17     0.5        0.9112     0.057 
    71      13     0.8623     0.0999     0.5516
    72      15     0.6834     0.0959     0.5487
    73      13     0.1377     0.9001     0.0516
    74      15     0.3166     0.9041     0.0487
    75       1     0.5        0.5        0.5   
    76       2     0.3788     0.359      0.75  
    77       3     0.0        0.3537     0.75  
    78       4     0.2846     0.5        0.5   
    79       5     0.1867     0.358      0.75  
    80       6     0.0917     0.5        0.5   
    81       7     0.0982     0.1472     0.75  
    82       8     0.3233     0.1661     0.75  
    83       9     0.5        0.1556     0.75  
    84      10     0.2756     0.4547     0.75  
    85      11     0.0969     0.453      0.75  
    86      12     0.0984     0.2644     0.75  
    87      13     0.3623     0.4001     0.4484
    88      14     0.2688     0.263      0.75  
    89      15     0.1834     0.4041     0.4513
    90      16     0.4193     0.2152     0.75  
    91      17     0.0        0.4112     0.443 
    92      18     0.5        0.3866     0.25  
    93      19     0.5        0.4126     0.75  
    94       1     0.5        0.5        0.0   
    95       2     0.6212     0.641      0.25  
    96       3     0.0        0.6463     0.25  
    97       4     0.7154     0.5        0.0   
    98       5     0.8133     0.642      0.25  
    99       6     0.9082     0.5        0.0   
   100       7     0.9018     0.8528     0.25  
   101       8     0.6767     0.8339     0.25  
   102       9     0.5        0.8444     0.25  
   103      10     0.7244     0.5453     0.25  
   104      11     0.9031     0.547      0.25  
   105      12     0.9016     0.7356     0.25  
   106      13     0.6377     0.5999     0.9484
   107      14     0.7312     0.737      0.25  
   108      15     0.8166     0.5959     0.9513
   109      16     0.5806     0.7848     0.25  
   110      17     0.0        0.5888     0.943 
   111      18     0.5        0.6134     0.75  
   112      19     0.5        0.5874     0.25  
   113       2     0.6212     0.359      0.75  
   114       4     0.7154     0.5        0.5   
   115       5     0.8133     0.358      0.75  
   116       6     0.9082     0.5        0.5   
   117       7     0.9018     0.1472     0.75  
   118       8     0.6767     0.1661     0.75  
   119      10     0.7244     0.4547     0.75  
   120      11     0.9031     0.453      0.75  
   121      12     0.9016     0.2644     0.75  
   122      13     0.6377     0.4001     0.4484
   123      14     0.7312     0.263      0.75  
   124      15     0.8166     0.4041     0.4513
   125      16     0.5806     0.2152     0.75  
   126       2     0.3788     0.641      0.25  
   127       4     0.2846     0.5        0.0   
   128       5     0.1867     0.642      0.25  
   129       6     0.0918     0.5        0.0   
   130       7     0.0982     0.8528     0.25  
   131       8     0.3233     0.8339     0.25  
   132      10     0.2756     0.5453     0.25  
   133      11     0.0969     0.547      0.25  
   134      12     0.0984     0.7356     0.25  
   135      13     0.3623     0.5999     0.9484
   136      14     0.2688     0.737      0.25  
   137      15     0.1834     0.5959     0.9513
   138      16     0.4194     0.7848     0.25  
   139      13     0.3623     0.4001     0.0516
   140      15     0.1834     0.4041     0.0487
   141      17     0.0        0.4112     0.057 
   142      13     0.6377     0.5999     0.5516
   143      15     0.8166     0.5959     0.5487
   144      17     0.0        0.5888     0.557 
   145      13     0.6377     0.4001     0.0516
   146      15     0.8166     0.4041     0.0487
   147      13     0.3623     0.5999     0.5516
   148      15     0.1834     0.5959     0.5487


X-ray density (g/cm cub.)   =      3.26

MU (1/cm) =     101.401    Mass attenuation coefficient (cm**2/g) =     31.136

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

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

    1   Mg   ,Mg             2.568        4
                                                 2.2927      18
                                                 2.0656      19
                                                 2.2927      18
                                                 2.0656      19
    2    Mg                  2.568        6
                                                 2.1127      10
                                                 2.1204      13
                                                 2.2025      14
                                                 2.0826      16
                                                 2.0769      19
                                                 2.1204      13
    3    Mg                  2.568        6
                                                 2.0666      11
                                                 1.9979      12
                                                 2.2094      17
                                                 2.0666      11
                                                 1.9979      12
                                                 2.2094      17
    4    Al                  2.364        6
                                                 1.7976      10
                                                 1.8871      13
                                                 2.1151      15
                                                 1.7976      10
                                                 1.8871      13
                                                 2.1151      15
    5    Al                  2.364        6
                                                 1.9487      10
                                                 1.9434      11
                                                 1.9133      12
                                                 1.8537      14
                                                 2.1058      15
                                                 2.1058      15
    6    Al                  2.364        6
                                                 1.8021      11
                                                 2.0015      15
                                                 1.9487      17
                                                 1.8021      11
                                                 1.9487      17
                                                 2.0015      15
    7    Si                  2.148        4
                                                 1.6127      12
                                                 1.6121      13
                                                 1.6406      18
                                                 1.6121      13
    8    Si                  2.148        4
                                                 1.5938      14
                                                 1.6794      16
                                                 1.6654      15
                                                 1.6654      15
    9   B    ,Si             2.148        4
                                                 1.5303      16
                                                 1.5303      16
                                                 1.5897      17
                                                 1.5897      17
   10    O                   3.312       10
                                                 2.863       11
                                                 2.5695      13
                                                 2.6398      14
                                                 2.5874      15
                                                 2.7747      13
                                                 2.7898      15
                                                 2.5695      13
                                                 2.5874      15
                                                 2.7747      13
                                                 2.7898      15
   11    O                   3.312       11
                                                 2.863       10
                                                 2.5946      12
                                                 2.5311      15
                                                 2.6441      17
                                                 2.7531      17
                                                 3.1023      11
                                                 2.7607      15
                                                 2.5311      15
                                                 2.6441      17
                                                 2.7531      17
                                                 2.7607      15
   12    O                   3.312       10
                                                 2.5946      11
                                                 2.729       14
                                                 3.0951      15
                                                 3.2891      17
                                                 3.1507      12
                                                 3.0951      15
                                                 3.2891      17
                                                 2.7006      13
                                                 2.6071      18
                                                 2.7006      13
   13    O                   3.312        9
                                                 2.5695      10
                                                 3.1481      14
                                                 2.8657      15
                                                 2.5833      18
                                                 2.9999      19
                                                 2.7747      10
                                                 2.6665      13
                                                 2.8358      13
                                                 2.7006      12
   14    O                   3.312        9
                                                 2.6398      10
                                                 2.729       12
                                                 3.1481      13
                                                 3.1086      15
                                                 2.5         16
                                                 3.1481      13
                                                 3.1086      15
                                                 2.7745      15
                                                 2.7745      15
   15    O                   3.312       12
                                                 2.5874      10
                                                 2.5311      11
                                                 3.0951      12
                                                 2.8657      13
                                                 3.1086      14
                                                 2.9401      17
                                                 2.7898      10
                                                 2.7607      11
                                                 2.7048      15
                                                 2.72        15
                                                 2.7745      14
                                                 2.6892      16
   16    O                   3.312        7
                                                 2.5         14
                                                 3.0079      19
                                                 2.5834      16
                                                 2.6892      15
                                                 2.5253      17
                                                 2.6892      15
                                                 2.5253      17
   17    O                   3.312       12
                                                 2.6441      11
                                                 3.2891      12
                                                 2.9401      15
                                                 2.7531      11
                                                 2.6441      11
                                                 3.2891      12
                                                 2.9401      15
                                                 2.7531      11
                                                 2.5943      17
                                                 2.5598      17
                                                 2.5253      16
                                                 2.5253      16
   18    O                   3.312        7
                                                 2.5833      13
                                                 2.7619      19
                                                 2.5833      13
                                                 2.5833      13
                                                 2.5833      13
                                                 2.6071      12
                                                 2.6071      12
   19    OH                  3.36         7
                                                 2.9999      13
                                                 3.0079      16
                                                 2.7619      18
                                                 2.9999      13
                                                 3.0079      16
                                                 2.9999      13
                                                 2.9999      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  4.233   8.466   0.048  364.14    4       83.3      460.4
    2   2   0   0  5.52   11.039   0.062  213.19    2       73.0      103.6
    3   0   2   0  6.429  12.858   0.073  156.54    2      118.0      198.7
    4   1   1   1  7.836  15.671   0.088  104.66    8       16.1        9.8
    5   2   2   0  8.489  16.978   0.096   88.84    4       33.7       18.4
    6   3   1   0  8.903  17.806   0.1     80.57    4       25.0        9.2
    7   0   2   1  9.221  18.442   0.104   74.96    4       25.9        9.2
    8   1   3   0 10.062  20.124   0.113   62.61    4       33.4       12.8
    9   2   2   1 10.772  21.543   0.121   54.36    8       53.1       55.8
   10   4   0   0 11.092  22.183   0.125   51.14    2      122.1       69.5
   11   3   1   1 11.104  22.208   0.125   51.02    8       42.4       33.5
   12   1   3   1 12.061  24.123   0.136   42.93    8       37.2       21.7
   13   3   3   0 12.793  25.586   0.144   37.93    4       62.4       26.9
   14   4   2   0 12.861  25.723   0.144   37.5     4       57.5       22.6
   15   0   4   0 12.941  25.882   0.145   37.02    2      202.2      138.0
   16   0   0   2 13.253  26.506   0.149   35.2     2      324.8      338.7
   17   1   1   2 13.936  27.872   0.156   31.64    8       52.6       32.0
   18   2   4   0 14.107  28.214   0.158   30.83    4       62.8       22.2
   19   5   1   0 14.294  28.589   0.16    29.98    4       49.9       13.6
   20   2   0   2 14.395  28.791   0.161   29.53    4       60.1       19.4
   21   3   3   1 14.438  28.876   0.162   29.35    8       22.1        5.2
   22   4   2   1 14.5    28.999   0.163   29.08    8       45.0       21.5
   23   0   4   1 14.571  29.142   0.163   28.78    4      110.9       64.6
   24   0   2   2 14.782  29.563   0.166   27.91    4      396.2      799.2
   25   2   4   1 15.625  31.25    0.175   24.77    8        8.8        0.7
   26   5   1   1 15.796  31.592   0.177   24.2     8       96.7       82.6
   27   2   2   2 15.823  31.646   0.177   24.11    8       39.9       14.0
   28   3   1   2 16.057  32.115   0.18    23.36    8       78.0       51.8
   29   1   5   0 16.501  33.003   0.184   22.02    4      140.4       79.2
   30   1   3   2 16.752  33.505   0.187   21.31    8       51.4       20.5
   31   6   0   0 16.772  33.544   0.187   21.26    2       51.8        5.2
   32   5   3   0 17.057  34.114   0.19    20.49    4      478.0      854.0
   33   4   4   0 17.172  34.343   0.192   20.19    4       98.6       35.8
   34   4   0   2 17.414  34.828   0.194   19.59    4       31.6        3.6
   35   1   5   1 17.836  35.672   0.199   18.59    8        9.4        0.6
   36   6   2   0 18.031  36.062   0.201   18.15    4        1.7        0.0
   37   5   3   1 18.356  36.712   0.204   17.45    8       37.3        8.9
   38   3   5   0 18.357  36.714   0.204   17.45    4        0.6        0.0
   39   4   4   1 18.464  36.928   0.206   17.23    8       21.4        2.9
   40   3   3   2 18.586  37.172   0.207   16.98    8       22.2        3.1
   41   4   2   2 18.635  37.27    0.207   16.88    8       50.6       15.7
   42   0   4   2 18.692  37.384   0.208   16.77    4      196.2      117.8
   43   6   2   1 19.273  38.546   0.214   15.67    8       19.3        2.1
   44   2   4   2 19.549  39.097   0.217   15.19    8       51.9       14.9
   45   3   5   1 19.581  39.163   0.218   15.13    8       41.5        9.5
   46   0   6   0 19.629  39.258   0.218   15.05    2       99.9       13.7
   47   5   1   2 19.69   39.379   0.219   14.95    8      111.1       67.3
   48   7   1   0 19.955  39.91    0.222   14.51    4       35.6        3.4
   49   2   6   0 20.452  40.905   0.227   13.73    4       25.1        1.6
   50   1   1   3 20.592  41.184   0.228   13.53    8       25.3        3.2
   51   0   6   1 20.79   41.58    0.23    13.24    4       51.1        6.3
   52   7   1   1 21.101  42.203   0.234   12.81    8        1.2        0.0
   53   0   2   3 21.201  42.403   0.235   12.67    4      199.6       92.1
   54   1   5   2 21.408  42.817   0.237   12.4     8       85.9       33.4
   55   6   4   0 21.424  42.849   0.237   12.38    4      370.6      310.1
   56   2   6   1 21.577  43.153   0.239   12.18    8        9.5        0.4
   57   6   0   2 21.626  43.252   0.239   12.12    4       53.4        6.3
   58   5   5   0 21.657  43.313   0.24    12.08    4      305.5      205.8
   59   5   3   2 21.856  43.713   0.242   11.84    8      107.4       49.8
   60   4   4   2 21.95   43.899   0.243   11.72    8        0.7        0.0
   61   2   2   3 21.976  43.952   0.243   11.69    8       60.1       15.4
   62   7   3   0 22.101  44.201   0.244   11.54    4       52.8        5.9
   63   3   1   3 22.154  44.308   0.245   11.48    8       57.4       13.8
   64   6   4   1 22.509  45.019   0.249   11.08    8       72.0       21.0
   65   8   0   0 22.629  45.257   0.25    10.94    2       78.6        6.2
   66   6   2   2 22.655  45.31    0.25    10.92    8       51.0       10.4
   67   1   3   3 22.688  45.376   0.25    10.88    8       53.6       11.4
   68   5   5   1 22.733  45.466   0.251   10.83    8      125.2       61.9
   69   4   6   0 22.775  45.55    0.251   10.79    4       43.8        3.8
   70   3   5   2 22.926  45.851   0.253   10.63    8        3.7        0.1
   71   7   3   1 23.16   46.321   0.255   10.38    8       44.9        7.6
   72   1   7   0 23.257  46.514   0.256   10.29    4       54.2        5.5
   73   8   2   0 23.623  47.246   0.26     9.93    4       25.6        1.2
   74   4   6   1 23.811  47.623   0.262    9.75    8       19.8        1.4
   75   0   6   2 23.998  47.995   0.264    9.58    4      109.6       21.0
   76   3   3   3 24.142  48.284   0.265    9.45    8       20.7        1.5
   77   4   2   3 24.182  48.363   0.266    9.42    8        5.7        0.1
   78   0   4   3 24.228  48.456   0.266    9.38    4      216.1       79.9
   79   7   1   2 24.276  48.552   0.267    9.33    8        9.7        0.3
   80   1   7   1 24.277  48.555   0.267    9.33    8       18.7        1.2
   81   8   2   1 24.632  49.264   0.271    9.03    8       54.1        9.6
   82   3   7   0 24.685  49.37    0.271    8.99    4       22.9        0.9
   83   2   6   2 24.703  49.406   0.271    8.97    8        8.0        0.2
   84   2   4   3 24.929  49.858   0.274    8.79    8        3.1        0.0
   85   5   1   3 25.045  50.09    0.275    8.69    8        7.6        0.2
   86   6   4   2 25.547  51.094   0.28     8.31    8       33.4        3.4
   87   3   7   1 25.663  51.326   0.281    8.23    8       53.9        8.7
   88   5   5   2 25.75   51.501   0.282    8.16    8      186.4      103.4
   89   9   1   0 25.878  51.756   0.283    8.07    4      160.2       37.8
   90   7   5   0 25.966  51.933   0.284    8.01    4       87.7       11.2
   91   7   3   2 26.141  52.281   0.286    7.89    8       21.0        1.3
   92   6   6   0 26.286  52.572   0.287    7.79    4       54.2        4.2
   93   8   4   0 26.435  52.87    0.289    7.69    4       48.5        3.3
   94   1   5   3 26.488  52.977   0.29     7.65    8        6.7        0.1
   95   8   0   2 26.607  53.215   0.291    7.58    4       49.2        3.4
   96   0   8   0 26.609  53.218   0.291    7.57    2      253.8       44.5
   97   4   6   2 26.737  53.475   0.292    7.49    8       98.1       26.3
   98   9   1   1 26.824  53.649   0.293    7.44    8       38.6        4.0
   99   5   3   3 26.871  53.742   0.293    7.41    8      100.5       27.3
  100   7   5   1 26.911  53.821   0.294    7.38    8       94.3       23.9
  101   4   4   3 26.951  53.902   0.294    7.36    8       33.3        3.0
  102   1   7   2 27.167  54.333   0.296    7.22    8       67.5       12.0
  103   6   6   1 27.222  54.445   0.297    7.19    8       92.1       22.3
  104   2   8   0 27.265  54.531   0.297    7.17    4       21.7        0.6
  105   0   0   4 27.29   54.581   0.298    7.15    2      658.1      282.5
  106   8   4   1 27.368  54.736   0.298    7.1     8       45.3        5.3
  107   5   7   0 27.375  54.749   0.298    7.1     4      138.4       24.8
  108   8   2   2 27.494  54.989   0.3      7.03    8       27.4        1.9
  109   0   8   1 27.538  55.076   0.3      7.01    4       58.3        4.3
  110   6   2   3 27.559  55.118   0.3      6.99    8      110.5       31.2
  111   9   3   0 27.665  55.329   0.301    6.93    4       94.9       11.4
  112   1   1   4 27.672  55.343   0.301    6.93    8       34.9        3.1
  113   3   5   3 27.794  55.588   0.303    6.86    8       29.0        2.1
  114   2   0   4 27.936  55.871   0.304    6.78    4       37.2        1.7
  115   0   2   4 28.163  56.325   0.306    6.66    4       33.8        1.4
  116   2   8   1 28.18   56.359   0.307    6.65    8        8.2        0.2
  117   5   7   1 28.286  56.573   0.308    6.59    8       49.7        5.9
  118   3   7   2 28.451  56.903   0.309    6.51    8        0.2        0.0
  119   9   3   1 28.57   57.14    0.31     6.44    8       17.2        0.7
  120   0   6   3 28.733  57.466   0.312    6.36    4       46.1        2.5
  121  10   0   0 28.747  57.494   0.312    6.35    2      371.0       79.8
  122   2   2   4 28.795  57.59    0.313    6.33    8       22.3        1.2
  123   3   1   4 28.941  57.883   0.314    6.26    8        3.4        0.0
  124   7   1   3 28.979  57.957   0.314    6.24    8       36.0        3.0
  125   4   8   0 29.174  58.349   0.316    6.15    4       44.6        2.2
  126   2   6   3 29.357  58.715   0.318    6.06    8       15.8        0.6
  127   1   3   4 29.384  58.768   0.318    6.05    8       23.4        1.2
  128   9   1   2 29.538  59.076   0.32     5.98    8       62.1        8.4
  129  10   2   0 29.591  59.182   0.321    5.95    4       66.6        4.8
  130   7   5   2 29.619  59.238   0.321    5.94    8       26.0        1.5
  131   4   0   4 29.816  59.633   0.323    5.85    4       63.7        4.3
  132   6   6   2 29.912  59.824   0.324    5.81    8      245.3      127.6
  133   8   4   2 30.049  60.099   0.325    5.75    8        5.7        0.1
  134   4   8   1 30.051  60.101   0.325    5.75    8        1.5        0.0
  135   6   4   3 30.111  60.221   0.326    5.73    8       24.5        1.3
  136   0   8   2 30.209  60.419   0.327    5.68    4       47.7        2.4
  137   5   5   3 30.293  60.586   0.327    5.65    8       74.4       11.4
  138   1   9   0 30.41   60.819   0.329    5.6     4        1.5        0.0
  139  10   2   1 30.46   60.92    0.329    5.58    8        4.8        0.0
  140   3   3   4 30.608  61.217   0.331    5.52    8       49.1        4.9
  141   4   2   4 30.642  61.285   0.331    5.51    8       39.0        3.1
  142   7   3   3 30.644  61.289   0.331    5.51    8       74.1       11.0
  143   0   4   4 30.682  61.364   0.331    5.49    4       53.0        2.8
  144   8   6   0 30.715  61.43    0.332    5.48    4       70.5        5.0
  145   2   8   2 30.815  61.631   0.333    5.44    8       49.2        4.8
  146   5   7   2 30.917  61.833   0.334    5.4     8      448.8      396.7
  147   9   5   0 31.03   62.06    0.335    5.36    4        9.0        0.1
  148   7   7   0 31.108  62.217   0.335    5.33    4       55.7        3.0
  149   4   6   3 31.184  62.368   0.336    5.3     8       44.1        3.8
  150   9   3   2 31.185  62.371   0.336    5.3     8      147.2       41.9
  151   1   9   1 31.265  62.53    0.337    5.27    8       94.8       17.3
  152   2   4   4 31.282  62.565   0.337    5.26    8       47.6        4.3
  153   5   1   4 31.383  62.766   0.338    5.22    8       26.2        1.3
  154   8   6   1 31.565  63.131   0.34     5.16    8       49.9        4.7
  155   1   7   3 31.574  63.148   0.34     5.15    8       22.6        1.0
  156   3   9   0 31.61   63.221   0.34     5.14    4       43.6        1.8
  157   8   2   3 31.873  63.746   0.343    5.05    8       67.0        8.3
  158   9   5   1 31.876  63.751   0.343    5.05    8       54.9        5.6
  159   7   7   1 31.953  63.906   0.344    5.02    8       23.0        1.0
  160  10   4   0 32.041  64.082   0.344    4.99    4       38.7        1.4
  161  11   1   0 32.14   64.28    0.345    4.96    4      306.5       85.0
  162  10   0   2 32.194  64.388   0.346    4.94    4      135.2       16.5
  163   6   8   0 32.196  64.391   0.346    4.94    4       65.7        3.9
  164   3   9   1 32.448  64.895   0.348    4.86    8        8.3        0.1
  165   4   8   2 32.594  65.188   0.35     4.81    8       12.9        0.3
  166   1   5   4 32.64   65.279   0.35     4.8     8      101.2       17.9
  167   3   7   3 32.751  65.501   0.351    4.76    8       25.1        1.1
  168   6   0   4 32.803  65.606   0.352    4.75    4       38.0        1.2
  169  10   4   1 32.872  65.745   0.352    4.72    8       42.2        3.1
  170  11   1   1 32.97   65.94    0.353    4.69    8       80.7       11.2
  171   5   3   4 32.977  65.953   0.353    4.69    8      336.1      193.3
  172  10   2   2 32.986  65.971   0.353    4.69    8      131.9       29.8
  173   6   8   1 33.025  66.049   0.354    4.68    8       25.6        1.1
  174   4   4   4 33.047  66.095   0.354    4.67    8       53.2        4.8
  175   6   2   4 33.587  67.174   0.359    4.51    8       49.0        4.0
  176  11   3   0 33.715  67.43    0.36     4.48    4       38.3        1.2
  177   9   1   3 33.755  67.511   0.361    4.47    8       31.3        1.6
  178   1   9   2 33.757  67.514   0.361    4.47    8       48.5        3.8
  179   3   5   4 33.796  67.593   0.361    4.45    8       19.1        0.6
  180   7   5   3 33.83   67.661   0.361    4.44    8       90.1       13.2
  181   5   9   0 33.94   67.881   0.362    4.41    4      186.1       27.9
  182   8   6   2 34.046  68.092   0.363    4.39    8       26.6        1.1
  183   0  10   0 34.047  68.095   0.363    4.39    2       31.7        0.4
  184   6   6   3 34.103  68.206   0.364    4.37    8      122.6       24.0
  185   8   4   3 34.231  68.462   0.365    4.34    8       23.3        0.9
  186   9   5   2 34.344  68.688   0.366    4.31    8       37.9        2.3
  187   0   8   3 34.38   68.761   0.367    4.3     4       95.7        7.2
  188   7   7   2 34.419  68.838   0.367    4.29    8       19.4        0.6
  189  11   3   1 34.526  69.051   0.368    4.26    8       26.6        1.1
  190   2  10   0 34.616  69.233   0.369    4.24    4        3.7        0.0
  191   0   6   4 34.638  69.276   0.369    4.23    4      208.2       33.5
  192   5   9   1 34.748  69.497   0.37     4.21    8       25.1        1.0
  193   0  10   1 34.854  69.709   0.371    4.18    4      121.1       11.2
  194   7   1   4 34.86   69.72    0.371    4.18    8        2.4        0.0
  195   3   9   2 34.896  69.791   0.371    4.17    8       11.7        0.2
  196   2   8   3 34.947  69.894   0.372    4.16    8        6.5        0.1
  197   5   7   3 35.042  70.083   0.373    4.13    8      127.3       24.4
  198   2   6   4 35.203  70.406   0.374    4.1     8       26.7        1.1
  199  12   0   0 35.249  70.498   0.375    4.09    2      141.8        7.5
  200   9   3   3 35.294  70.588   0.375    4.08    8       18.2        0.5
  201   1   1   5 35.3    70.6     0.375    4.07    8        8.8        0.1
  202  10   4   2 35.306  70.612   0.375    4.07    8      196.6       57.4
  203  11   1   2 35.4    70.801   0.376    4.05    8       64.3        6.1
  204   2  10   1 35.417  70.835   0.376    4.05    8       76.2        8.6
  205   6   8   2 35.453  70.906   0.377    4.04    8       47.5        3.3
  206   9   7   0 35.726  71.453   0.379    3.98    4      114.8        9.6
  207   0   2   5 35.73   71.459   0.379    3.98    4       83.5        5.1
  208   6   4   4 35.889  71.778   0.381    3.94    8      201.1       58.2
  209  10   6   0 35.919  71.839   0.381    3.94    4      138.3       13.7
  210  12   2   0 36.008  72.016   0.382    3.92    4       43.1        1.3
  211   5   5   4 36.056  72.111   0.382    3.91    8      150.7       32.4
  212   8   8   0 36.19   72.381   0.383    3.88    4       45.2        1.4
  213   2   2   5 36.287  72.574   0.384    3.86    8       13.4        0.3
  214   4  10   0 36.3    72.599   0.384    3.86    4       35.2        0.9
  215   7   3   4 36.378  72.755   0.385    3.84    8       20.8        0.6
  216   3   1   5 36.417  72.833   0.385    3.83    8       19.0        0.5
  217   9   7   1 36.517  73.034   0.386    3.81    8       36.6        1.9
  218   4   8   3 36.623  73.247   0.387    3.79    8       29.6        1.2
  219  10   6   1 36.708  73.416   0.388    3.78    8       22.0        0.7
  220  11   5   0 36.765  73.53    0.389    3.76    4       39.2        1.1
  221   8   0   4 36.766  73.532   0.389    3.76    4       24.8        0.4
  222  12   2   1 36.796  73.592   0.389    3.76    8       98.4       13.3
  223   1   3   5 36.81   73.62    0.389    3.76    8       12.6        0.2
  224   4   6   4 36.875  73.749   0.39     3.74    8       44.4        2.7
  225  11   3   2 36.909  73.817   0.39     3.74    8      152.7       31.8
  226   8   8   1 36.977  73.954   0.39     3.72    8       12.7        0.2
  227  10   2   3 36.995  73.99    0.391    3.72    8       15.6        0.3
  228   4  10   1 37.085  74.17    0.391    3.7     8       19.9        0.5
  229   5   9   2 37.125  74.251   0.392    3.7     8       52.0        3.6
  230   0  10   2 37.228  74.457   0.393    3.68    4      447.1      134.1
  231   1   7   4 37.235  74.47    0.393    3.68    8       15.5        0.3
  232   7   9   0 37.301  74.603   0.393    3.66    4       85.8        4.9
  233   8   2   4 37.512  75.025   0.395    3.63    8        9.8        0.1
  234  11   5   1 37.547  75.094   0.396    3.62    8       21.9        0.6
  235   1   9   3 37.73   75.46    0.397    3.59    8       59.3        4.6
  236   2  10   2 37.777  75.555   0.398    3.58    8       71.4        6.7
  237   3   3   5 37.909  75.818   0.399    3.56    8       21.7        0.6
  238   4   2   5 37.94   75.88    0.399    3.55    8       45.3        2.7
  239   0   4   5 37.976  75.951   0.399    3.55    4       13.0        0.1
  240   8   6   3 38.006  76.011   0.4      3.54    8       34.6        1.5
  241   7   9   1 38.079  76.159   0.4      3.53    8       36.3        1.7
  242   1  11   0 38.151  76.303   0.401    3.52    4       27.9        0.5
  243  12   4   0 38.248  76.495   0.402    3.5     4       24.7        0.4
  244   9   5   3 38.291  76.582   0.402    3.5     8       43.0        2.4
  245   3   7   4 38.33   76.66    0.403    3.49    8       27.5        1.0
  246   7   7   3 38.363  76.725   0.403    3.49    8       16.7        0.4
  247  12   0   2 38.389  76.778   0.403    3.48    4      107.9        7.4
  248   2   4   5 38.521  77.042   0.404    3.46    8        7.1        0.1
  249   5   1   5 38.612  77.224   0.405    3.45    8       78.5        7.7
  250   3   9   3 38.82   77.64    0.407    3.42    8       12.0        0.2
  251   9   7   2 38.852  77.703   0.407    3.41    8       45.1        2.5
  252  13   1   0 38.883  77.766   0.407    3.41    4       37.2        0.9
  253   1  11   1 38.924  77.847   0.408    3.4     8       12.9        0.2
  254  12   4   1 39.019  78.039   0.409    3.39    8       76.3        7.2
  255  10   6   2 39.039  78.078   0.409    3.38    8        2.3        0.0
  256   6  10   0 39.04   78.081   0.409    3.38    4       24.8        0.4
  257  12   2   2 39.125  78.25    0.41     3.37    8       57.6        4.1
  258  10   4   3 39.215  78.429   0.41     3.36    8       53.5        3.5
  259   3  11   0 39.238  78.476   0.411    3.36    4       27.7        0.5
  260   9   1   4 39.273  78.547   0.411    3.35    8      119.0       17.3
  261   8   8   2 39.302  78.604   0.411    3.35    8       56.7        3.9
  262  11   1   3 39.306  78.611   0.411    3.35    8      138.0       23.2
  263   7   5   4 39.344  78.689   0.412    3.34    8       42.7        2.2
  264   6   8   3 39.356  78.713   0.412    3.34    8       61.5        4.6
  265   4  10   2 39.408  78.817   0.412    3.33    8       76.0        7.0
  266   6   6   4 39.602  79.204   0.414    3.31    8       12.3        0.2
  267  13   1   1 39.651  79.302   0.414    3.3     8       36.3        1.6
  268   8   4   4 39.723  79.445   0.415    3.29    8       22.6        0.6
  269   1   5   5 39.766  79.531   0.415    3.28    8       17.4        0.4
  270   6  10   1 39.808  79.615   0.416    3.28    8       51.0        3.1
  271  11   5   2 39.862  79.724   0.416    3.27    8       64.1        4.9
  272   0   8   4 39.864  79.728   0.416    3.27    4      185.6       20.6
  273   3  11   1 40.004  80.008   0.417    3.25    8       16.7        0.3
  274   5   3   5 40.078  80.155   0.418    3.25    8       62.8        4.7
  275   4   4   5 40.143  80.286   0.418    3.24    8        9.4        0.1
  276  13   3   0 40.346  80.691   0.42     3.21    4       31.0        0.6
  277   7   9   2 40.385  80.77    0.421    3.21    8       48.5        2.7
  278   2   8   4 40.402  80.804   0.421    3.21    8        8.2        0.1
  279   5   7   4 40.492  80.984   0.421    3.2     8      130.9       20.0
  280   6   2   5 40.645  81.29    0.423    3.18    8       43.7        2.2
  281   9   3   4 40.732  81.465   0.424    3.17    8       71.9        6.0
  282  11   3   3 40.764  81.529   0.424    3.16    8      138.3       22.1
  283   3   5   5 40.84   81.681   0.424    3.16    8       24.8        0.7
  284   5   9   3 40.975  81.95    0.426    3.14    8       42.6        2.1
  285   0  10   3 41.075  82.15    0.427    3.13    4       78.7        3.5
  286  10   8   0 41.087  82.175   0.427    3.13    4      121.7        8.5
  287  13   3   1 41.107  82.214   0.427    3.13    8       24.4        0.7
  288  11   7   0 41.177  82.355   0.427    3.12    4       63.1        2.3
  289   1  11   2 41.217  82.433   0.428    3.12    8       49.1        2.7
  290  12   4   2 41.311  82.622   0.429    3.11    8       24.4        0.7
  291   5  11   0 41.388  82.775   0.429    3.1     4       82.8        3.9
  292   2  10   3 41.61   83.219   0.431    3.08    8       74.3        6.2
  293   9   9   0 41.627  83.254   0.431    3.07    4        1.5        0.0
  294   0   6   5 41.63   83.26    0.431    3.07    4       49.1        1.4
  295  10   0   4 41.642  83.284   0.431    3.07    4      271.0       41.2
  296   7   1   5 41.839  83.679   0.433    3.05    8        2.8        0.0
  297  10   8   1 41.846  83.692   0.433    3.05    8        4.0        0.0
  298  12   6   0 41.896  83.792   0.433    3.05    4       23.0        0.3
  299  13   1   2 41.935  83.869   0.434    3.04    8        1.4        0.0
  300  11   7   1 41.936  83.871   0.434    3.04    8        7.8        0.1
  301   4   8   4 42.006  84.013   0.434    3.04    8       22.0        0.5
  302   6  10   2 42.089  84.179   0.435    3.03    8       13.6        0.2
  303   5  11   1 42.145  84.29    0.436    3.03    8       79.1        6.9
  304   2   6   5 42.163  84.327   0.436    3.02    8        5.1        0.0
  305   0  12   0 42.21   84.421   0.436    3.02    2      161.9        7.2
  306   3  11   2 42.284  84.568   0.437    3.01    8       77.4        6.6
  307  14   0   0 42.324  84.648   0.437    3.01    2       19.0        0.1
  308  10   2   4 42.365  84.729   0.437    3.01    8       45.1        2.2
  309   9   9   1 42.384  84.768   0.438    3.0     8        2.5        0.0
  310  12   6   1 42.652  85.304   0.44     2.98    8       33.7        1.2
  311   9   7   3 42.66   85.32    0.44     2.98    8       41.8        1.9
  312   2  12   0 42.742  85.485   0.441    2.97    4       28.1        0.4
  313   8  10   0 42.792  85.584   0.441    2.97    4       27.2        0.4
  314   6   4   5 42.815  85.629   0.441    2.97    8       67.6        4.9
  315  10   6   3 42.844  85.688   0.441    2.97    8       23.0        0.6
  316  12   2   3 42.928  85.856   0.442    2.96    8       78.1        6.6
  317   0  12   1 42.966  85.932   0.442    2.96    4      100.8        5.5
  318   5   5   5 42.974  85.948   0.442    2.96    8       64.4        4.5
  319  14   2   0 43.045  86.089   0.443    2.95    4       88.6        4.2
  320   1   9   4 43.076  86.151   0.443    2.95    8        3.4        0.0
  321   8   8   3 43.102  86.205   0.444    2.95    8        3.5        0.0
  322   4  10   3 43.207  86.414   0.444    2.94    8       31.3        1.0
  323  13   5   0 43.238  86.477   0.445    2.94    4       30.2        0.5
  324   7   3   5 43.281  86.563   0.445    2.93    8       10.3        0.1
  325   8   6   4 43.344  86.687   0.446    2.93    8       40.9        1.8
  326  13   3   2 43.376  86.753   0.446    2.93    8       36.7        1.4
  327   0   0   6 43.452  86.905   0.446    2.92    2      264.6       18.7
  328   2  12   1 43.497  86.994   0.447    2.92    8       51.6        2.8
  329   8  10   1 43.546  87.093   0.447    2.91    8       18.7        0.4
  330   9   5   4 43.621  87.243   0.448    2.91    8       11.8        0.1
  331  11   5   3 43.653  87.306   0.448    2.91    8        8.1        0.1
  332   7   7   4 43.691  87.382   0.448    2.9     8       45.2        2.2
  333   4   6   5 43.758  87.516   0.449    2.9     8        6.7        0.0
  334   1   1   6 43.765  87.53    0.449    2.9     8       18.2        0.4
  335  14   2   1 43.799  87.597   0.449    2.9     8       23.5        0.6
  336   2   0   6 43.983  87.966   0.451    2.89    4       16.9        0.2
  337  13   5   1 43.992  87.984   0.451    2.88    8       56.7        3.4
  338   1   7   5 44.105  88.21    0.452    2.88    8       10.4        0.1
  339  10   8   2 44.111  88.221   0.452    2.88    8       10.9        0.1
  340   3   9   4 44.137  88.275   0.452    2.88    8       29.9        0.9
  341   7   9   3 44.169  88.338   0.452    2.87    8       24.7        0.6
  342   0   2   6 44.171  88.343   0.452    2.87    4      165.7       14.4
  343  11   7   2 44.2    88.399   0.453    2.87    8       10.8        0.1
  344   4  12   0 44.335  88.67    0.454    2.86    4       25.1        0.3
  345   8   2   5 44.372  88.745   0.454    2.86    8       26.5        0.7
  346   5  11   2 44.408  88.817   0.454    2.86    8        5.6        0.0
  347  10   4   4 44.523  89.047   0.455    2.85    8       27.6        0.8
  348   7  11   0 44.578  89.156   0.456    2.85    4       11.3        0.1
  349  11   1   4 44.613  89.225   0.456    2.85    8      175.4       32.0
  350   9   9   2 44.646  89.292   0.456    2.85    8       72.6        5.5
  351   6   8   4 44.662  89.325   0.456    2.85    8       58.5        3.6
  352   2   2   6 44.702  89.403   0.457    2.84    8       23.5        0.6
  353   3   1   6 44.825  89.651   0.458    2.84    8       21.6        0.5
  354  12   6   2 44.913  89.826   0.458    2.83    8       38.5        1.5
  355   1  11   3 44.992  89.983   0.459    2.83    8       24.9        0.6


  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   4.233   8.466 10.43619      460.4     53.9     54.9     5.6
    2   2   0   0   5.52   11.039  8.008        103.6     12.1     12.3     5.6
    3   0   2   0   6.429  12.858  6.879        198.7     23.3     23.6     5.6
    4   1   1   1   7.836  15.671  5.65           9.8      1.2      1.2     5.6
    5   2   2   0   8.489  16.978  5.21809       18.4      2.2      2.2     5.6
    6   3   1   0   8.903  17.806  4.97709        9.2      1.1      1.1     5.6
    7   0   2   1   9.221  18.442  4.80699        9.2      1.1      1.1     5.6
    8   1   3   0  10.062  20.124  4.40882       12.8      1.5      1.5     5.6
    9   2   2   1  10.772  21.543  4.12146       55.8      6.5      6.6     5.6
   10   4   0   0  11.092  22.183  4.004        103.0     12.1     12.2     5.6
   11   1   3   1  12.061  24.123  3.68628       21.7      2.5      2.6     5.6
   12   3   3   0  12.793  25.586  3.47873       26.9      3.2      3.2     5.6
   13   4   2   0  12.861  25.723  3.46048       22.6      2.7      2.7     5.6
   14   0   4   0  12.941  25.882  3.4395       138.0     16.2     16.3     5.6
   15   0   0   2  13.253  26.506  3.36         338.7     39.7     39.9     5.6
   16   1   1   2  13.936  27.872  3.19832       32.0      3.7      3.8     5.6
   17   2   4   0  14.107  28.214  3.16033       22.2      2.6      2.6     5.6
   18   5   1   0  14.294  28.589  3.11976       13.6      1.6      1.6     5.6
   19   2   0   2  14.395  28.791  3.09832       19.4      2.3      2.3     5.6
   20   4   2   1  14.5    28.999  3.07653       21.5      2.5      2.5     5.6
   21   0   4   1  14.571  29.142  3.06176       64.6      7.6      7.6     5.6
   22   0   2   2  14.782  29.563  3.0191       799.2     93.6     93.9     5.6
   23   5   1   1  15.796  31.592  2.82969       96.6     11.3     11.3     5.6
   24   3   1   2  16.057  32.115  2.78481       51.8      6.1      6.1     5.6
   25   1   5   0  16.501  33.003  2.71187       79.2      9.3      9.3     5.6
   26   1   3   2  16.752  33.505  2.67239       25.7      3.0      3.0     5.7
   27   5   3   0  17.057  34.114  2.62605      854.0    100.0    100.0     5.7
   28   4   4   0  17.172  34.343  2.60905       35.8      4.2      4.2     5.7
   29   5   3   1  18.356  36.712  2.44592        8.9      1.0      1.0     5.7
   30   4   2   2  18.635  37.27   2.41062       15.7      1.8      1.8     5.7
   31   0   4   2  18.692  37.384  2.40349      117.8     13.8     13.8     5.7
   32   2   4   2  19.549  39.097  2.30204       14.9      1.7      1.7     5.7
   33   3   5   1  19.581  39.163  2.29835        9.5      1.1      1.1     5.7
   34   0   6   0  19.629  39.258  2.293         13.7      1.6      1.6     5.7
   35   5   1   2  19.69   39.379  2.28622       67.3      7.9      7.8     5.7
   36   0   2   3  21.201  42.403  2.12992       92.1     10.8     10.7     5.7
   37   6   4   0  21.424  42.849  2.10878      343.5     40.2     39.9     5.7
   38   5   5   0  21.657  43.313  2.08724      205.8     24.1     23.9     5.7
   39   5   3   2  21.856  43.713  2.06908       49.8      5.8      5.8     5.7
   40   2   2   3  21.976  43.952  2.05836       15.4      1.8      1.8     5.7
   41   3   1   3  22.154  44.308  2.04266       13.8      1.6      1.6     5.7
   42   6   4   1  22.509  45.019  2.01204       21.0      2.5      2.4     5.7
   43   6   2   2  22.655  45.31   1.99979       16.5      1.9      1.9     5.7
   44   1   3   3  22.688  45.376  1.99703       11.4      1.3      1.3     5.7
   45   5   5   1  22.733  45.466  1.9933        61.9      7.2      7.2     5.7
   46   0   6   2  23.998  47.995  1.89399       21.0      2.5      2.4     5.7
   47   0   4   3  24.228  48.456  1.87703       79.9      9.4      9.2     5.7
   48   8   2   1  24.632  49.264  1.84812        9.6      1.1      1.1     5.7
   49   3   7   1  25.663  51.326  1.77863        8.7      1.0      1.0     5.8
   50   5   5   2  25.75   51.501  1.77299      103.4     12.1     11.9     5.8
   51   9   1   0  25.878  51.756  1.76485       37.8      4.4      4.3     5.8
   52   7   5   0  25.966  51.933  1.75926       11.2      1.3      1.3     5.8
   53   0   8   0  26.609  53.218  1.71975       47.9      5.6      5.5     5.8
   54   4   6   2  26.737  53.475  1.71211       26.3      3.1      3.0     5.8
   55   5   3   3  26.871  53.742  1.70422       27.3      3.2      3.1     5.8
   56   7   5   1  26.911  53.821  1.70191       23.9      2.8      2.7     5.8
   57   1   7   2  27.167  54.333  1.68706       12.0      1.4      1.4     5.8
   58   6   6   1  27.222  54.445  1.68387       22.3      2.6      2.5     5.8
   59   0   0   4  27.29   54.581  1.68         282.5     33.1     32.3     5.8
   60   5   7   0  27.375  54.749  1.67522       30.1      3.5      3.4     5.8
   61   6   2   3  27.559  55.118  1.66488       35.5      4.2      4.1     5.8
   62   9   3   0  27.665  55.329  1.65903       14.5      1.7      1.7     5.8
   63  10   0   0  28.747  57.494  1.6016        82.2      9.6      9.4     5.8
   64   6   6   2  29.912  59.824  1.54467      127.6     14.9     14.5     5.8
   65   5   5   3  30.293  60.586  1.52705       11.4      1.3      1.3     5.8
   66   7   3   3  30.644  61.289  1.51122       14.1      1.7      1.6     5.8
   67   5   7   2  30.917  61.833  1.49921      396.7     46.5     45.0     5.8
   68   9   3   2  31.185  62.371  1.48758       45.6      5.3      5.2     5.8
   69   1   9   1  31.265  62.53   1.48417       21.6      2.5      2.4     5.8
   70   8   2   3  31.873  63.746  1.45876       13.8      1.6      1.6     5.9
   71  11   1   0  32.14   64.28   1.44791       85.0     10.0      9.6     5.9
   72  10   0   2  32.194  64.388  1.44575       20.4      2.4      2.3     5.9
   73   1   5   4  32.64   65.279  1.42816       17.9      2.1      2.0     5.9
   74  10   2   2  32.986  65.971  1.41484      234.3     27.4     26.4     5.9
   75   7   5   3  33.83   67.661  1.38356       13.2      1.5      1.5     5.9
   76   5   9   0  33.94   67.881  1.37962       27.9      3.3      3.1     5.9
   77   6   6   3  34.103  68.206  1.37382       24.0      2.8      2.7     5.9
   78   0   6   4  34.638  69.276  1.35519       33.5      3.9      3.7     5.9
   79   0  10   1  34.854  69.709  1.34784       11.2      1.3      1.3     5.9
   80   5   7   3  35.042  70.083  1.34155       24.4      2.9      2.7     5.9
   81  10   4   2  35.306  70.612  1.3328        57.4      6.7      6.4     5.9
   82   2  10   1  35.417  70.835  1.32915       14.7      1.7      1.6     5.9
   83   9   7   0  35.726  71.453  1.31917       14.6      1.7      1.6     5.9
   84   6   4   4  35.889  71.778  1.31399       58.2      6.8      6.5     5.9
   85  10   6   0  35.919  71.839  1.31302       13.7      1.6      1.5     5.9
   86   5   5   4  36.056  72.111  1.30873       32.4      3.8      3.6     5.9
   87  12   2   1  36.796  73.592  1.28602       13.5      1.6      1.5     6.0
   88  11   3   2  36.909  73.817  1.28264       31.8      3.7      3.5     6.0
   89   0  10   2  37.228  74.457  1.2732       134.4     15.7     14.9     6.0
   90   9   1   4  39.273  78.547  1.21683       21.3      2.5      2.3     6.0
   91  11   1   3  39.306  78.611  1.216         23.2      2.7      2.6     6.0
   92   0   8   4  39.864  79.728  1.20175       25.5      3.0      2.8     6.0
   93   5   7   4  40.492  80.984  1.18625       20.0      2.3      2.2     6.1
   94  11   3   3  40.764  81.529  1.17969       22.1      2.6      2.4     6.1
   95  10   8   0  41.087  82.175  1.17205       12.0      1.4      1.3     6.1
   96  10   0   4  41.642  83.284  1.15923       41.2      4.8      4.5     6.1
   97   0  12   1  42.966  85.932  1.13017       10.0      1.2      1.1     6.1
   98   0   0   6  43.452  86.905  1.12          18.7      2.2      2.0     6.1
   99   0   2   6  44.171  88.343  1.10544       14.5      1.7      1.6     6.2
  100  11   1   4  44.613  89.225  1.09678       32.0      3.7      3.4     6.2
  101   9   9   2  44.646  89.292  1.09614        9.0      1.1      1.0     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)