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

                            ***

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

1

NaB(3)O(3)(OH)(4)


Monoclinic  C 2/c  Z = 4

R =0.038          NR =1024

4 .4 .1991

Ref.Str.:

         Negro A.D., Pozas J.M., Ungaretti L. (1975)

         * Amer. Mineral., 60, 879-883

                   Initial data from BDM-file 

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

             a =  18.428    alpha =   90.0 
             b =   9.882    beta  =  104.38
             c =   6.326    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1115.91

    Molar volume ( cub.cm/mol.) =   168.04

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

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

   1 0.173   0.238   0.1032   1.64   Na    = 1.00
   2 0.5494  0.1575  0.4964   1.62   O     = 1.00
   3 0.3011  0.1606  0.215    1.29   O     = 1.00
   4 0.3058  0.1016  0.5929   1.35   O     = 1.00
   5 0.3986  0.5352  0.5164   1.61   O     = 1.00
   6 0.4701  0.3401  0.4812   1.48   O     = 1.00
   7 0.3437  0.3196  0.499    1.5    O     = 1.00
   8 0.4194  0.1177  0.48     1.26   O     = 1.00
   9 0.3412  0.1716  0.4414   1.07   B     = 1.00
  10 0.4028  0.3987  0.4959   1.14   B     = 1.00
  11 0.4778  0.1994  0.4828   1.12   B     = 1.00
  12 0.561   0.059   0.505    3.0    H     = 1.00
  13 0.303   0.065   0.171    3.0    H     = 1.00
  14 0.252   0.13    0.56     3.0    H     = 1.00
  15 0.447   0.581   0.517    3.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.173      0.238      0.1032
     2       2     0.5494     0.1575     0.4964
     3       3     0.3011     0.1606     0.215 
     4       4     0.3058     0.1016     0.5929
     5       5     0.3986     0.5352     0.5164
     6       6     0.4701     0.3401     0.4812
     7       7     0.3437     0.3196     0.499 
     8       8     0.4194     0.1177     0.48  
     9       9     0.3412     0.1716     0.4414
    10      10     0.4028     0.3987     0.4959
    11      11     0.4778     0.1994     0.4828
    12      12     0.561      0.059      0.505 
    13      13     0.303      0.065      0.171 
    14      14     0.252      0.13       0.56  
    15      15     0.447      0.581      0.517 
    16       1     0.827      0.762      0.8968
    17       2     0.4506     0.8425     0.5036
    18       3     0.6989     0.8394     0.785 
    19       4     0.6942     0.8984     0.4071
    20       5     0.6014     0.4648     0.4836
    21       6     0.5299     0.6599     0.5188
    22       7     0.6563     0.6804     0.501 
    23       8     0.5806     0.8823     0.52  
    24       9     0.6588     0.8284     0.5586
    25      10     0.5972     0.6013     0.5041
    26      11     0.5222     0.8006     0.5172
    27      12     0.439      0.941      0.495 
    28      13     0.697      0.935      0.829 
    29      14     0.748      0.87       0.44  
    30      15     0.553      0.419      0.483 
    31       1     0.173      0.762      0.6032
    32       2     0.5494     0.8425     0.9964
    33       3     0.3011     0.8394     0.715 
    34       4     0.3058     0.8984     0.0929
    35       5     0.3986     0.4648     0.0164
    36       6     0.4701     0.6599     0.9812
    37       7     0.3437     0.6804     0.999 
    38       8     0.4194     0.8823     0.98  
    39       9     0.3412     0.8284     0.9414
    40      10     0.4028     0.6013     0.9959
    41      11     0.4778     0.8006     0.9828
    42      12     0.561      0.941      0.005 
    43      13     0.303      0.935      0.671 
    44      14     0.252      0.87       0.06  
    45      15     0.447      0.419      0.017 
    46       1     0.827      0.238      0.3968
    47       2     0.4506     0.1575     0.0036
    48       3     0.6989     0.1606     0.285 
    49       4     0.6942     0.1016     0.9071
    50       5     0.6014     0.5352     0.9836
    51       6     0.5299     0.3401     0.0188
    52       7     0.6563     0.3196     0.001 
    53       8     0.5806     0.1177     0.02  
    54       9     0.6588     0.1716     0.0586
    55      10     0.5972     0.3987     0.0041
    56      11     0.5222     0.1994     0.0172
    57      12     0.439      0.059      0.995 
    58      13     0.697      0.065      0.329 
    59      14     0.748      0.13       0.94  
    60      15     0.553      0.581      0.983 
    61       1     0.673      0.262      0.6032
    62       2     0.0494     0.3425     0.9964
    63       3     0.8011     0.3394     0.715 
    64       4     0.8058     0.3984     0.0929
    65       5     0.8986     0.9648     0.0164
    66       6     0.9701     0.1599     0.9812
    67       7     0.8437     0.1804     0.999 
    68       8     0.9194     0.3823     0.98  
    69       9     0.8412     0.3284     0.9414
    70      10     0.9028     0.1013     0.9959
    71      11     0.9778     0.3006     0.9828
    72      12     0.061      0.441      0.005 
    73      13     0.803      0.435      0.671 
    74      14     0.752      0.37       0.06  
    75      15     0.947      0.919      0.017 
    76       1     0.327      0.738      0.3968
    77       2     0.9506     0.6575     0.0036
    78       3     0.1989     0.6606     0.285 
    79       4     0.1942     0.6016     0.9071
    80       5     0.1014     0.0352     0.9836
    81       6     0.0299     0.8401     0.0188
    82       7     0.1563     0.8196     0.001 
    83       8     0.0806     0.6177     0.02  
    84       9     0.1588     0.6716     0.0586
    85      10     0.0972     0.8987     0.0041
    86      11     0.0222     0.6994     0.0172
    87      12     0.939      0.559      0.995 
    88      13     0.197      0.565      0.329 
    89      14     0.248      0.63       0.94  
    90      15     0.053      0.081      0.983 
    91       1     0.673      0.738      0.1032
    92       2     0.0494     0.6575     0.4964
    93       3     0.8011     0.6606     0.215 
    94       4     0.8058     0.6016     0.5929
    95       5     0.8986     0.0352     0.5164
    96       6     0.9701     0.8401     0.4812
    97       7     0.8437     0.8196     0.499 
    98       8     0.9194     0.6177     0.48  
    99       9     0.8412     0.6716     0.4414
   100      10     0.9028     0.8987     0.4959
   101      11     0.9778     0.6994     0.4828
   102      12     0.061      0.559      0.505 
   103      13     0.803      0.565      0.171 
   104      14     0.752      0.63       0.56  
   105      15     0.947      0.081      0.517 
   106       1     0.327      0.262      0.8968
   107       2     0.9506     0.3425     0.5036
   108       3     0.1989     0.3394     0.785 
   109       4     0.1942     0.3984     0.4071
   110       5     0.1014     0.9648     0.4836
   111       6     0.0299     0.1599     0.5188
   112       7     0.1563     0.1804     0.501 
   113       8     0.0806     0.3823     0.52  
   114       9     0.1588     0.3284     0.5586
   115      10     0.0972     0.1013     0.5041
   116      11     0.0222     0.3006     0.5172
   117      12     0.939      0.441      0.495 
   118      13     0.197      0.435      0.829 
   119      14     0.248      0.37       0.44  
   120      15     0.053      0.919      0.483 


X-ray density (g/cm cub.)   =      2.04

MU (1/cm) =      24.505    Mass attenuation coefficient (cm**2/g) =     12.011

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

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

    1    Na                  2.808        6
                                                 2.4142       3
                                                 2.4385       2
                                                 2.4153       5
                                                 2.4002       3
                                                 2.447        4
                                                 2.6713       7
    2    O                   3.264        7
                                                 2.3089       6
                                                 2.4044       8
                                                 3.1914       5
                                                 2.776        8
                                                 3.196        2
                                                 3.242        8
                                                 3.2293       8
    3    O                   3.264        4
                                                 2.4412       4
                                                 2.369        7
                                                 2.4346       8
                                                 2.7113       4
    4    O                   3.264        5
                                                 2.4412       3
                                                 2.3849       7
                                                 2.3792       8
                                                 2.7113       3
                                                 2.7819       7
    5    O                   3.264        7
                                                 2.3767       6
                                                 2.3494       7
                                                 3.1914       2
                                                 2.712        6
                                                 3.2386       5
                                                 3.2386       5
                                                 3.1584       6
    6    O                   3.264        6
                                                 2.3089       2
                                                 2.3767       5
                                                 2.3685       7
                                                 2.3874       8
                                                 2.712        5
                                                 3.1584       5
    7    O                   3.264        6
                                                 2.369        3
                                                 2.3849       4
                                                 2.3494       5
                                                 2.3685       6
                                                 2.4545       8
                                                 2.7819       4
    8    O                   3.264        8
                                                 2.4044       2
                                                 2.4346       3
                                                 2.3792       4
                                                 2.3874       6
                                                 2.4545       7
                                                 2.776        2
                                                 3.242        2
                                                 3.2293       2
    9    B                   1.872        4
                                                 1.4434       3
                                                 1.4605       4
                                                 1.5052       7
                                                 1.4984       8
   10    B                   1.872        3
                                                 1.3592       5
                                                 1.3926       6
                                                 1.3447       7
   11    B                   1.872        3
                                                 1.3651       2
                                                 1.3974       6
                                                 1.342        8
   12    H                   1.632        1
                                                 0.9952       2
   13    H                   1.632        1
                                                 0.9879       3
   14    H                   1.632        1
                                                 1.0013       4
   15    H                   1.632        1
                                                 0.9993       5

  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   2   0   0  4.951   9.902   0.056  265.54    2       21.4       19.5
    2   1   1   0  5.112  10.223   0.058  248.98    4        0.4        0.0
    3   1   1  -1  8.341  16.682   0.094   92.09    4       41.5       50.9
    4   3   1   0  8.691  17.383   0.098   84.65    4       27.2       20.1
    5   0   2   0  8.969  17.937   0.101   79.36    2      133.5      227.2
    6   1   1   1  9.357  18.714   0.106   72.74    4       57.5       77.1
    7   4   0   0  9.939  19.879   0.112   64.21    2       61.5       39.1
    8   3   1  -1 10.067  20.133   0.113   62.55    4       27.5       15.2
    9   2   2   0 10.264  20.529   0.116   60.08    4       30.0       17.3
   10   0   2   1 11.552  23.104   0.13    46.98    4       35.7       19.2
   11   2   2  -1 11.849  23.699   0.133   44.55    4       34.2       16.7
   12   3   1   1 12.483  24.965   0.14    39.94    4       62.7       50.4
   13   5   1   0 13.262  26.524   0.149   35.15    4       96.7      105.5
   14   2   2   1 13.302  26.605   0.149   34.93    4       13.9        2.2
   15   4   2   0 13.449  26.899   0.151   34.12    4       30.5       10.2
   16   5   1  -1 13.558  27.116   0.152   33.55    4        0.3        0.0
   17   1   3   0 13.756  27.512   0.154   32.53    4       68.2       48.7
   18   4   2  -1 14.072  28.145   0.158   31.0     4       44.8       20.0
   19   2   0  -2 14.164  28.328   0.159   30.57    2      177.6      154.9
   20   0   0   2 14.561  29.121   0.163   28.82    2      308.9      441.7
   21   1   1  -2 14.858  29.716   0.166   27.6     4       63.8       36.1
   22   6   0   0 15.005  30.011   0.168   27.03    2       83.5       30.2
   23   1   3  -1 15.303  30.605   0.171   25.91    4       57.5       27.5
   24   3   1  -2 15.327  30.655   0.172   25.82    4       86.3       61.8
   25   3   3   0 15.503  31.006   0.173   25.2     4       18.7        2.8
   26   4   0  -2 15.503  31.006   0.174   25.2     2       57.3       13.3
   27   1   3   1 15.899  31.797   0.178   23.87    4       94.5       68.5
   28   1   1   2 16.06   32.12    0.18    23.35    4       14.1        1.5
   29   3   3  -1 16.341  32.682   0.183   22.49    4       13.0        1.2
   30   4   2   1 16.501  33.002   0.184   22.02    4       46.0       14.9
   31   2   0   2 16.58   33.161   0.185   21.79    2      101.2       35.8
   32   5   1   1 16.629  33.259   0.186   21.65    4        2.7        0.0
   33   2   2  -2 16.866  33.732   0.188   21.0     4       92.2       57.3
   34   0   2   2 17.207  34.413   0.192   20.1     4       31.8        6.5
   35   5   1  -2 17.346  34.692   0.194   19.75    4       14.0        1.2
   36   6   2  -1 17.555  35.109   0.196   19.24    4       40.5       10.1
   37   6   2   0 17.591  35.182   0.196   19.16    4      154.0      145.9
   38   7   1  -1 17.879  35.759   0.199   18.49    4       23.9        3.4
   39   3   3   1 17.984  35.968   0.2     18.25    4       36.7        7.9
   40   4   2  -2 18.025  36.05    0.201   18.16    4       27.7        4.5
   41   0   4   0 18.167  36.334   0.202   17.85    2      105.3       31.8
   42   7   1   0 18.177  36.354   0.202   17.83    4       79.0       35.7
   43   6   0  -2 18.234  36.468   0.203   17.71    2       42.6        5.2
   44   5   3   0 18.552  37.105   0.207   17.05    4       14.5        1.2
   45   3   1   2 18.644  37.289   0.208   16.86    4        0.4        0.0
   46   5   3  -1 18.773  37.545   0.209   16.61    4       26.6        3.8
   47   2   4   0 18.876  37.751   0.21    16.41    4       39.0        8.0
   48   2   2   2 18.976  37.951   0.211   16.22    4       49.3       12.7
   49   0   4   1 19.644  39.288   0.218   15.02    4       58.7       16.7
   50   1   3  -2 19.766  39.531   0.22    14.82    4        4.6        0.1
   51   4   0   2 19.783  39.565   0.22    14.79    2       57.4        7.8
   52   2   4  -1 19.83   39.659   0.22    14.71    4       32.0        4.8
   53   3   3  -2 20.134  40.267   0.223   14.22    4       62.8       18.0
   54   8   0   0 20.195  40.389   0.224   14.13    2      150.1       51.1
   55   6   2  -2 20.462  40.924   0.227   13.72    4      103.9       47.6
   56   7   1  -2 20.514  41.027   0.227   13.64    4       67.8       20.2
   57   6   2   1 20.557  41.115   0.228   13.58    4       16.2        1.1
   58   1   3   2 20.717  41.433   0.23    13.35    4       58.9       14.9
   59   2   4   1 20.778  41.557   0.23    13.26    4      107.7       49.4
   60   4   4   0 20.878  41.756   0.231   13.12    4       39.7        6.6
   61   5   3   1 21.177  42.355   0.234   12.7     4       18.2        1.3
   62   7   1   1 21.302  42.604   0.236   12.54    4       26.5        2.8
   63   4   4  -1 21.307  42.613   0.236   12.53    4       26.8        2.9
   64   5   3  -2 21.765  43.53    0.241   11.95    4       86.7       28.8
   65   8   2  -1 21.784  43.568   0.241   11.92    4       65.4       16.4
   66   4   2   2 21.878  43.756   0.242   11.81    4       82.1       25.6
   67   8   0  -2 21.912  43.824   0.242   11.77    2       54.0        5.5
   68   3   1  -3 22.038  44.077   0.244   11.62    4       76.3       21.7
   69   1   1  -3 22.143  44.285   0.245   11.49    4       81.3       24.4
   70   5   1   2 22.201  44.402   0.245   11.43    4        6.9        0.2
   71   7   3  -1 22.208  44.416   0.245   11.42    4       28.5        3.0
   72   8   2   0 22.258  44.516   0.246   11.36    4       55.8       11.4
   73   7   3   0 22.458  44.915   0.248   11.13    4       98.3       34.6
   74   9   1  -1 22.662  45.324   0.25    10.91    4        4.5        0.1
   75   3   3   2 22.851  45.703   0.252   10.71    4       29.7        3.0
   76   4   4   1 23.073  46.145   0.254   10.47    4       27.2        2.5
   77   1   5   0 23.087  46.173   0.255   10.46    4       38.2        4.9
   78   5   1  -3 23.139  46.279   0.255   10.41    4       37.7        4.7
   79   9   1   0 23.335  46.67    0.257   10.21    4       41.9        5.8
   80   2   4  -2 23.35   46.7     0.257   10.19    4       12.7        0.5
   81   2   2  -3 23.405  46.811   0.258   10.14    4       49.7        8.0
   82   1   1   3 23.44   46.879   0.258   10.11    4       70.4       16.1
   83   0   4   2 23.611  47.222   0.26     9.94    4       56.2       10.1
   84   6   0   2 23.778  47.557   0.262    9.78    2       11.4        0.2
   85   8   2  -2 23.856  47.712   0.263    9.71    4       32.7        3.3
   86   6   4  -1 23.88   47.76    0.263    9.69    4       56.4        9.9
   87   4   2  -3 23.887  47.775   0.263    9.68    4       15.7        0.8
   88   6   4   0 23.908  47.817   0.263    9.66    4       48.8        7.4
   89   0   2   3 24.083  48.166   0.265    9.5     4       38.6        4.6
   90   1   5  -1 24.11   48.22    0.265    9.48    4       53.6        8.7
   91   3   5   0 24.247  48.495   0.267    9.36    4       68.0       13.9
   92   4   4  -2 24.247  48.495   0.267    9.36    4       96.1       27.8
   93   7   3  -2 24.457  48.915   0.269    9.18    4       60.7       10.8
   94   9   1  -2 24.473  48.945   0.269    9.16    4       25.5        1.9
   95   1   5   1 24.522  49.043   0.269    9.12    4      110.4       35.7
   96   3   5  -1 24.833  49.665   0.273    8.86    4       92.6       24.4
   97   2   4   2 25.003  50.006   0.274    8.73    4      101.5       28.9
   98   7   3   1 25.148  50.295   0.276    8.61    4       44.7        5.5
   99   8   2   1 25.166  50.332   0.276    8.6     4       91.3       23.0
  100   7   1  -3 25.323  50.646   0.278    8.48    4       26.6        1.9
  101   6   2  -3 25.479  50.957   0.279    8.36    4        8.3        0.2
  102  10   0   0 25.564  51.127   0.28     8.3     2       28.0        1.0
  103   6   2   2 25.613  51.226   0.281    8.26    4       58.1        9.0
  104   3   1   3 25.79   51.58    0.282    8.13    4       95.0       23.6
  105   3   3  -3 25.798  51.597   0.282    8.13    4       30.3        2.4
  106   2   2   3 25.851  51.702   0.283    8.09    4       22.0        1.3
  107   1   3  -3 25.891  51.782   0.283    8.06    4       41.0        4.4
  108   5   3   2 25.943  51.885   0.284    8.02    4       66.9       11.5
  109   3   5   1 26.027  52.054   0.285    7.97    4       10.7        0.3
  110   6   4  -2 26.214  52.428   0.287    7.84    4       72.9       13.4
  111  10   0  -2 26.243  52.486   0.287    7.82    2       85.2        9.1
  112   6   4   1 26.293  52.586   0.288    7.78    4        3.7        0.0
  113   9   1   1 26.346  52.692   0.288    7.75    4       63.9       10.1
  114   9   3  -1 26.354  52.708   0.288    7.74    4       44.9        5.0
  115   7   1   2 26.439  52.878   0.289    7.69    4       13.0        0.4
  116   5   5   0 26.454  52.907   0.289    7.68    4        9.4        0.2
  117  10   2  -1 26.52   53.039   0.29     7.63    4       63.9       10.0
  118   5   5  -1 26.621  53.241   0.291    7.57    4       96.4       22.6
  119   5   3  -3 26.781  53.563   0.292    7.46    4       42.7        4.4
  120   9   3   0 26.958  53.915   0.294    7.35    4       22.8        1.2
  121   1   3   3 27.052  54.103   0.295    7.29    4        4.5        0.0
  122  10   2   0 27.31   54.621   0.298    7.14    4       69.0       10.9
  123   8   4  -1 27.319  54.638   0.298    7.13    4       23.6        1.3
  124   1   5  -2 27.385  54.771   0.299    7.09    4       13.8        0.4
  125   4   4   2 27.399  54.797   0.299    7.09    4       73.4       12.3
  126   3   5  -2 27.673  55.346   0.301    6.93    4       34.5        2.6
  127   8   4   0 27.721  55.443   0.302    6.9     4       41.8        3.9
  128  11   1  -1 27.802  55.604   0.303    6.85    4       37.5        3.1
  129   0   6   0 27.884  55.768   0.304    6.81    2       44.1        2.1
  130  10   2  -2 27.96   55.92    0.304    6.77    4      122.0       32.3
  131   9   3  -2 27.987  55.974   0.305    6.75    4       24.2        1.3
  132   8   2  -3 28.043  56.085   0.305    6.72    4      103.0       22.9
  133   1   5   2 28.134  56.269   0.306    6.67    4       35.4        2.7
  134   8   0   2 28.35   56.699   0.308    6.56    2       82.8        7.2
  135   2   6   0 28.397  56.795   0.309    6.53    4       46.9        4.6
  136   9   1  -3 28.41   56.82    0.309    6.53    4       20.9        0.9
  137   5   5   1 28.503  57.005   0.31     6.48    4        0.1        0.0
  138   4   2   3 28.565  57.131   0.31     6.45    4       37.6        2.9
  139   2   4  -3 28.706  57.412   0.312    6.38    4       36.7        2.8
  140  11   1   0 28.752  57.504   0.312    6.35    4        0.6        0.0
  141   7   3  -3 28.764  57.528   0.312    6.35    4       52.6        5.6
  142   0   6   1 28.966  57.931   0.314    6.25    4       14.4        0.4
  143   5   5  -2 28.978  57.955   0.314    6.24    4        2.1        0.0
  144   5   1   3 29.014  58.028   0.315    6.22    4       89.2       15.9
  145  11   1  -2 29.018  58.037   0.315    6.22    4       45.7        4.2
  146   8   4  -2 29.097  58.194   0.316    6.18    4       41.7        3.5
  147   2   6  -1 29.105  58.209   0.316    6.18    4       26.6        1.4
  148   4   4  -3 29.124  58.249   0.316    6.17    4        9.4        0.2
  149   3   3   3 29.193  58.385   0.317    6.14    4        7.7        0.1
  150   2   0  -4 29.247  58.495   0.317    6.11    2      135.8       18.1
  151   0   4   3 29.295  58.59    0.318    6.09    4       25.4        1.3
  152   4   0  -4 29.3    58.601   0.318    6.09    2       28.3        0.8
  153   7   5  -1 29.339  58.678   0.318    6.07    4       30.1        1.8
  154   7   5   0 29.544  59.088   0.32     5.98    4       15.4        0.5
  155   3   1  -4 29.556  59.112   0.32     5.97    4       44.5        3.8
  156   9   3   1 29.705  59.41    0.322    5.9     4       85.2       13.8
  157   7   3   2 29.791  59.582   0.323    5.86    4       11.4        0.2
  158   2   6   1 29.826  59.651   0.323    5.85    4        3.2        0.0
  159   3   5   2 29.869  59.738   0.323    5.83    4       54.8        5.6
  160   4   6   0 29.902  59.804   0.324    5.82    4       29.3        1.6
  161   8   2   2 29.986  59.972   0.324    5.78    4       41.3        3.2
  162   1   1  -4 29.999  59.997   0.325    5.77    4        5.3        0.1
  163   5   1  -4 30.103  60.206   0.326    5.73    4        5.8        0.1
  164   0   0   4 30.186  60.372   0.326    5.69    2      111.5       11.4
  165  10   2   1 30.215  60.429   0.327    5.68    4       37.9        2.6
  166   4   6  -1 30.234  60.468   0.327    5.67    4       19.4        0.7
  167   8   4   1 30.247  60.494   0.327    5.67    4       35.4        2.3
  168   6   0  -4 30.342  60.684   0.328    5.63    2       34.6        1.1
  169   6   4  -3 30.524  61.048   0.33     5.55    4       18.0        0.6
  170   6   4   2 30.643  61.286   0.331    5.51    4        5.9        0.1
  171   2   2  -4 30.854  61.708   0.333    5.42    4       64.1        7.2
  172   2   4   3 30.855  61.711   0.333    5.42    4       51.0        4.5
  173   4   2  -4 30.905  61.811   0.333    5.4     4       12.7        0.3
  174  11   3  -1 31.058  62.115   0.335    5.35    4       35.6        2.2
  175  12   0  -2 31.092  62.183   0.335    5.33    2       36.1        1.1
  176  12   0   0 31.186  62.372   0.336    5.3     2       33.6        1.0
  177   9   1   2 31.216  62.432   0.336    5.29    4       56.2        5.4
  178   7   5  -2 31.217  62.435   0.336    5.29    4       20.5        0.7
  179   1   1   4 31.405  62.81    0.338    5.22    4       21.4        0.8
  180  10   2  -3 31.428  62.857   0.338    5.21    4       21.9        0.8
  181  10   4  -1 31.453  62.906   0.339    5.2     4       31.0        1.6
  182   7   1  -4 31.609  63.217   0.34     5.14    4       36.4        2.2
  183   9   3  -3 31.626  63.253   0.34     5.14    4       12.0        0.2
  184   4   6   1 31.635  63.269   0.34     5.13    4       20.2        0.7
  185  12   2  -1 31.686  63.373   0.341    5.11    4       21.6        0.8
  186  11   1   1 31.745  63.49    0.342    5.09    4        1.7        0.0
  187   0   2   4 31.764  63.528   0.342    5.09    4        6.5        0.1
  188   7   5   1 31.807  63.615   0.342    5.07    4       10.8        0.2
  189   2   6  -2 31.859  63.718   0.343    5.05    4       35.5        2.0
  190   6   2  -4 31.916  63.831   0.343    5.03    4       30.4        1.5
  191  11   3   0 31.947  63.895   0.343    5.02    4       22.0        0.8
  192   2   0   4 32.064  64.128   0.345    4.98    2       48.7        1.9
  193   0   6   2 32.071  64.143   0.345    4.98    4       27.8        1.2
  194   6   2   3 32.078  64.157   0.345    4.98    4       25.9        1.1
  195  10   4   0 32.166  64.331   0.346    4.95    4       11.6        0.2
  196   5   3   3 32.194  64.387   0.346    4.94    4        9.7        0.1
  197  11   3  -2 32.198  64.395   0.346    4.94    4       18.9        0.6
  198  11   1  -3 32.246  64.492   0.346    4.92    4       44.7        3.2
  199   6   6  -1 32.292  64.583   0.347    4.91    4       22.2        0.8
  200   6   6   0 32.315  64.629   0.347    4.9     4       11.2        0.2
  201   8   0  -4 32.315  64.63    0.347    4.9     2       47.1        1.7
  202   3   5  -3 32.369  64.737   0.348    4.88    4       42.5        2.8
  203   1   5  -3 32.449  64.898   0.348    4.86    4        7.2        0.1
  204   5   5   2 32.494  64.988   0.349    4.84    4        1.1        0.0
  205   4   6  -2 32.594  65.187   0.35     4.81    4       28.1        1.2
  206  12   2  -2 32.645  65.289   0.35     4.79    4       37.4        2.2
  207   3   3  -4 32.704  65.409   0.351    4.78    4        4.2        0.0
  208  12   2   0 32.736  65.473   0.351    4.77    4       25.9        1.0
  209  10   4  -2 32.755  65.511   0.351    4.76    4        9.3        0.1
  210   8   4  -3 32.83   65.661   0.352    4.74    4       25.6        1.0
  211   9   5  -1 32.852  65.704   0.352    4.73    4       18.0        0.5
  212   7   1   3 32.967  65.934   0.353    4.69    4       55.0        4.6
  213   1   3  -4 33.122  66.245   0.355    4.65    4       38.5        2.2
  214   1   7   0 33.185  66.369   0.355    4.63    4       18.0        0.5
  215   2   6   2 33.221  66.442   0.356    4.62    4       67.3        6.7
  216   5   3  -4 33.221  66.443   0.356    4.62    4       28.1        1.2
  217   5   5  -3 33.226  66.452   0.356    4.62    4       18.0        0.5
  218  13   1  -1 33.307  66.614   0.356    4.59    4       31.3        1.4
  219   4   4   3 33.308  66.615   0.356    4.59    4       42.4        2.6
  220   9   5   0 33.381  66.762   0.357    4.57    4       26.6        1.0
  221  10   0   2 33.416  66.833   0.357    4.56    2        0.8        0.0
  222   1   5   3 33.464  66.927   0.358    4.55    4       52.7        4.1
  223   2   2   4 33.593  67.185   0.359    4.51    4       20.3        0.6
  224   3   1   4 33.708  67.416   0.36     4.48    4        7.2        0.1
  225   8   2  -4 33.838  67.676   0.361    4.44    4       24.2        0.8
  226   1   7  -1 33.999  67.999   0.363    4.4     4       23.0        0.7
  227   9   1  -4 34.002  68.004   0.363    4.4     4       39.0        2.2
  228  13   1  -2 34.075  68.151   0.364    4.38    4       31.8        1.4
  229   3   7   0 34.11   68.22    0.364    4.37    4       44.8        2.8
  230   6   6  -2 34.243  68.486   0.365    4.33    4       24.0        0.8
  231   9   3   2 34.278  68.557   0.366    4.33    4       14.7        0.3
  232   9   5  -2 34.292  68.584   0.366    4.32    4        7.7        0.1
  233   6   6   1 34.31   68.621   0.366    4.32    4       16.0        0.4
  234   1   7   1 34.332  68.663   0.366    4.31    4       23.4        0.8
  235   1   3   4 34.458  68.917   0.367    4.28    4       11.7        0.2
  236  13   1   0 34.497  68.993   0.368    4.27    4        5.8        0.0
  237   3   7  -1 34.585  69.169   0.368    4.25    4        9.2        0.1
  238   8   4   2 34.615  69.231   0.369    4.24    4        0.6        0.0
  239   7   3  -4 34.652  69.305   0.369    4.23    4       40.3        2.2
  240  11   3   1 34.782  69.565   0.37     4.2     4        1.5        0.0
  241   4   0   4 34.8    69.6     0.37     4.19    2       10.4        0.1
  242  10   4   1 34.827  69.655   0.371    4.19    4       13.2        0.2
  243  10   2   2 34.915  69.83    0.372    4.17    4       24.5        0.8
  244   7   5  -3 34.986  69.973   0.372    4.15    4       42.3        2.4
  245  10   0  -4 35.138  70.276   0.374    4.11    2       25.3        0.4
  246   8   6  -1 35.192  70.385   0.374    4.1     4       23.2        0.7
  247   4   6   2 35.261  70.523   0.375    4.08    4       10.5        0.1
  248  11   3  -3 35.262  70.523   0.375    4.08    4       25.0        0.8
  249   3   5   3 35.372  70.745   0.376    4.06    4        3.4        0.0
  250   2   4  -4 35.422  70.844   0.376    4.05    4       15.9        0.3
  251   4   4  -4 35.47   70.939   0.377    4.04    4       23.2        0.7
  252  12   2  -3 35.527  71.053   0.377    4.02    4       31.6        1.3
  253   8   6   0 35.542  71.083   0.377    4.02    4       15.7        0.3
  254   3   7   1 35.569  71.139   0.378    4.01    4       80.1        8.3
  255  12   2   1 35.703  71.406   0.379    3.98    4       16.6        0.4
  256   9   5   1 35.836  71.672   0.38     3.95    4       24.0        0.7
  257   7   5   2 35.914  71.827   0.381    3.94    4       11.5        0.2
  258   5   7   0 35.926  71.853   0.381    3.94    4        3.2        0.0
  259   7   3   3 35.953  71.906   0.381    3.93    4       16.1        0.3
  260  10   4  -3 35.958  71.917   0.381    3.93    4        9.7        0.1
  261   5   7  -1 36.067  72.133   0.382    3.91    4       95.6       11.5
  262  12   4  -1 36.2    72.4     0.383    3.88    4        5.0        0.0
  263   4   2   4 36.272  72.545   0.384    3.86    4       62.2        4.8
  264   0   4   4 36.273  72.546   0.384    3.86    4       69.2        5.9
  265  13   3  -1 36.28   72.56    0.384    3.86    4       20.9        0.5
  266   8   2   3 36.292  72.584   0.384    3.86    4       33.5        1.4
  267   2   6  -3 36.405  72.809   0.385    3.84    4       27.5        0.9
  268   6   4  -4 36.415  72.831   0.385    3.83    4        4.2        0.0
  269  14   0  -2 36.435  72.87    0.386    3.83    2       16.1        0.2
  270  11   1   2 36.503  73.006   0.386    3.82    4        4.6        0.0
  271   6   4   3 36.568  73.136   0.387    3.8     4       18.7        0.4
  272  10   2  -4 36.604  73.209   0.387    3.8     4       41.6        2.1
  273   3   3   4 36.666  73.332   0.388    3.78    4       13.9        0.2
  274   1   7  -2 36.714  73.429   0.388    3.77    4       18.0        0.4
  275  13   1  -3 36.744  73.488   0.388    3.77    4       23.9        0.7
  276   8   6  -2 36.75   73.501   0.388    3.77    4       13.8        0.2
  277   4   6  -3 36.775  73.549   0.389    3.76    4       14.5        0.3
  278   5   1   4 36.83   73.66    0.389    3.75    4       10.6        0.1
  279   0   6   3 36.926  73.852   0.39     3.73    4       25.7        0.8
  280   9   3  -4 36.949  73.899   0.39     3.73    4        6.1        0.0
  281   3   7  -2 36.96   73.92    0.39     3.73    4        8.9        0.1
  282  13   3  -2 37.02   74.041   0.391    3.72    4        5.7        0.0
  283  11   5  -1 37.071  74.141   0.391    3.71    4       34.0        1.4
  284  12   4  -2 37.102  74.204   0.392    3.7     4       24.0        0.7
  285  14   0   0 37.165  74.331   0.392    3.69    2       60.6        2.2
  286  12   4   0 37.189  74.377   0.392    3.68    4       37.9        1.7
  287  11   1  -4 37.207  74.414   0.393    3.68    4       25.2        0.8
  288  14   2  -1 37.307  74.615   0.393    3.66    4        1.3        0.0
  289   1   7   2 37.356  74.713   0.394    3.65    4       13.9        0.2
  290  13   3   0 37.427  74.855   0.395    3.64    4       25.3        0.8
  291  13   1   1 37.559  75.118   0.396    3.62    4       16.3        0.3
  292   9   1   3 37.575  75.15    0.396    3.62    4       22.4        0.6
  293   9   5  -3 37.595  75.189   0.396    3.61    4       40.9        1.9
  294   5   7   1 37.675  75.35    0.397    3.6     4       11.8        0.2
  295   8   6   1 37.776  75.553   0.398    3.58    4        4.7        0.0
  296  14   2  -2 37.881  75.763   0.399    3.56    4       20.2        0.5
  297  11   5   0 37.892  75.783   0.399    3.56    4       28.8        1.0
  298   3   1  -5 37.906  75.812   0.399    3.56    4       29.2        1.0
  299   2   4   4 38.0    75.999   0.4      3.54    4        9.5        0.1
  300   6   6  -3 38.026  76.052   0.4      3.54    4       33.3        1.3
  301   5   1  -5 38.074  76.149   0.4      3.53    4       40.3        1.8
  302   5   7  -2 38.088  76.176   0.4      3.53    4       53.3        3.2
  303   5   5   3 38.12   76.24    0.401    3.52    4        8.0        0.1
  304  11   5  -2 38.124  76.247   0.401    3.52    4        1.8        0.0
  305   6   6   2 38.133  76.267   0.401    3.52    4       21.2        0.5
  306   8   4  -4 38.233  76.466   0.402    3.51    4       58.2        3.8
  307   6   0   4 38.323  76.646   0.403    3.49    2       62.9        2.2
  308   2   6   3 38.325  76.65    0.403    3.49    4       18.7        0.4
  309   7   7  -1 38.404  76.809   0.403    3.48    4       77.3        6.7
  310   0   8   0 38.578  77.156   0.405    3.45    2        9.1        0.0
  311   7   7   0 38.584  77.168   0.405    3.45    4       25.2        0.7
  312   3   5  -4 38.595  77.19    0.405    3.45    4       16.7        0.3
  313  14   2   0 38.602  77.204   0.405    3.45    4       19.0        0.4
  314   1   1  -5 38.616  77.232   0.405    3.45    4       11.1        0.1
  315  12   0  -4 38.741  77.482   0.406    3.43    2       11.7        0.1
  316  10   6  -1 38.868  77.736   0.407    3.41    4       29.4        0.9
  317   3   7   2 38.871  77.742   0.407    3.41    4        6.5        0.0
  318   4   2  -5 38.953  77.906   0.408    3.4     4       47.3        2.4
  319   1   5  -4 38.986  77.971   0.408    3.39    4       18.7        0.4
  320  12   0   2 38.997  77.995   0.408    3.39    2       46.4        1.2
  321   2   8   0 39.015  78.03    0.409    3.39    4       12.1        0.2
  322   5   5  -4 39.078  78.156   0.409    3.38    4       26.3        0.8
  323   7   1  -5 39.117  78.234   0.41     3.37    4       21.9        0.5
  324   2   2  -5 39.222  78.444   0.41     3.36    4       38.5        1.6
  325  15   1  -1 39.256  78.512   0.411    3.35    4       52.0        2.9
  326  10   4   2 39.261  78.522   0.411    3.35    4       54.7        3.2
  327  11   3   2 39.376  78.751   0.412    3.34    4       24.0        0.6
  328   0   8   1 39.504  79.007   0.413    3.32    4       14.3        0.2
  329  10   6   0 39.52   79.04    0.413    3.32    4       42.4        1.9
  330   6   2  -5 39.555  79.11    0.413    3.31    4       45.8        2.2
  331  13   3  -3 39.611  79.223   0.414    3.3     4       30.1        1.0
  332   2   8  -1 39.624  79.247   0.414    3.3     4        2.2        0.0
  333  15   1  -2 39.664  79.329   0.414    3.3     4       48.3        2.5
  334   5   3   4 39.695  79.39    0.415    3.29    4        1.5        0.0
  335   6   2   4 39.746  79.492   0.415    3.29    4        1.4        0.0
  336  12   4  -3 39.848  79.696   0.416    3.27    4        5.8        0.0
  337  12   4   1 40.018  80.035   0.417    3.25    4        3.8        0.0
  338  10   6  -2 40.063  80.126   0.418    3.25    4       41.9        1.8
  339  11   3  -4 40.063  80.126   0.418    3.25    4        6.7        0.0
  340   9   5   2 40.073  80.145   0.418    3.25    4       17.4        0.3
  341   7   7  -2 40.074  80.147   0.418    3.25    4        0.9        0.0
  342   8   6  -3 40.132  80.264   0.418    3.24    4       16.0        0.3
  343  12   2  -4 40.16   80.32    0.419    3.23    4       14.1        0.2
  344   1   1   5 40.19   80.379   0.419    3.23    4       53.5        3.0
  345   1   5   4 40.243  80.486   0.419    3.22    4       13.0        0.2
  346   2   8   1 40.251  80.502   0.419    3.22    4       40.1        1.7
  347  14   2  -3 40.299  80.597   0.42     3.22    4        5.4        0.0
  348   4   8   0 40.318  80.636   0.42     3.22    4       10.3        0.1
  349   0   2   5 40.358  80.715   0.42     3.21    4       11.9        0.1
  350  13   3   1 40.408  80.816   0.421    3.21    4       33.9        1.2
  351  12   2   2 40.414  80.828   0.421    3.2     4       12.1        0.2
  352   9   3   3 40.423  80.847   0.421    3.2     4       42.3        1.8
  353   7   5  -4 40.426  80.853   0.421    3.2     4        2.0        0.0
  354  11   5   1 40.55   81.1     0.422    3.19    4        6.9        0.0
  355   4   4   4 40.567  81.133   0.422    3.19    4       34.3        1.2
  356   4   6   3 40.574  81.149   0.422    3.19    4       29.9        0.9
  357   8   4   3 40.585  81.171   0.422    3.18    4       28.8        0.8
  358   7   7   1 40.606  81.213   0.422    3.18    4       58.5        3.5
  359   4   8  -1 40.61   81.219   0.423    3.18    4        0.4        0.0
  360  15   1   0 40.689  81.377   0.423    3.17    4       60.6        3.7
  361   7   1   4 40.72   81.439   0.423    3.17    4        0.7        0.0
  362   3   3  -5 40.748  81.495   0.424    3.17    4       16.6        0.3
  363  10   4  -4 40.887  81.775   0.425    3.15    4        8.0        0.1
  364   5   3  -5 40.913  81.825   0.425    3.15    4       52.6        2.8
  365  11   5  -3 41.005  82.01    0.426    3.14    4       10.7        0.1
  366   9   1  -5 41.016  82.032   0.426    3.14    4       33.3        1.1
  367   8   2  -5 41.018  82.037   0.426    3.14    4       18.2        0.3
  368   3   7  -3 41.117  82.234   0.427    3.13    4        3.7        0.0
  369  13   1  -4 41.177  82.354   0.427    3.12    4       20.3        0.4
  370  10   2   3 41.181  82.362   0.427    3.12    4       51.2        2.6
  371   1   7  -3 41.19   82.381   0.427    3.12    4       27.6        0.8
  372   5   7   2 41.231  82.463   0.428    3.11    4       13.3        0.2
  373   1   3  -5 41.444  82.889   0.43     3.09    4       51.1        2.6
  374   9   7  -1 41.559  83.119   0.431    3.08    4       82.6        6.8
  375  14   4  -1 41.569  83.137   0.431    3.08    4       21.1        0.4
  376   7   5   3 41.665  83.33    0.432    3.07    4       10.0        0.1
  377  14   2   1 41.715  83.429   0.432    3.07    4       15.6        0.2
  378   8   6   2 41.797  83.594   0.433    3.06    4       21.1        0.4
  379   4   8   1 41.855  83.711   0.433    3.05    4       15.2        0.2
  380  15   1  -3 41.9    83.8     0.434    3.05    4       58.5        3.4
  381   5   7  -3 41.904  83.807   0.434    3.05    4       50.3        2.5
  382   7   3  -5 41.938  83.875   0.434    3.04    4       44.1        1.9
  383  13   5  -1 41.978  83.956   0.434    3.04    4       78.0        5.9
  384  10   6   1 41.997  83.993   0.434    3.04    4       23.6        0.5
  385   9   7   0 42.046  84.093   0.435    3.03    4       28.4        0.8
  386   2   8  -2 42.057  84.115   0.435    3.03    4       11.2        0.1
  387  15   3  -1 42.075  84.149   0.435    3.03    4       12.2        0.1
  388   1   7   3 42.123  84.246   0.435    3.03    4       20.6        0.4
  389  14   4  -2 42.127  84.254   0.435    3.03    4       20.4        0.4
  390   0   8   2 42.249  84.498   0.436    3.02    4        4.6        0.0
  391  16   0  -2 42.342  84.684   0.437    3.01    2      104.9        5.3
  392   2   2   5 42.345  84.689   0.437    3.01    4       44.6        1.9
  393   3   5   4 42.349  84.699   0.437    3.01    4        6.7        0.0
  394  13   1   2 42.362  84.723   0.437    3.01    4       12.5        0.2
  395   6   8  -1 42.448  84.897   0.438    3.0     4       71.5        4.9
  396   6   8   0 42.469  84.939   0.438    3.0     4       19.5        0.4
  397  15   3  -2 42.477  84.954   0.438    3.0     4       10.6        0.1
  398   2   6  -4 42.559  85.117   0.439    2.99    4        0.6        0.0
  399   8   0   4 42.602  85.205   0.439    2.99    2       16.3        0.1
  400   4   6  -4 42.604  85.208   0.439    2.99    4        6.5        0.0
  401   3   1   5 42.607  85.213   0.439    2.99    4       18.7        0.3
  402   9   5  -4 42.622  85.244   0.44     2.98    4        1.2        0.0
  403  13   5  -2 42.691  85.381   0.44     2.98    4       18.1        0.3
  404   4   8  -2 42.723  85.446   0.44     2.98    4       14.5        0.2
  405  14   4   0 42.831  85.661   0.441    2.97    4       28.7        0.8
  406  11   1   3 42.85   85.699   0.441    2.97    4       32.1        1.0
  407   9   7  -2 42.893  85.785   0.442    2.96    4       32.7        1.0
  408   1   3   5 42.995  85.991   0.443    2.95    4       33.4        1.1
  409  10   6  -3 43.069  86.137   0.443    2.95    4       30.8        0.9
  410  13   5   0 43.084  86.168   0.443    2.95    4        8.0        0.1
  411  14   0  -4 43.102  86.204   0.444    2.95    2       31.6        0.5
  412   4   4  -5 43.174  86.348   0.444    2.94    4       13.9        0.2
  413   2   8   2 43.296  86.593   0.445    2.93    4       19.9        0.4
  414  12   6  -1 43.299  86.599   0.445    2.93    4       31.3        0.9
  415  10   2  -5 43.327  86.655   0.445    2.93    4        1.8        0.0
  416   0   6   4 43.369  86.738   0.446    2.93    4       79.1        5.9
  417   2   4  -5 43.438  86.875   0.446    2.92    4       30.8        0.9
  418  15   3   0 43.489  86.978   0.447    2.92    4       30.9        0.9
  419  16   2  -1 43.491  86.982   0.447    2.92    4       32.5        1.0
  420   6   6  -4 43.505  87.01    0.447    2.92    4       76.5        5.5
  421   7   3   4 43.52   87.04    0.447    2.92    4       40.2        1.5
  422   7   7  -3 43.543  87.087   0.447    2.91    4       30.0        0.8
  423   6   6   3 43.651  87.303   0.448    2.91    4       33.1        1.0
  424  16   0   0 43.664  87.327   0.448    2.91    2       44.3        0.9
  425  16   2  -2 43.738  87.475   0.449    2.9     4       43.3        1.7
  426  11   1  -5 43.752  87.504   0.449    2.9     4       35.3        1.2
  427   6   4  -5 43.765  87.53    0.449    2.9     4       15.6        0.2
  428   9   3  -5 43.813  87.627   0.449    2.9     4        1.6        0.0
  429   3   7   3 43.907  87.815   0.45     2.89    4       71.6        4.8
  430  15   1   1 43.925  87.851   0.45     2.89    4       83.5        6.5
  431   6   4   4 43.953  87.906   0.451    2.89    4       12.9        0.2
  432  13   3  -4 43.973  87.947   0.451    2.89    4       25.0        0.6
  433   8   2   4 43.998  87.995   0.451    2.88    4        7.4        0.1
  434  12   6  -2 44.164  88.328   0.452    2.87    4       12.1        0.1
  435   6   8  -2 44.241  88.483   0.453    2.87    4       30.4        0.8
  436  12   6   0 44.247  88.495   0.453    2.87    4       39.3        1.4
  437   6   8   1 44.304  88.608   0.453    2.87    4       61.6        3.5
  438   9   7   1 44.346  88.693   0.454    2.86    4       50.6        2.4
  439  12   4  -4 44.361  88.721   0.454    2.86    4       18.2        0.3
  440   7   7   2 44.42   88.84    0.454    2.86    4       18.4        0.3
  441  14   2  -4 44.496  88.992   0.455    2.85    4       38.2        1.3
  442  14   4  -3 44.497  88.994   0.455    2.85    4        1.6        0.0
  443   0   4   5 44.555  89.111   0.455    2.85    4       20.5        0.4
  444  12   4   2 44.611  89.222   0.456    2.85    4       29.5        0.8
  445   1   9   0 44.657  89.313   0.456    2.85    4        7.6        0.1
  446  15   3  -3 44.691  89.382   0.457    2.84    4       53.7        2.6
  447  11   5   2 44.982  89.963   0.459    2.83    4       27.7        0.7


  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   2   0   0   4.951   9.902  8.92532       19.5      4.4      4.5     5.6
    2   1   1  -1   8.341  16.682  5.30978       50.9     11.5     11.6     5.6
    3   3   1   0   8.691  17.383  5.09748       20.1      4.5      4.6     5.6
    4   0   2   0   8.969  17.937  4.941        227.2     51.4     51.9     5.6
    5   1   1   1   9.357  18.714  4.73776       77.1     17.5     17.6     5.6
    6   4   0   0   9.939  19.879  4.46266       39.1      8.8      8.9     5.6
    7   3   1  -1  10.067  20.133  4.40681       15.2      3.4      3.5     5.6
    8   2   2   0  10.264  20.529  4.32281       17.3      3.9      3.9     5.6
    9   0   2   1  11.552  23.104  3.84638       19.2      4.3      4.4     5.6
   10   2   2  -1  11.849  23.699  3.75126       16.7      3.8      3.8     5.6
   11   3   1   1  12.483  24.965  3.56374       50.4     11.4     11.4     5.6
   12   5   1   0  13.262  26.524  3.35772      105.5     23.9     23.9     5.6
   13   4   2   0  13.449  26.899  3.31181       10.2      2.3      2.3     5.6
   14   1   3   0  13.756  27.512  3.23931       48.7     11.0     11.0     5.6
   15   4   2  -1  14.072  28.145  3.16797       20.0      4.5      4.5     5.6
   16   2   0  -2  14.164  28.328  3.14792      154.9     35.1     35.1     5.6
   17   0   0   2  14.561  29.121  3.0639       441.7    100.0    100.0     5.6
   18   1   1  -2  14.858  29.716  3.00392       36.1      8.2      8.2     5.6
   19   6   0   0  15.005  30.011  2.97511       30.2      6.8      6.8     5.6
   20   3   1  -2  15.327  30.655  2.91402       89.3     20.2     20.2     5.6
   21   4   0  -2  15.503  31.006  2.88183       16.1      3.6      3.6     5.6
   22   1   3   1  15.899  31.797  2.81191       68.5     15.5     15.5     5.6
   23   4   2   1  16.501  33.002  2.71195       14.9      3.4      3.4     5.6
   24   2   0   2  16.58   33.161  2.69934       35.8      8.1      8.1     5.6
   25   2   2  -2  16.866  33.732  2.65489       57.3     13.0     12.9     5.7
   26   0   2   2  17.207  34.413  2.60391        6.5      1.5      1.5     5.7
   27   6   2  -1  17.555  35.109  2.55384       10.1      2.3      2.3     5.7
   28   6   2   0  17.591  35.182  2.54874      145.9     33.0     32.9     5.7
   29   3   3   1  17.984  35.968  2.49486        7.9      1.8      1.8     5.7
   30   4   2  -2  18.025  36.05   2.48936        4.5      1.0      1.0     5.7
   31   7   1   0  18.177  36.354  2.4692        67.5     15.3     15.2     5.7
   32   6   0  -2  18.234  36.468  2.46174        5.2      1.2      1.2     5.7
   33   2   4   0  18.876  37.751  2.38097        8.0      1.8      1.8     5.7
   34   2   2   2  18.976  37.951  2.36888       12.7      2.9      2.8     5.7
   35   0   4   1  19.644  39.288  2.29129       16.7      3.8      3.7     5.7
   36   4   0   2  19.783  39.565  2.27588        7.8      1.8      1.8     5.7
   37   2   4  -1  19.83   39.659  2.2707         4.8      1.1      1.1     5.7
   38   3   3  -2  20.134  40.267  2.23782       18.0      4.1      4.0     5.7
   39   8   0   0  20.195  40.389  2.23133       51.1     11.6     11.5     5.7
   40   6   2  -2  20.462  40.924  2.20341       47.6     10.8     10.7     5.7
   41   7   1  -2  20.514  41.027  2.1981        20.2      4.6      4.5     5.7
   42   1   3   2  20.717  41.433  2.17748       14.9      3.4      3.3     5.7
   43   2   4   1  20.778  41.557  2.1713        49.4     11.2     11.1     5.7
   44   4   4   0  20.878  41.756  2.1614         6.6      1.5      1.5     5.7
   45   4   4  -1  21.307  42.613  2.11988        5.7      1.3      1.3     5.7
   46   5   3  -2  21.765  43.53   2.07732       45.2     10.2     10.1     5.7
   47   4   2   2  21.878  43.756  2.06714       25.6      5.8      5.7     5.7
   48   8   0  -2  21.912  43.824  2.06407        5.5      1.2      1.2     5.7
   49   3   1  -3  22.038  44.077  2.05283       21.7      4.9      4.9     5.7
   50   1   1  -3  22.143  44.285  2.04364       24.4      5.5      5.5     5.7
   51   8   2   0  22.258  44.516  2.03358       11.4      2.6      2.5     5.7
   52   7   3   0  22.458  44.915  2.01645       34.6      7.8      7.7     5.7
   53   1   5   0  23.087  46.173  1.9644         7.4      1.7      1.6     5.7
   54   5   1  -3  23.139  46.279  1.96016        4.7      1.1      1.1     5.7
   55   9   1   0  23.335  46.67   1.94462        6.3      1.4      1.4     5.7
   56   2   2  -3  23.405  46.811  1.9391         8.0      1.8      1.8     5.7
   57   1   1   3  23.44   46.879  1.93644       16.1      3.6      3.6     5.7
   58   0   4   2  23.611  47.222  1.92319       10.1      2.3      2.2     5.7
   59   6   4  -1  23.88   47.76   1.90275       20.6      4.7      4.6     5.7
   60   1   5  -1  24.11   48.22   1.88567       13.3      3.0      3.0     5.7
   61   4   4  -2  24.247  48.495  1.87563       41.7      9.4      9.3     5.7
   62   7   3  -2  24.457  48.915  1.86052       12.8      2.9      2.8     5.7
   63   1   5   1  24.522  49.043  1.85594       35.7      8.1      7.9     5.7
   64   3   5  -1  24.833  49.665  1.83414       24.4      5.5      5.4     5.7
   65   2   4   2  25.003  50.006  1.82245       28.9      6.5      6.4     5.7
   66   8   2   1  25.166  50.332  1.8114        28.6      6.5      6.3     5.8
   67   6   2   2  25.613  51.226  1.78187        9.0      2.0      2.0     5.8
   68   3   1   3  25.79   51.58   1.77044       26.0      5.9      5.7     5.8
   69   5   3   2  25.943  51.885  1.76076       11.5      2.6      2.6     5.8
   70   6   4  -2  26.214  52.428  1.7438        13.4      3.0      3.0     5.8
   71  10   0  -2  26.243  52.486  1.742          9.1      2.1      2.0     5.8
   72   9   1   1  26.346  52.692  1.73568       15.2      3.4      3.3     5.8
   73  10   2  -1  26.52   53.039  1.72513       10.0      2.3      2.2     5.8
   74   5   5  -1  26.621  53.241  1.71906       22.6      5.1      5.0     5.8
   75  10   2   0  27.31   54.621  1.67886       12.2      2.8      2.7     5.8
   76   4   4   2  27.399  54.797  1.67387       12.3      2.8      2.7     5.8
   77  10   2  -2  27.96   55.92   1.64289       33.6      7.6      7.4     5.8
   78   8   2  -3  28.043  56.085  1.63844       22.9      5.2      5.0     5.8
   79   8   0   2  28.35   56.699  1.62215        7.2      1.6      1.6     5.8
   80   2   6   0  28.397  56.795  1.61965        5.5      1.3      1.2     5.8
   81   7   3  -3  28.764  57.528  1.60075        5.6      1.3      1.2     5.8
   82   5   1   3  29.014  58.028  1.58812       20.1      4.5      4.4     5.8
   83   8   4  -2  29.097  58.194  1.58398        5.0      1.1      1.1     5.8
   84   2   0  -4  29.247  58.495  1.57656       18.1      4.1      4.0     5.8
   85   9   3   1  29.705  59.41   1.55443       13.8      3.1      3.0     5.8
   86   3   5   2  29.869  59.738  1.54668        5.6      1.3      1.2     5.8
   87   0   0   4  30.186  60.372  1.53195       14.0      3.2      3.1     5.8
   88   2   2  -4  30.854  61.708  1.50196       11.7      2.6      2.6     5.8
   89   9   1   2  31.216  62.432  1.48626        6.1      1.4      1.3     5.8
   90   7   1   3  32.967  65.934  1.41555        4.6      1.0      1.0     5.9
   91   2   6   2  33.221  66.442  1.40596        8.4      1.9      1.8     5.9
   92   3   7   1  35.569  71.139  1.32422        8.3      1.9      1.8     5.9
   93   5   7  -1  36.067  72.133  1.30839       11.5      2.6      2.5     5.9
   94   0   4   4  36.273  72.546  1.30195       12.7      2.9      2.7     6.0
   95   5   7  -2  38.088  76.176  1.24869        5.1      1.1      1.1     6.0
   96   7   7  -1  38.404  76.809  1.23997        6.7      1.5      1.4     6.0
   97  10   4   2  39.261  78.522  1.21715        6.1      1.4      1.3     6.0
   98   9   7  -1  41.559  83.119  1.16111        7.2      1.6      1.5     6.1
   99  15   1  -3  41.9    83.8    1.1534         5.8      1.3      1.2     6.1
  100  13   5  -1  41.978  83.956  1.15165        6.5      1.5      1.4     6.1
  101  16   0  -2  42.342  84.684  1.14361        7.4      1.7      1.5     6.1
  102   6   8  -1  42.448  84.897  1.14128        5.4      1.2      1.1     6.1
  103   0   6   4  43.369  86.738  1.12172        5.9      1.3      1.2     6.1
  104   6   6  -4  43.505  87.01   1.11891        7.0      1.6      1.5     6.1
  105  15   1   1  43.925  87.851  1.11036       11.2      2.5      2.3     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)