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       ***
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NAUJAKASITE

2

Na(6)Fe[(Si,Al)(8)Si(4)O(26)]


Monoclinic  C 2/m  Z = 2

C2/m

15 .8 .8

Ref.Str.:

         Basso R., dal Negro A., Giusta A.D., Ungaretti L. (1975)

         * Gronlands Geologiske Undersogelse, Bulletin, 116, 11-24

         R: from Tuperssuatsiait Bay, Illimaussaq complex, Narsaq, Greenland.

         N.A.D.

                   Initial data from BDM-file 

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

             a =  15.025    alpha =   90.0 
             b =   7.991    beta  =  113.67
             c =  10.468    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1151.1 

    Molar volume ( cub.cm/mol.) =   346.68

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

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

   1 0.2299  0.5     0.4403   0.0    Na    = 1.00
   2 0.343   0.5     0.1126   0.0    Na    = 1.00
   3 0.4643  0.0     0.165    0.0    Na    = 1.00
   4 0.0     0.0     0.0      0.0    Fe    = 1.00
   5 0.0584  0.1953  0.3415   0.0    Al    = 0.5 , Si    = 0.5 
   6 0.1463  0.3014  0.6507   0.0    Al    = 0.5 , Si    = 0.5 
   7 0.1505  0.3081  0.1315   0.0    Si    = 1.00
   8 0.101   0.1789  0.0102   0.0    O     = 1.00
   9 0.2681  0.2937  0.2103   0.0    O     = 1.00
  10 0.107   0.312   0.2509   0.0    O     = 1.00
  11 0.1318  0.5     0.0647   0.0    O     = 1.00
  12 0.1393  0.1973  0.5071   0.0    O     = 1.00
  13 0.036   0.0     0.2759   0.0    O     = 1.00
  14 0.0445  0.2932  0.6771   0.0    O     = 1.00
  15 0.1769  0.5     0.6338   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2299     0.5        0.4403
     2       2     0.343      0.5        0.1126
     3       3     0.4643     0.0        0.165 
     4       4     0.0        0.0        0.0   
     5       5     0.0584     0.1953     0.3415
     6       6     0.1463     0.3014     0.6507
     7       7     0.1505     0.3081     0.1315
     8       8     0.101      0.1789     0.0102
     9       9     0.2681     0.2937     0.2103
    10      10     0.107      0.312      0.2509
    11      11     0.1318     0.5        0.0647
    12      12     0.1393     0.1973     0.5071
    13      13     0.036      0.0        0.2759
    14      14     0.0445     0.2932     0.6771
    15      15     0.1769     0.5        0.6338
    16       1     0.7701     0.5        0.5597
    17       2     0.657      0.5        0.8874
    18       3     0.5357     0.0        0.835 
    19       5     0.9416     0.8047     0.6585
    20       6     0.8537     0.6986     0.3493
    21       7     0.8495     0.6919     0.8685
    22       8     0.899      0.8211     0.9898
    23       9     0.7319     0.7063     0.7897
    24      10     0.893      0.688      0.7491
    25      11     0.8682     0.5        0.9353
    26      12     0.8607     0.8027     0.4929
    27      13     0.964      0.0        0.7241
    28      14     0.9555     0.7068     0.3229
    29      15     0.8231     0.5        0.3662
    30       5     0.0584     0.8047     0.3415
    31       6     0.1463     0.6986     0.6507
    32       7     0.1505     0.6919     0.1315
    33       8     0.101      0.8211     0.0102
    34       9     0.2681     0.7063     0.2103
    35      10     0.107      0.688      0.2509
    36      12     0.1393     0.8027     0.5071
    37      14     0.0445     0.7068     0.6771
    38       5     0.9416     0.1953     0.6585
    39       6     0.8537     0.3014     0.3493
    40       7     0.8495     0.3081     0.8685
    41       8     0.899      0.1789     0.9898
    42       9     0.7319     0.2937     0.7897
    43      10     0.893      0.312      0.7491
    44      12     0.8607     0.1973     0.4929
    45      14     0.9555     0.2932     0.3229
    46       1     0.7299     0.0        0.4403
    47       2     0.843      0.0        0.1126
    48       3     0.9643     0.5        0.165 
    49       4     0.5        0.5        0.0   
    50       5     0.5584     0.3047     0.3415
    51       6     0.6463     0.1986     0.6507
    52       7     0.6505     0.1919     0.1315
    53       8     0.601      0.3211     0.0102
    54       9     0.7681     0.2063     0.2103
    55      10     0.607      0.188      0.2509
    56      11     0.6318     0.0        0.0647
    57      12     0.6393     0.3027     0.5071
    58      13     0.536      0.5        0.2759
    59      14     0.5445     0.2068     0.6771
    60      15     0.6769     0.0        0.6338
    61       1     0.2701     0.0        0.5597
    62       2     0.157      0.0        0.8874
    63       3     0.0357     0.5        0.835 
    64       5     0.4416     0.6953     0.6585
    65       6     0.3537     0.8014     0.3493
    66       7     0.3495     0.8081     0.8685
    67       8     0.399      0.6789     0.9898
    68       9     0.2319     0.7937     0.7897
    69      10     0.393      0.812      0.7491
    70      11     0.3682     0.0        0.9353
    71      12     0.3607     0.6973     0.4929
    72      13     0.464      0.5        0.7241
    73      14     0.4555     0.7932     0.3229
    74      15     0.3231     0.0        0.3662
    75       5     0.5584     0.6953     0.3415
    76       6     0.6463     0.8014     0.6507
    77       7     0.6505     0.8081     0.1315
    78       8     0.601      0.6789     0.0102
    79       9     0.7681     0.7937     0.2103
    80      10     0.607      0.812      0.2509
    81      12     0.6393     0.6973     0.5071
    82      14     0.5445     0.7932     0.6771
    83       5     0.4416     0.3047     0.6585
    84       6     0.3537     0.1986     0.3493
    85       7     0.3495     0.1919     0.8685
    86       8     0.399      0.3211     0.9898
    87       9     0.2319     0.2063     0.7897
    88      10     0.393      0.188      0.7491
    89      12     0.3607     0.3027     0.4929
    90      14     0.4555     0.2068     0.3229


X-ray density (g/cm cub.)   =      2.72

MU (1/cm) =     132.106    Mass attenuation coefficient (cm**2/g) =     48.604

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

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

    1    Na                  2.808        5
                                                 2.5803      10
                                                 2.456       15
                                                 2.5803      10
                                                 2.4047      12
                                                 2.4047      12
    2    Na                  2.808        5
                                                 2.4401       9
                                                 2.4401       9
                                                 2.7113      13
                                                 2.2962       8
                                                 2.2962       8
    3    Na                  2.808        5
                                                 2.4728      10
                                                 2.2536      11
                                                 2.3782      14
                                                 2.4728      10
                                                 2.3782      14
    4    Fe                  2.592        4
                                                 2.0562       8
                                                 2.0562       8
                                                 2.0562       8
                                                 2.0562       8
    5   Al   ,Si             2.316        4
                                                 1.6907      10
                                                 1.6706      12
                                                 1.6837      13
                                                 1.6729      14
    6   Al   ,Si             2.316        4
                                                 1.684       12
                                                 1.6612      14
                                                 1.6812      15
                                                 1.6871       9
    7    Si                  2.1          4
                                                 1.5726       8
                                                 1.6265       9
                                                 1.6267      10
                                                 1.6618      11
    8    O                   3.264        6
                                                 2.7037       9
                                                 2.7029      10
                                                 2.629       11
                                                 3.2094      13
                                                 2.8592       8
                                                 2.9558       8
    9    O                   3.264        6
                                                 2.7037       8
                                                 2.6243      10
                                                 2.5939      11
                                                 2.7877      15
                                                 2.718       12
                                                 2.6711      14
   10    O                   3.264        7
                                                 2.7029       8
                                                 2.6243       9
                                                 2.6035      11
                                                 2.6876      12
                                                 2.7653      13
                                                 3.0046      10
                                                 2.6739      14
   11    O                   3.264        6
                                                 2.629        8
                                                 2.5939       9
                                                 2.6035      10
                                                 2.629        8
                                                 2.5939       9
                                                 2.6035      10
   12    O                   3.264        7
                                                 2.6876      10
                                                 2.7814      13
                                                 2.7961      14
                                                 2.7069      15
                                                 3.1532      12
                                                 2.767       14
                                                 2.718        9
   13    O                   3.264        8
                                                 2.7653      10
                                                 2.7814      12
                                                 3.2094       8
                                                 2.7699      14
                                                 2.7653      10
                                                 2.7814      12
                                                 3.2094       8
                                                 2.7699      14
   14    O                   3.264        6
                                                 2.7961      12
                                                 2.76        15
                                                 2.7699      13
                                                 2.6739      10
                                                 2.767       12
                                                 2.6711       9
   15    O                   3.264        6
                                                 2.7069      12
                                                 2.76        14
                                                 2.7069      12
                                                 2.76        14
                                                 2.7877       9
                                                 2.7877       9

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

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

    1   0   0   1  5.353  10.706   0.052  226.8     2       11.2        4.3
    2   2   0  -1  7.236  14.472   0.07   123.1     2       82.3      125.9
    3   1   1   0  7.437  14.874   0.072  116.42    4       15.0        7.9
    4   2   0   0  7.47   14.939   0.073  115.39    2       64.9       73.4
    5   1   1  -1  8.25   16.5     0.08    94.2     4        3.4        0.3
    6   1   1   1 10.029  20.058   0.097   63.03    4       58.4       64.9
    7   2   0  -2 10.344  20.688   0.1     59.13    2      103.9       96.4
    8   0   0   2 10.754  21.508   0.104   54.54    2       51.6       21.9
    9   2   0   1 10.836  21.672   0.105   53.69    2        5.4        0.2
   10   1   1  -2 11.802  23.604   0.114   44.93    4       29.4       11.7
   11   3   1  -1 12.199  24.398   0.118   41.92    4       62.7       49.7
   12   0   2   0 12.936  25.873   0.125   37.05    2      177.1      175.4
   13   3   1   0 12.994  25.987   0.126   36.7     4      104.5      121.1
   14   3   1  -2 13.708  27.416   0.132   32.77    4       45.7       20.7
   15   4   0  -1 13.791  27.582   0.133   32.35    2       81.3       32.3
   16   0   2   1 14.036  28.072   0.136   31.17    4      108.8      111.4
   17   1   1   2 14.336  28.672   0.138   29.79    4      174.3      273.2
   18   4   0  -2 14.591  29.182   0.141   28.69    2      197.6      169.1
   19   2   2  -1 14.884  29.769   0.144   27.5     4       67.2       37.5
   20   2   0  -3 14.889  29.778   0.144   27.48    2      179.8      134.1
   21   2   2   0 15.003  30.007   0.145   27.03    4       17.5        2.5
   22   4   0   0 15.07   30.14    0.145   26.78    2      146.2       86.3
   23   2   0   2 15.475  30.95    0.149   25.29    2      142.1       77.1
   24   3   1   1 15.77   31.541   0.152   24.29    4       63.5       29.5
   25   0   0   3 16.253  32.507   0.156   22.75    2      123.1       52.1
   26   1   1  -3 16.481  32.962   0.159   22.08    4       31.3        6.5
   27   2   2  -2 16.677  33.354   0.16    21.52    4      135.7      119.6
   28   0   2   2 16.944  33.887   0.163   20.79    4      127.7      102.4
   29   3   1  -3 16.958  33.915   0.163   20.75    4      136.5      116.8
   30   2   2   1 16.998  33.995   0.163   20.65    4      181.8      205.9
   31   4   0  -3 17.206  34.413   0.165   20.11    2       25.2        1.9
   32   4   0   1 18.028  36.056   0.173   18.16    2      105.5       30.5
   33   5   1  -1 18.673  37.347   0.179   16.8     4      153.4      119.4
   34   5   1  -2 18.84   37.679   0.181   16.48    4      105.0       54.9
   35   4   2  -1 19.088  38.176   0.183   16.01    4       50.6       12.4
   36   1   1   3 19.342  38.684   0.185   15.55    4      129.2       78.4
   37   4   2  -2 19.695  39.39    0.188   14.94    4      134.5       81.6
   38   3   1   2 19.786  39.572   0.189   14.79    4       74.2       24.6
   39   2   2  -3 19.925  39.85    0.191   14.56    4      107.1       50.4
   40   1   3   0 20.001  40.002   0.191   14.43    4       37.4        6.1
   41   2   0  -4 20.021  40.042   0.191   14.4     2       55.2        6.6
   42   4   2   0 20.066  40.131   0.192   14.33    4      181.5      142.6
   43   5   1   0 20.105  40.209   0.192   14.27    4       10.9        0.5
   44   1   3  -1 20.34   40.68    0.194   13.9     4       63.7       17.0
   45   2   2   2 20.383  40.766   0.195   13.84    4       95.1       37.8
   46   5   1  -3 20.57   41.141   0.196   13.56    4       42.7        7.5
   47   2   0   3 20.657  41.315   0.197   13.43    2      188.9       72.3
   48   0   2   3 21.002  42.004   0.2     12.94    4       62.8       15.4
   49   6   0  -2 21.005  42.01    0.2     12.94    2      114.5       25.6
   50   4   0  -4 21.045  42.091   0.201   12.88    2      170.0       56.2
   51   1   3   1 21.182  42.364   0.202   12.7     4       22.5        1.9
   52   3   1  -4 21.252  42.505   0.203   12.6     4       13.3        0.7
   53   6   0  -1 21.269  42.538   0.203   12.58    2        5.2        0.1
   54   1   1  -4 21.686  43.372   0.207   12.05    4      141.2       72.5
   55   4   2  -3 21.776  43.552   0.207   11.93    4       33.4        4.0
   56   0   0   4 21.912  43.824   0.209   11.77    2       54.3        5.2
   57   4   0   2 22.086  44.171   0.21    11.56    2       82.8       12.0
   58   1   3  -2 22.143  44.285   0.211   11.49    4       37.1        4.8
   59   6   0  -3 22.202  44.404   0.211   11.42    2       13.6        0.3
   60   3   3  -1 22.373  44.746   0.213   11.23    4       66.7       15.1
   61   4   2   1 22.455  44.911   0.214   11.14    4       10.8        0.4
   62   3   3   0 22.85   45.699   0.217   10.71    4       40.7        5.4
   63   5   1   1 22.883  45.766   0.217   10.67    4       12.5        0.5
   64   6   0   0 22.954  45.909   0.218   10.6     2       77.3        9.6
   65   3   3  -2 23.295  46.589   0.221   10.25    4      192.4      114.6
   66   5   1  -4 23.581  47.162   0.224    9.97    4      112.5       38.1
   67   1   3   2 23.698  47.397   0.225    9.86    4      169.1       85.1
   68   2   2  -4 24.146  48.291   0.229    9.45    4      105.8       31.9
   69   3   1   3 24.556  49.113   0.232    9.09    4      110.4       33.5
   70   3   3   1 24.661  49.322   0.233    9.01    4        7.4        0.1
   71   6   0  -4 24.692  49.384   0.234    8.98    2       87.1       10.3
   72   2   2   3 24.697  49.393   0.234    8.98    4       58.5        9.3
   73   1   1   4 24.767  49.533   0.234    8.92    4       41.0        4.5
   74   6   2  -2 25.0    49.999   0.236    8.73    4       35.3        3.3
   75   4   2  -4 25.035  50.07    0.237    8.7     4       80.6       17.1
   76   1   3  -3 25.157  50.315   0.238    8.61    4       59.3        9.1
   77   6   2  -1 25.231  50.462   0.238    8.55    4      114.8       34.0
   78   3   3  -3 25.497  50.994   0.241    8.35    4       47.6        5.7
   79   2   0  -5 25.535  51.069   0.241    8.32    2       75.1        7.1
   80   7   1  -2 25.563  51.127   0.241    8.3     4       23.3        1.4
   81   4   0  -5 25.682  51.365   0.242    8.21    2      107.7       14.4
   82   0   2   4 25.797  51.594   0.243    8.13    4       30.4        2.3
   83   6   0   1 25.843  51.686   0.244    8.09    2       89.4        9.8
   84   4   2   2 25.95   51.9     0.245    8.02    4        1.6        0.0
   85   6   2  -3 26.054  52.107   0.246    7.95    4       36.5        3.2
   86   7   1  -1 26.145  52.291   0.246    7.88    4      101.8       24.6
   87   2   0   4 26.214  52.428   0.247    7.84    2       39.5        1.8
   88   3   1  -5 26.214  52.428   0.247    7.84    4       18.9        0.8
   89   7   1  -3 26.251  52.502   0.247    7.81    4       43.9        4.5
   90   0   4   0 26.598  53.197   0.25     7.58    2      263.2       79.3
   91   5   1   2 26.684  53.368   0.251    7.53    4      105.8       25.4
   92   6   2   0 26.723  53.447   0.251    7.5     4       74.3       12.5
   93   5   3  -1 26.761  53.522   0.252    7.48    4       75.3       12.8
   94   4   0   3 26.876  53.753   0.253    7.4     2       26.4        0.8
   95   5   3  -2 26.887  53.773   0.253    7.4     4      179.8       72.2
   96   0   4   1 27.216  54.433   0.256    7.19    4       14.3        0.4
   97   1   3   3 27.27   54.54    0.256    7.16    4      107.0       24.7
   98   1   1  -5 27.275  54.551   0.256    7.16    4       59.5        7.7
   99   5   1  -5 27.557  55.114   0.259    6.99    4       48.2        4.9
  100   3   3   2 27.612  55.224   0.259    6.96    4       44.8        4.2
  101   2   4  -1 27.718  55.435   0.26     6.9     4       19.5        0.8
  102   2   4   0 27.79   55.579   0.261    6.86    4       23.0        1.1
  103   0   0   5 27.806  55.612   0.261    6.85    2       34.3        1.2
  104   5   3   0 27.86   55.721   0.261    6.82    4       28.7        1.7
  105   7   1   0 27.941  55.882   0.262    6.78    4        5.4        0.1
  106   7   1  -4 28.143  56.287   0.264    6.67    4       58.4        6.9
  107   6   0  -5 28.222  56.444   0.264    6.63    2      116.0       13.5
  108   5   3  -3 28.226  56.452   0.264    6.62    4       54.4        5.9
  109   6   2  -4 28.29   56.581   0.265    6.59    4       36.4        2.6
  110   8   0  -2 28.474  56.949   0.267    6.49    2      209.6       43.0
  111   3   3  -4 28.768  57.537   0.269    6.34    4       96.8       17.9
  112   8   0  -3 28.786  57.571   0.269    6.34    2      108.6       11.3
  113   2   4  -2 28.842  57.684   0.27     6.31    4       12.7        0.3
  114   0   4   2 29.016  58.033   0.271    6.22    4        4.8        0.0
  115   2   4   1 29.052  58.104   0.271    6.21    4       90.0       15.2
  116   2   2  -5 29.06   58.12    0.272    6.2     4      121.6       27.7
  117   1   3  -4 29.117  58.234   0.272    6.17    4       76.2       10.8
  118   4   2  -5 29.195  58.39    0.273    6.14    4       22.9        1.0
  119   6   2   1 29.343  58.686   0.274    6.07    4       68.5        8.6
  120   8   0  -1 29.344  58.688   0.274    6.07    2       17.3        0.3
  121   2   2   4 29.684  59.367   0.277    5.91    4       40.5        2.9
  122   6   0   2 29.691  59.382   0.277    5.91    2      212.8       40.4
  123   3   1   4 29.884  59.768   0.279    5.82    4       37.7        2.5
  124   5   3   1 30.095  60.19    0.28     5.73    4       91.7       14.6
  125   8   0  -4 30.254  60.508   0.282    5.67    2       89.1        6.8
  126   4   2   3 30.296  60.591   0.282    5.65    4        2.7        0.0
  127   4   4  -1 30.48   60.96    0.284    5.57    4       32.2        1.7
  128   1   1   5 30.572  61.145   0.284    5.54    4       76.0        9.6
  129   5   3  -4 30.675  61.35    0.285    5.49    4       44.4        3.3
  130   7   1   1 30.81   61.62    0.286    5.44    4       78.6       10.2
  131   4   4  -2 30.913  61.826   0.287    5.4     4       16.7        0.5
  132   4   0  -6 30.924  61.847   0.287    5.4     2       87.2        6.2
  133   2   4  -3 31.079  62.159   0.289    5.34    4       41.2        2.7
  134   7   1  -5 31.095  62.191   0.289    5.33    4       19.9        0.6
  135   0   2   5 31.159  62.318   0.289    5.31    4       60.7        5.9
  136   4   4   0 31.181  62.363   0.289    5.3     4       44.7        3.2
  137   5   1   3 31.276  62.552   0.29     5.26    4       16.8        0.4
  138   8   0   0 31.332  62.664   0.291    5.24    2       83.6        5.5
  139   2   4   2 31.413  62.827   0.291    5.21    4       17.3        0.5
  140   2   0  -6 31.424  62.847   0.291    5.21    2       67.8        3.6
  141   3   3   3 31.496  62.992   0.292    5.18    4       73.5        8.4
  142   6   2  -5 31.547  63.095   0.292    5.16    4      169.4       44.7
  143   1   3   4 31.675  63.35    0.294    5.12    4       77.6        9.3
  144   3   1  -6 31.709  63.417   0.294    5.11    4        7.5        0.1
  145   8   2  -2 31.783  63.567   0.294    5.08    4       92.0       13.0
  146   0   4   3 31.872  63.743   0.295    5.05    4       20.1        0.6
  147   8   2  -3 32.075  64.15    0.297    4.98    4       25.4        1.0
  148   2   0   5 32.151  64.303   0.297    4.95    2       76.0        4.3
  149   4   0   4 32.252  64.503   0.298    4.92    2        6.8        0.0
  150   5   1  -6 32.293  64.586   0.299    4.91    4       83.3       10.3
  151   7   3  -2 32.357  64.714   0.299    4.89    4       23.6        0.8
  152   4   4  -3 32.455  64.909   0.3      4.86    4       12.1        0.2
  153   6   0  -6 32.593  65.185   0.301    4.81    2       71.3        3.7
  154   8   2  -1 32.599  65.199   0.301    4.81    4        6.8        0.1
  155   8   0  -5 32.787  65.573   0.303    4.75    2       62.6        2.8
  156   7   3  -1 32.86   65.72    0.303    4.73    4       12.6        0.2
  157   3   3  -5 32.92   65.839   0.304    4.71    4      154.3       33.8
  158   6   2   2 32.927  65.853   0.304    4.71    4       62.5        5.6
  159   7   3  -3 32.952  65.904   0.304    4.7     4      134.5       25.7
  160   4   4   1 32.976  65.952   0.304    4.69    4       11.8        0.2
  161   1   1  -6 33.266  66.533   0.307    4.61    4       93.0       12.0
  162   9   1  -3 33.312  66.624   0.307    4.59    4       24.4        0.8
  163   5   3   2 33.329  66.658   0.307    4.59    4       52.6        3.8
  164   9   1  -2 33.331  66.662   0.307    4.59    4        6.2        0.1
  165   8   2  -4 33.458  66.917   0.308    4.55    4      113.5       17.7
  166   1   3  -5 33.848  67.696   0.311    4.44    4       28.9        1.1
  167   0   0   6 34.04   68.08    0.313    4.39    2      197.6       25.9
  168   4   2  -6 34.093  68.186   0.313    4.37    4       13.3        0.2
  169   5   3  -5 34.096  68.193   0.313    4.37    4       40.2        2.1
  170   1   5   0 34.293  68.587   0.315    4.32    4        9.7        0.1
  171   2   4  -4 34.307  68.614   0.315    4.32    4       36.6        1.7
  172   8   0   1 34.33   68.661   0.315    4.31    2      118.6        9.2
  173   6   0   3 34.332  68.664   0.315    4.31    2       61.0        2.4
  174   9   1  -4 34.372  68.743   0.316    4.3     4       22.1        0.6
  175   9   1  -1 34.427  68.855   0.316    4.29    4       66.7        5.8
  176   7   3   0 34.437  68.873   0.316    4.28    4      200.2       51.9
  177   8   2   0 34.481  68.963   0.316    4.27    4        8.3        0.1
  178   1   5  -1 34.529  69.058   0.317    4.26    4       21.7        0.6
  179   2   2  -6 34.569  69.137   0.317    4.25    4       88.3       10.0
  180   7   1   2 34.606  69.211   0.317    4.24    4      111.2       15.8
  181   7   3  -4 34.616  69.233   0.318    4.24    4      168.6       36.4
  182   2   4   3 34.751  69.503   0.319    4.21    4       62.5        5.0
  183   7   1  -6 34.964  69.927   0.32     4.15    4        6.2        0.0
  184   6   4  -2 34.998  69.995   0.321    4.15    4       17.3        0.4
  185   4   4  -4 35.026  70.053   0.321    4.14    4      114.3       16.3
  186   1   5   1 35.124  70.248   0.322    4.12    4       32.4        1.3
  187   6   4  -1 35.187  70.373   0.322    4.1     4       54.3        3.7
  188   2   2   5 35.263  70.526   0.323    4.08    4       16.5        0.3
  189   4   2   4 35.359  70.718   0.323    4.06    4       14.3        0.2
  190   0   4   4 35.652  71.305   0.326    3.99    4       32.0        1.2
  191   6   2  -6 35.685  71.37    0.326    3.99    4       73.3        6.5
  192   3   1   5 35.741  71.481   0.327    3.98    4       50.8        3.1
  193   4   4   2 35.779  71.559   0.327    3.97    4       30.2        1.1
  194   1   5  -2 35.821  71.643   0.327    3.96    4       64.8        5.0
  195   6   4  -3 35.865  71.73    0.328    3.95    4       49.5        2.9
  196   8   2  -5 35.871  71.742   0.328    3.95    4       47.0        2.6
  197   3   5  -1 35.991  71.983   0.329    3.92    4      103.9       12.8
  198   3   3   4 36.18   72.36    0.33     3.88    4      286.2       96.0
  199   8   0  -6 36.273  72.545   0.331    3.86    2       61.2        2.2
  200   3   5   0 36.346  72.693   0.331    3.85    4      126.0       18.4
  201   6   4   0 36.425  72.85    0.332    3.83    4       70.5        5.8
  202   9   1  -5 36.466  72.931   0.332    3.82    4       45.6        2.4
  203   9   1   0 36.556  73.112   0.333    3.81    4       11.5        0.2
  204  10   0  -3 36.557  73.113   0.333    3.81    2       69.6        2.8
  205   5   1   4 36.559  73.118   0.333    3.8     4        8.5        0.1
  206   3   5  -2 36.682  73.364   0.334    3.78    4      121.3       16.8
  207   4   0  -7 36.736  73.473   0.334    3.77    2       47.6        1.3
  208   1   3   5 36.806  73.613   0.335    3.76    4       40.4        1.8
  209   1   1   6 36.829  73.658   0.335    3.75    4       43.8        2.2
  210  10   0  -2 36.866  73.731   0.335    3.75    2       91.9        4.8
  211   1   5   2 36.99   73.979   0.336    3.72    4      238.4       63.9
  212   7   3   1 37.023  74.047   0.337    3.72    4       66.8        5.0
  213   0   2   6 37.076  74.153   0.337    3.71    4      121.4       16.5
  214   7   3  -5 37.285  74.57    0.339    3.67    4       43.4        2.1
  215  10   0  -4 37.287  74.573   0.339    3.67    2      233.0       30.0
  216   8   2   1 37.356  74.713   0.339    3.65    4       41.1        1.9
  217   6   2   3 37.358  74.716   0.339    3.65    4      112.3       13.9
  218   5   3   3 37.451  74.901   0.34     3.64    4      115.6       14.7
  219   6   0  -7 37.708  75.415   0.342    3.59    2       54.1        1.6
  220   5   1  -7 37.716  75.432   0.342    3.59    4        0.2        0.0
  221   3   5   1 37.735  75.471   0.342    3.59    4       86.1        8.0
  222   3   1  -7 37.75   75.499   0.342    3.59    4       71.4        5.5
  223   6   4  -4 37.759  75.519   0.342    3.58    4        5.6        0.0
  224   2   0  -7 37.775  75.55    0.342    3.58    2        2.0        0.0
  225   3   3  -6 37.849  75.699   0.343    3.57    4      113.9       14.0
  226   1   5  -3 38.126  76.253   0.345    3.52    4       43.5        2.0
  227  10   0  -1 38.205  76.409   0.346    3.51    2       52.2        1.4
  228   4   0   5 38.209  76.418   0.346    3.51    2      129.2        8.8
  229   8   0   2 38.241  76.482   0.346    3.5     2       20.5        0.2
  230   5   3  -6 38.39   76.78    0.347    3.48    4      163.0       27.9
  231   3   5  -3 38.397  76.793   0.347    3.48    4      126.0       16.7
  232   2   4  -5 38.427  76.853   0.347    3.48    4       62.4        4.1
  233   4   4  -5 38.545  77.089   0.348    3.46    4       63.9        4.3
  234   2   0   6 38.568  77.136   0.349    3.45    2      160.6       13.4
  235   6   4   1 38.674  77.348   0.349    3.44    4       70.9        5.2
  236   2   4   4 38.973  77.946   0.352    3.39    4       30.0        0.9
  237  10   0  -5 39.035  78.07    0.352    3.38    2      248.5       31.5
  238   7   1   3 39.24   78.48    0.354    3.36    4        2.1        0.0
  239   8   2  -6 39.24   78.48    0.354    3.36    4       95.3        9.2
  240   1   3  -6 39.297  78.594   0.354    3.35    4       69.8        4.9
  241   9   3  -3 39.34   78.68    0.354    3.34    4       49.5        2.5
  242   9   3  -2 39.357  78.715   0.354    3.34    4       73.9        5.5
  243   5   5  -1 39.419  78.838   0.355    3.33    4      140.4       19.8
  244   4   4   3 39.514  79.028   0.356    3.32    4       12.6        0.2
  245  10   2  -3 39.516  79.033   0.356    3.32    4      123.8       15.3
  246   5   5  -2 39.522  79.044   0.356    3.32    4       63.5        4.0
  247   9   1  -6 39.533  79.066   0.356    3.32    4      102.3       10.5
  248   9   1   1 39.656  79.313   0.357    3.3     4       44.3        2.0
  249   7   1  -7 39.667  79.335   0.357    3.3     4      106.0       11.2
  250   4   2  -7 39.692  79.383   0.357    3.29    4       11.8        0.1
  251   6   0   4 39.712  79.423   0.357    3.29    2      146.2       10.6
  252   1   1  -7 39.767  79.534   0.358    3.28    4       60.8        3.7
  253  10   2  -2 39.818  79.636   0.358    3.28    4       63.8        4.0
  254   1   5   3 39.838  79.676   0.358    3.28    4       87.7        7.6
  255   3   5   2 40.123  80.245   0.36     3.24    4       80.7        6.4
  256  10   2  -4 40.229  80.458   0.361    3.23    4       47.0        2.2
  257   0   4   5 40.284  80.569   0.361    3.22    4        0.3        0.0
  258   5   5   0 40.33   80.66    0.362    3.21    4        8.2        0.1
  259   9   3  -4 40.336  80.672   0.362    3.21    4       26.7        0.7
  260   9   3  -1 40.389  80.777   0.362    3.21    4       23.0        0.5
  261  10   0   0 40.541  81.083   0.363    3.19    2      201.6       19.6
  262   7   3   2 40.557  81.114   0.363    3.19    4       66.3        4.2
  263   6   4  -5 40.634  81.268   0.364    3.18    4       26.1        0.7
  264   5   5  -3 40.637  81.275   0.364    3.18    4       41.1        1.6
  265   6   2  -7 40.641  81.282   0.364    3.18    4       69.5        4.6
  266   8   0  -7 40.642  81.283   0.364    3.18    2       16.4        0.1
  267   2   2  -7 40.707  81.414   0.365    3.17    4      105.5       10.6
  268   0   0   7 40.774  81.547   0.365    3.16    2       19.6        0.2
  269   8   4  -2 40.847  81.694   0.366    3.15    4       63.7        3.9
  270   7   3  -6 40.897  81.793   0.366    3.15    4       67.1        4.3
  271   3   5  -4 41.097  82.194   0.367    3.13    4       57.2        3.1
  272   8   4  -3 41.111  82.223   0.368    3.13    4       55.4        2.9
  273  10   2  -1 41.128  82.256   0.368    3.12    4       22.0        0.5
  274   4   2   5 41.132  82.265   0.368    3.12    4        9.5        0.1
  275   8   2   2 41.163  82.327   0.368    3.12    4      156.9       23.2
  276   1   5  -4 41.395  82.789   0.37     3.1     4      186.1       32.4
  277   2   2   6 41.484  82.969   0.37     3.09    4       30.2        0.9
  278   8   4  -1 41.589  83.179   0.371    3.08    4        2.4        0.0
  279  11   1  -3 41.635  83.27    0.371    3.07    4       36.9        1.3
  280   3   3   5 41.636  83.273   0.371    3.07    4       17.8        0.3
  281  10   0  -6 41.767  83.534   0.372    3.06    2      155.8       11.2
  282   6   4   2 41.889  83.778   0.373    3.05    4       78.9        5.7
  283  10   2  -5 41.944  83.887   0.374    3.04    4       21.9        0.4
  284  11   1  -4 42.06   84.119   0.374    3.03    4       28.3        0.7
  285   0   6   0 42.191  84.381   0.375    3.02    2      275.0       34.5
  286  11   1  -2 42.214  84.427   0.376    3.02    4      137.1       17.1
  287   3   1   6 42.219  84.439   0.376    3.02    4       17.9        0.3
  288   5   5   1 42.24   84.48    0.376    3.02    4       35.9        1.2
  289   9   3  -5 42.33   84.661   0.376    3.01    4       32.3        0.9
  290   8   4  -4 42.379  84.758   0.377    3.0     4       68.6        4.3
  291   9   3   0 42.417  84.835   0.377    3.0     4       33.3        1.0
  292   5   3   4 42.42   84.84    0.377    3.0     4       40.8        1.5
  293   5   1   5 42.561  85.122   0.378    2.99    4       41.7        1.6
  294   6   2   4 42.61   85.221   0.378    2.99    4       96.5        8.4
  295   1   3   6 42.68   85.36    0.379    2.98    4       24.9        0.6
  296   0   6   1 42.691  85.383   0.379    2.98    4       46.5        1.9
  297   5   5  -4 42.748  85.496   0.379    2.97    4      109.2       10.7
  298   4   4  -6 42.967  85.935   0.381    2.96    4       49.1        2.2
  299   8   0   3 43.027  86.054   0.381    2.95    2       31.3        0.4
  300   2   6  -1 43.103  86.206   0.382    2.95    4       70.5        4.4
  301   2   6   0 43.162  86.324   0.382    2.94    4       32.8        1.0
  302   4   0  -8 43.214  86.428   0.383    2.94    2      249.5       27.6
  303   8   4   0 43.33   86.659   0.384    2.93    4       34.0        1.0
  304   2   4  -6 43.411  86.822   0.384    2.92    4       66.2        3.9
  305  10   2   0 43.43   86.86    0.384    2.92    4      114.5       11.6
  306   3   5   3 43.476  86.952   0.385    2.92    4      104.0        9.5
  307  11   1  -5 43.484  86.967   0.385    2.92    4       37.3        1.2
  308   8   2  -7 43.529  87.058   0.385    2.92    4       59.9        3.2
  309   5   3  -7 43.536  87.073   0.385    2.91    4       22.3        0.4
  310   9   1  -7 43.538  87.076   0.385    2.91    4       48.2        2.0
  311   3   3  -7 43.569  87.138   0.385    2.91    4       58.5        3.0
  312   6   0  -8 43.592  87.185   0.385    2.91    2       22.5        0.2
  313   1   5   4 43.636  87.271   0.386    2.91    4        0.6        0.0
  314   0   2   7 43.66   87.32    0.386    2.91    4      118.9       12.4
  315   9   1   2 43.694  87.388   0.386    2.9     4       47.2        2.0
  316   1   1   7 43.701  87.402   0.386    2.9     4        0.7        0.0
  317  11   1  -1 43.79   87.581   0.387    2.9     4       68.9        4.2
  318  10   0   1 43.848  87.695   0.387    2.89    2      112.4        5.5
  319   5   1  -8 43.88   87.759   0.387    2.89    4       59.7        3.1
  320   2   6  -2 44.042  88.084   0.389    2.88    4        9.4        0.1
  321   2   4   5 44.064  88.127   0.389    2.88    4       40.4        1.4
  322   4   4   4 44.154  88.308   0.389    2.87    4       29.2        0.7
  323   0   6   2 44.19   88.38    0.39     2.87    4       24.8        0.5
  324   2   6   1 44.22   88.44    0.39     2.87    4       24.2        0.5
  325   7   5  -2 44.249  88.499   0.39     2.87    4       24.4        0.5
  326   6   4  -6 44.463  88.925   0.392    2.86    4       14.5        0.2
  327   3   1  -8 44.47   88.941   0.392    2.86    4       28.7        0.7
  328   8   4  -5 44.639  89.278   0.393    2.85    4       72.0        4.5
  329  10   2  -6 44.645  89.291   0.393    2.85    4      163.8       23.1
  330   7   5  -1 44.706  89.412   0.393    2.84    4      117.0       11.7
  331   7   1   4 44.722  89.445   0.393    2.84    4       70.5        4.3
  332   3   5  -5 44.76   89.521   0.394    2.84    4       48.5        2.0
  333   2   0  -8 44.774  89.548   0.394    2.84    2       79.7        2.7
  334   7   5  -3 44.79   89.58    0.394    2.84    4      102.1        8.9
  335   4   0   6 44.874  89.749   0.394    2.83    2      101.4        4.4


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (angs.):

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

    1   0   0   1   5.353  10.706  9.58736        4.3      1.6      1.6     5.6
    2   2   0  -1   7.236  14.472  7.10121      125.9     46.1     46.5     5.6
    3   1   1   0   7.437  14.874  6.91037        7.9      2.9      2.9     5.6
    4   2   0   0   7.47   14.939  6.88049       73.4     26.9     27.1     5.6
    5   1   1   1  10.029  20.058  5.13622       64.9     23.7     23.9     5.6
    6   2   0  -2  10.344  20.688  4.98157       96.4     35.3     35.5     5.6
    7   0   0   2  10.754  21.508  4.79368       21.9      8.0      8.1     5.6
    8   1   1  -2  11.802  23.604  4.37327       11.7      4.3      4.3     5.6
    9   3   1  -1  12.199  24.398  4.233         49.7     18.2     18.3     5.6
   10   0   2   0  12.936  25.873  3.9955       175.4     64.2     64.3     5.6
   11   3   1   0  12.994  25.987  3.97818      121.1     44.3     44.4     5.6
   12   3   1  -2  13.708  27.416  3.77456       20.7      7.6      7.6     5.6
   13   4   0  -1  13.791  27.582  3.75219       32.3     11.8     11.8     5.6
   14   0   2   1  14.036  28.072  3.68805      111.4     40.8     40.8     5.6
   15   1   1   2  14.336  28.672  3.61243      273.2    100.0    100.0     5.6
   16   4   0  -2  14.591  29.182  3.55061      169.1     61.9     61.9     5.6
   17   2   0  -3  14.889  29.778  3.48111      171.6     62.8     62.7     5.6
   18   4   0   0  15.07   30.14   3.44025       86.3     31.6     31.6     5.6
   19   2   0   2  15.475  30.95   3.3523        77.1     28.2     28.2     5.6
   20   3   1   1  15.77   31.541  3.2911        29.5     10.8     10.8     5.6
   21   0   0   3  16.253  32.507  3.19579       52.1     19.1     19.0     5.6
   22   1   1  -3  16.481  32.962  3.15288        6.5      2.4      2.4     5.6
   23   2   2  -2  16.677  33.354  3.11683      119.6     43.8     43.6     5.7
   24   3   1  -3  16.958  33.915  3.06674      219.1     80.2     79.8     5.7
   25   2   2   1  16.998  33.995  3.05973      205.9     75.4     75.0     5.7
   26   4   0   1  18.028  36.056  2.89017       30.5     11.2     11.1     5.7
   27   5   1  -1  18.673  37.347  2.79367      119.4     43.7     43.4     5.7
   28   5   1  -2  18.84   37.679  2.76991       54.9     20.1     19.9     5.7
   29   4   2  -1  19.088  38.176  2.73517       12.4      4.5      4.5     5.7
   30   1   1   3  19.342  38.684  2.7006        78.4     28.7     28.4     5.7
   31   4   2  -2  19.695  39.39   2.65407       81.6     29.9     29.6     5.7
   32   3   1   2  19.786  39.572  2.64239       24.6      9.0      8.9     5.7
   33   2   2  -3  19.925  39.85   2.62466       50.4     18.4     18.3     5.7
   34   2   0  -4  20.021  40.042  2.61261       12.7      4.6      4.6     5.7
   35   4   2   0  20.066  40.131  2.60702      142.6     52.2     51.6     5.7
   36   1   3  -1  20.34   40.68   2.57329       17.0      6.2      6.2     5.7
   37   2   2   2  20.383  40.766  2.56811       37.8     13.8     13.7     5.7
   38   5   1  -3  20.57   41.141  2.54572        7.5      2.7      2.7     5.7
   39   2   0   3  20.657  41.315  2.53548       72.3     26.5     26.2     5.7
   40   6   0  -2  21.005  42.01   2.49537       41.0     15.0     14.8     5.7
   41   4   0  -4  21.045  42.091  2.49078       56.2     20.6     20.3     5.7
   42   1   1  -4  21.686  43.372  2.42062       72.5     26.5     26.2     5.7
   43   4   2  -3  21.776  43.552  2.4111         4.0      1.5      1.5     5.7
   44   0   0   4  21.912  43.824  2.39684        5.2      1.9      1.9     5.7
   45   4   0   2  22.086  44.171  2.37894       12.0      4.4      4.3     5.7
   46   1   3  -2  22.143  44.285  2.37311        4.8      1.7      1.7     5.7
   47   3   3  -1  22.373  44.746  2.34991       15.1      5.5      5.4     5.7
   48   3   3   0  22.85   45.699  2.30346        5.4      2.0      1.9     5.7
   49   6   0   0  22.954  45.909  2.2935         9.6      3.5      3.4     5.7
   50   3   3  -2  23.295  46.589  2.26183      114.6     41.9     41.2     5.7
   51   5   1  -4  23.581  47.162  2.2359        38.1     13.9     13.7     5.7
   52   1   3   2  23.698  47.397  2.22546       85.1     31.1     30.6     5.7
   53   2   2  -4  24.146  48.291  2.18663       31.9     11.7     11.5     5.7
   54   3   1   3  24.556  49.113  2.15228       33.5     12.3     12.0     5.7
   55   6   0  -4  24.692  49.384  2.1412        19.5      7.2      7.0     5.7
   56   1   1   4  24.767  49.533  2.13514        4.5      1.7      1.6     5.7
   57   6   2  -2  25.0    49.999  2.1165         3.3      1.2      1.2     5.7
   58   4   2  -4  25.035  50.07   2.1137        17.1      6.2      6.1     5.7
   59   1   3  -3  25.157  50.315  2.10408        9.1      3.3      3.3     5.8
   60   6   2  -1  25.231  50.462  2.09835       34.0     12.4     12.2     5.8
   61   3   3  -3  25.497  50.994  2.07789        5.7      2.1      2.0     5.8
   62   2   0  -5  25.535  51.069  2.07504        8.4      3.1      3.0     5.8
   63   4   0  -5  25.682  51.365  2.06391       14.4      5.3      5.1     5.8
   64   6   0   1  25.843  51.686  2.05194        9.8      3.6      3.5     5.8
   65   6   2  -3  26.054  52.107  2.03651        3.2      1.2      1.1     5.8
   66   7   1  -1  26.145  52.291  2.02987       24.6      9.0      8.8     5.8
   67   7   1  -3  26.251  52.502  2.02225        4.5      1.7      1.6     5.8
   68   0   4   0  26.598  53.197  1.99775       79.3     29.0     28.3     5.8
   69   5   1   2  26.684  53.368  1.99182       25.4      9.3      9.1     5.8
   70   6   2   0  26.723  53.447  1.98909       12.5      4.6      4.5     5.8
   71   5   3  -1  26.761  53.522  1.98649       12.8      4.7      4.6     5.8
   72   5   3  -2  26.887  53.773  1.97789       72.2     26.4     25.7     5.8
   73   1   3   3  27.27   54.54   1.95219       32.4     11.9     11.5     5.8
   74   5   1  -5  27.557  55.114  1.93342        4.9      1.8      1.7     5.8
   75   3   3   2  27.612  55.224  1.92986        4.2      1.5      1.5     5.8
   76   7   1  -4  28.143  56.287  1.89633        6.9      2.5      2.4     5.8
   77   6   0  -5  28.222  56.444  1.89147       19.4      7.1      6.9     5.8
   78   8   0  -2  28.474  56.949  1.87609       43.0     15.8     15.3     5.8
   79   3   3  -4  28.768  57.537  1.85854       29.2     10.7     10.4     5.8
   80   2   2  -5  29.06   58.12   1.8415        42.8     15.7     15.2     5.8
   81   1   3  -4  29.117  58.234  1.8382        10.8      4.0      3.8     5.8
   82   6   2   1  29.343  58.686  1.8253         8.9      3.2      3.1     5.8
   83   6   0   2  29.691  59.382  1.80581       43.3     15.9     15.3     5.8
   84   5   3   1  30.095  60.19   1.78381       14.6      5.3      5.1     5.8
   85   8   0  -4  30.254  60.508  1.7753         6.8      2.5      2.4     5.8
   86   1   1   5  30.572  61.145  1.75857        9.6      3.5      3.4     5.8
   87   5   3  -4  30.675  61.35   1.75328        3.3      1.2      1.2     5.8
   88   7   1   1  30.81   61.62   1.74634       10.2      3.7      3.6     5.8
   89   4   0  -6  30.924  61.847  1.74055        6.2      2.3      2.2     5.8
   90   2   4  -3  31.079  62.159  1.7327         3.4      1.2      1.2     5.8
   91   0   2   5  31.159  62.318  1.72871        9.1      3.3      3.2     5.8
   92   8   0   0  31.332  62.664  1.72012        5.5      2.0      1.9     5.8
   93   2   0  -6  31.424  62.847  1.71562        3.6      1.3      1.3     5.9
   94   3   3   3  31.496  62.992  1.71207        8.4      3.1      3.0     5.9
   95   6   2  -5  31.547  63.095  1.70958       44.7     16.4     15.7     5.9
   96   1   3   4  31.675  63.35   1.70341        9.3      3.4      3.3     5.9
   97   8   2  -2  31.783  63.567  1.6982        13.0      4.7      4.6     5.9
   98   2   0   5  32.151  64.303  1.68081        4.3      1.6      1.5     5.9
   99   5   1  -6  32.293  64.586  1.67423       10.3      3.8      3.6     5.9
  100   6   0  -6  32.593  65.185  1.66052        3.8      1.4      1.3     5.9
  101   8   0  -5  32.787  65.573  1.65179        2.8      1.0      1.0     5.9
  102   3   3  -5  32.92   65.839  1.64585       39.4     14.4     13.8     5.9
  103   7   3  -3  32.952  65.904  1.64441       25.9      9.5      9.1     5.9
  104   1   1  -6  33.266  66.533  1.63065       12.0      4.4      4.2     5.9
  105   5   3   2  33.329  66.658  1.62792        3.9      1.4      1.4     5.9
  106   8   2  -4  33.458  66.917  1.62236       17.7      6.5      6.2     5.9
  107   0   0   6  34.04   68.08   1.59789       25.9      9.5      9.0     5.9
  108   6   0   3  34.332  68.664  1.58596       13.3      4.9      4.6     5.9
  109   7   3   0  34.437  68.873  1.58173       57.6     21.1     20.1     5.9
  110   2   2  -6  34.569  69.137  1.57644       10.0      3.7      3.5     5.9
  111   7   3  -4  34.616  69.233  1.57453       52.2     19.1     18.2     5.9
  112   2   4   3  34.751  69.503  1.56919        5.0      1.8      1.7     5.9
  113   4   4  -4  35.026  70.053  1.55842       16.3      6.0      5.7     5.9
  114   6   4  -1  35.187  70.373  1.55223        3.7      1.3      1.3     5.9
  115   6   2  -6  35.685  71.37   1.53337        6.5      2.4      2.2     5.9
  116   3   1   5  35.741  71.481  1.5313         3.1      1.1      1.1     5.9
  117   1   5  -2  35.821  71.643  1.52831        5.0      1.8      1.7     5.9
  118   6   4  -3  35.865  71.73   1.52669        5.5      2.0      1.9     5.9
  119   3   5  -1  35.991  71.983  1.52206       12.8      4.7      4.4     5.9
  120   3   3   4  36.18   72.36   1.5152        96.0     35.1     33.2     5.9
  121   3   5   0  36.346  72.693  1.50922       18.4      6.7      6.4     6.0
  122   6   4   0  36.425  72.85   1.50641        5.8      2.1      2.0     6.0
  123  10   0  -3  36.557  73.113  1.50174        2.9      1.0      1.0     6.0
  124   3   5  -2  36.682  73.364  1.49732       16.8      6.2      5.8     6.0
  125   1   1   6  36.829  73.658  1.49218        4.0      1.5      1.4     6.0
  126  10   0  -2  36.866  73.731  1.49091        4.8      1.7      1.7     6.0
  127   1   5   2  36.99   73.979  1.48663       63.9     23.4     22.0     6.0
  128   7   3   1  37.023  74.047  1.48547        5.0      1.8      1.7     6.0
  129   0   2   6  37.076  74.153  1.48365       16.5      6.0      5.7     6.0
  130  10   0  -4  37.287  74.573  1.47649       32.1     11.8     11.1     6.0
  131   6   2   3  37.358  74.716  1.47408       15.8      5.8      5.4     6.0
  132   5   3   3  37.451  74.901  1.47096       14.7      5.4      5.1     6.0
  133   3   5   1  37.735  75.471  1.4615        15.2      5.6      5.2     6.0
  134   3   3  -6  37.849  75.699  1.45776       14.0      5.1      4.8     6.0
  135   4   0   5  38.209  76.418  1.4461        10.3      3.8      3.5     6.0
  136   5   3  -6  38.39   76.78   1.44032       44.6     16.3     15.3     6.0
  137   2   4  -5  38.427  76.853  1.43917        4.1      1.5      1.4     6.0
  138   2   0   6  38.568  77.136  1.43472       17.7      6.5      6.1     6.0
  139   6   4   1  38.674  77.348  1.4314         5.2      1.9      1.8     6.0
  140  10   0  -5  39.035  78.07   1.42024       31.5     11.5     10.8     6.0
  141   8   2  -6  39.24   78.48   1.41402        9.2      3.4      3.1     6.0
  142   1   3  -6  39.297  78.594  1.41229        4.9      1.8      1.7     6.0
  143   9   3  -2  39.357  78.715  1.41047        8.0      2.9      2.7     6.0
  144   5   5  -1  39.419  78.838  1.40863       19.8      7.3      6.8     6.0
  145  10   2  -3  39.516  79.033  1.40573       29.9     10.9     10.2     6.0
  146   7   1  -7  39.667  79.335  1.40125       13.1      4.8      4.5     6.0
  147   6   0   4  39.712  79.423  1.39995       10.6      3.9      3.6     6.0
  148   1   1  -7  39.767  79.534  1.39833        3.7      1.3      1.3     6.0
  149   1   5   3  39.838  79.676  1.39624       11.6      4.3      4.0     6.0
  150   3   5   2  40.123  80.245  1.388          6.4      2.3      2.2     6.0
  151  10   0   0  40.541  81.083  1.3761        23.8      8.7      8.1     6.1
  152   6   2  -7  40.641  81.282  1.37331        6.4      2.3      2.2     6.1
  153   2   2  -7  40.707  81.414  1.37148       10.6      3.9      3.6     6.1
  154   8   4  -2  40.847  81.694  1.36759        3.9      1.4      1.3     6.1
  155   7   3  -6  40.897  81.793  1.36622        4.3      1.6      1.5     6.1
  156   3   5  -4  41.097  82.194  1.36074        6.0      2.2      2.0     6.1
  157   8   2   2  41.163  82.327  1.35893       23.2      8.5      7.9     6.1
  158   1   5  -4  41.395  82.789  1.3527        32.4     11.8     11.0     6.1
  159  10   0  -6  41.767  83.534  1.34282       11.2      4.1      3.8     6.1
  160   6   4   2  41.889  83.778  1.33963        5.7      2.1      1.9     6.1
  161   0   6   0  42.191  84.381  1.33183       51.9     19.0     17.5     6.1
  162   8   4  -4  42.379  84.758  1.32703        4.3      1.6      1.4     6.1
  163   6   2   4  42.61   85.221  1.32119        8.4      3.1      2.8     6.1
  164   5   5  -4  42.748  85.496  1.31776       10.7      3.9      3.6     6.1
  165   2   6  -1  43.103  86.206  1.30901        4.4      1.6      1.5     6.1
  166   4   0  -8  43.214  86.428  1.30631       27.6     10.1      9.3     6.1
  167  10   2   0  43.43   86.86   1.30109       15.4      5.6      5.2     6.1
  168   3   5   3  43.476  86.952  1.29999       10.8      3.9      3.6     6.1
  169   8   2  -7  43.529  87.058  1.29872        5.6      2.1      1.9     6.1
  170   3   3  -7  43.569  87.138  1.29777        3.2      1.2      1.1     6.2
  171   0   2   7  43.66   87.32   1.29562       12.4      4.5      4.2     6.2
  172  11   1  -1  43.79   87.581  1.29253        4.2      1.5      1.4     6.2
  173  10   0   1  43.848  87.695  1.29119        5.5      2.0      1.8     6.2
  174   5   1  -8  43.88   87.759  1.29044        3.1      1.1      1.0     6.2
  175  10   2  -6  44.645  89.291  1.27286       27.5     10.1      9.2     6.2
  176   7   5  -1  44.706  89.412  1.2715        16.0      5.9      5.3     6.2
  177   7   5  -3  44.79   89.58   1.26962       13.7      5.0      4.5     6.2
  178   4   0   6  44.874  89.749  1.26774        4.4      1.6      1.5     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)