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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FAIRFIELDITE

2, t-fairfieldite, analogue

K(2)Mg[CrO(4)](2).2H(2)O


Triclinic  P 1(-)  Z = 1

P1(-)

24 .2 .14

Ref.Str.:

         Fleck M., Kolitsch U. (2003)

         * Z. Kristallogr., 218, 553-567

         R: In original - synthetic compounds with krohnkite-type chains.

         N.A.D.

                   Initial data from BDM-file 

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

             a =   5.674    alpha =  110.38
             b =   6.462    beta  =   95.24
             c =   7.515    gamma =  109.86

    Unit cell volume (cub. angs.) =   235.96

    Molar volume ( cub.cm/mol.) =   142.13

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

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

   1 0.6649  0.3032  0.7599   0.0    K     = 1.00
   2 0.0     0.0     0.0      0.0    Mg    = 1.00
   3 0.6671  0.3353  0.2341   0.0    Cr    = 1.00
   4 0.6305  0.1853  0.3695   0.0    O     = 1.00
   5 0.7699  0.6266  0.3709   0.0    O     = 1.00
   6 0.3867  0.2523  0.0826   0.0    O     = 1.00
   7 0.8813  0.287   0.1043   0.0    O     = 1.00
   8 0.9575  0.0113  0.7318   0.0    H(2)O = 1.00
   9 0.078   0.129   0.727    0.0    H     = 1.00
  10 0.908   0.873   0.637    0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6649     0.3032     0.7599
     2       2     0.0        0.0        0.0   
     3       3     0.6671     0.3353     0.2341
     4       4     0.6305     0.1853     0.3695
     5       5     0.7699     0.6266     0.3709
     6       6     0.3867     0.2523     0.0826
     7       7     0.8813     0.287      0.1043
     8       8     0.9575     0.0113     0.7318
     9       9     0.078      0.129      0.727 
    10      10     0.908      0.873      0.637 
    11       1     0.3351     0.6968     0.2401
    12       3     0.3329     0.6647     0.7659
    13       4     0.3695     0.8147     0.6305
    14       5     0.2301     0.3734     0.6291
    15       6     0.6133     0.7477     0.9174
    16       7     0.1187     0.713      0.8957
    17       8     0.0425     0.9887     0.2682
    18       9     0.922      0.871      0.273 
    19      10     0.092      0.127      0.363 


X-ray density (g/cm cub.)   =      2.63

MU (1/cm) =     288.759    Mass attenuation coefficient (cm**2/g) =    109.589

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

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

    1    K                   3.396        9
                                                 2.7322       4
                                                 3.063        6
                                                 2.8129       7
                                                 2.8766       8
                                                 2.7731       4
                                                 3.3699       5
                                                 2.8081       5
                                                 2.8288       6
                                                 2.7728       7
    2    Mg                  2.688        6
                                                 2.1151       6
                                                 2.1072       7
                                                 2.0375       8
                                                 2.1151       6
                                                 2.1072       7
                                                 2.0375       8
    3    Cr                  2.796        4
                                                 1.6145       4
                                                 1.6542       5
                                                 1.6672       6
                                                 1.67         7
    4    O                   3.432        7
                                                 2.6838       5
                                                 2.6948       6
                                                 2.6877       7
                                                 3.3443       5
                                                 3.3881       5
                                                 3.0541       8
                                                 3.0508       8
    5    O                   3.432        7
                                                 2.6838       4
                                                 2.6811       6
                                                 2.7094       7
                                                 2.7654       8
                                                 3.3443       4
                                                 3.3881       4
                                                 2.7349       8
    6    O                   3.432        7
                                                 2.6948       4
                                                 2.6811       5
                                                 2.7232       7
                                                 2.966        7
                                                 2.949        8
                                                 3.005        7
                                                 2.9246       8
    7    O                   3.432        7
                                                 2.6877       4
                                                 2.7094       5
                                                 2.966        6
                                                 2.7232       6
                                                 2.91         8
                                                 3.005        6
                                                 2.9521       8
    8    H(2)O               3.6          9
                                                 2.7654       5
                                                 2.949        6
                                                 2.91         7
                                                 3.0541       4
                                                 3.0508       4
                                                 2.7349       5
                                                 2.9246       6
                                                 2.9521       7
                                                 3.5203       8
    9    H                   1.8          1
                                                 0.8471       8
   10    H                   1.8          1
                                                 0.8571       8

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

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

    1   0   0   1  6.464  12.927   0.073  154.86    2       19.2      204.8
    2   0   1   0  7.968  15.935   0.09   101.15    2       13.9       70.6
    3   0  -1   1  7.975  15.95    0.09   100.96    2       27.4      271.9
    4   1   0   0  8.546  17.092   0.096   87.63    2       19.9      124.5
    5  -1   1   0  9.079  18.158   0.102   77.39    2       22.7      143.1
    6  -1   0   1  9.422  18.844   0.106   71.7     2       14.6       54.7
    7   1  -1   1 10.449  20.898   0.118   57.9     2       21.9       99.7
    8  -1   1   1 11.862  23.725   0.133   44.45    2       32.9      172.7
    9   1   0   1 11.927  23.854   0.134   43.95    2       30.9      150.4
   10   0   1   1 12.181  24.363   0.137   42.04    2       15.1       34.3
   11   0  -1   2 12.196  24.392   0.137   41.94    2       49.8      374.2
   12  -1  -1   1 12.891  25.782   0.145   37.32    2       23.4       73.6
   13   0   0   2 13.011  26.023   0.146   36.6     2       66.7      585.3
   14  -1   0   2 13.796  27.591   0.155   32.33    2       45.2      237.3
   15   1   1   0 13.898  27.796   0.156   31.83    2       85.4      834.8
   16   1  -2   1 14.358  28.717   0.161   29.7     2       22.3       52.9
   17   0  -2   1 14.683  29.367   0.165   28.31    2       14.0       19.9
   18  -1   2   0 14.903  29.806   0.167   27.42    2       80.5      638.7
   19   1  -1   2 14.912  29.825   0.167   27.39    2       46.1      208.9
   20  -1  -1   2 15.024  30.048   0.168   26.95    2       66.8      431.6
   21  -2   1   0 15.867  31.734   0.177   23.97    2       85.8      633.8
   22   0   2   0 16.095  32.189   0.18    23.24    2       51.4      220.6
   23   0  -2   2 16.11   32.219   0.18    23.19    2        1.0        0.1
   24   1  -2   2 16.66   33.321   0.186   21.57    2       52.9      217.1
   25  -2   1   1 16.863  33.727   0.188   21.01    2       19.3       28.0
   26  -1   1   2 16.946  33.892   0.189   20.78    2       26.2       51.3
   27  -2   0   1 16.96   33.92    0.189   20.75    2       21.2       33.5
   28   2   0   0 17.29   34.58    0.193   19.89    2       21.6       33.5
   29   1   0   2 17.325  34.651   0.193   19.81    2       13.2       12.4
   30   2  -1   1 17.527  35.055   0.195   19.31    2       21.7       32.7
   31   1   1   1 17.553  35.106   0.196   19.25    2        6.8        3.2
   32   0   1   2 17.969  35.939   0.2     18.29    2        3.1        0.6
   33   0  -1   3 17.987  35.973   0.2     18.25    2       40.5      107.5
   34  -1   2   1 18.063  36.126   0.201   18.08    2       28.7       53.5
   35  -2   2   0 18.397  36.793   0.205   17.37    2        5.2        1.7
   36   2  -2   1 18.711  37.422   0.208   16.73    2       15.5       14.4
   37  -2   0   2 19.112  38.224   0.213   15.97    2        4.3        1.1
   38  -1  -1   3 19.367  38.733   0.215   15.5     2       16.1       14.4
   39  -1  -2   1 19.477  38.953   0.216   15.31    2        6.3        2.2
   40  -1   0   3 19.577  39.153   0.217   15.14    2        5.7        1.8
   41   0   0   3 19.738  39.476   0.219   14.87    2       10.7        6.1
   42   0   2   1 19.805  39.61    0.22    14.75    2        2.1        0.2
   43   0  -2   3 19.83   39.661   0.22    14.71    2       41.5       90.9
   44  -1  -2   2 19.909  39.818   0.221   14.58    2       17.8       16.6
   45   2   0   1 19.994  39.989   0.222   14.44    2        8.6        3.8
   46  -2   1   2 20.17   40.341   0.224   14.17    2       71.5      260.4
   47  -2   2   1 20.412  40.824   0.226   13.8     2       20.3       20.5
   48  -2  -1   1 20.658  41.316   0.229   13.43    2       30.7       45.6
   49   1  -1   3 20.697  41.393   0.229   13.37    2       24.2       28.2
   50   1  -2   3 20.984  41.967   0.232   12.97    2       21.7       22.0
   51   1  -3   1 21.009  42.018   0.233   12.93    2        2.0        0.2
   52   2  -2   2 21.267  42.534   0.235   12.59    2       10.7        5.1
   53   1   2   0 21.281  42.562   0.236   12.57    2       14.6        9.7
   54   2  -1   2 21.303  42.606   0.236   12.54    2       67.0      202.3
   55  -2  -1   2 21.467  42.934   0.238   12.32    2       28.4       35.7
   56   1  -3   2 21.69   43.38    0.24    12.04    2       20.7       18.6
   57   2   1   0 22.001  44.001   0.243   11.66    2        1.9        0.1
   58  -1   3   0 22.449  44.898   0.248   11.14    2       19.0       14.5
   59  -1  -2   3 22.471  44.942   0.248   11.12    2       30.5       37.0
   60   0  -3   1 22.6    45.2     0.249   10.98    2       15.0        8.9
   61   0  -3   2 22.608  45.217   0.25    10.97    2       55.2      120.2
   62   1   1   2 22.752  45.504   0.251   10.81    2       64.3      160.4
   63  -1   2   2 22.905  45.809   0.253   10.65    2       60.0      137.9
   64  -1   1   3 23.026  46.052   0.254   10.52    2       18.3       12.6
   65   2  -3   1 23.07   46.139   0.254   10.48    2       16.4       10.1
   66  -2   0   3 23.157  46.315   0.255   10.39    2       11.8        5.2
   67   1   0   3 23.578  47.156   0.26     9.97    2       18.5       12.2
   68  -2   3   0 23.802  47.604   0.262    9.76    2       12.1        5.2
   69  -2  -1   3 24.254  48.508   0.267    9.35    2       28.8       27.8
   70  -3   1   0 24.256  48.512   0.267    9.35    2       14.0        6.6
   71  -2   2   2 24.275  48.55    0.267    9.33    2       30.0       30.1
   72   2  -3   2 24.317  48.633   0.267    9.3     2       28.9       27.8
   73   1  -3   3 24.35   48.7     0.268    9.27    2       33.6       37.5
   74  -3   1   1 24.366  48.733   0.268    9.26    2        3.0        0.3
   75   2   0   2 24.414  48.828   0.268    9.21    2       50.9       85.6
   76   0   1   3 24.44   48.88    0.269    9.19    2        0.4        0.0
   77   0  -1   4 24.458  48.917   0.269    9.18    2        5.8        1.1
   78   0   3   0 24.572  49.144   0.27     9.08    2       72.1      169.6
   79   0  -3   3 24.596  49.192   0.27     9.06    2       39.7       51.2
   80  -3   2   0 24.896  49.793   0.273    8.81    2       16.2        8.3
   81   1   2   1 24.927  49.854   0.274    8.79    2       11.0        3.8
   82  -1  -1   4 24.961  49.921   0.274    8.76    2       66.7      139.8
   83   0   2   2 24.962  49.923   0.274    8.76    2       50.0       78.7
   84   0  -2   4 24.993  49.986   0.274    8.74    2        7.3        1.7
   85  -2   1   3 25.028  50.057   0.275    8.71    2       12.3        4.7
   86   2   1   1 25.22   50.44    0.277    8.56    2       17.3        9.2
   87   2  -2   3 25.516  51.032   0.28     8.33    2        4.1        0.5
   88  -3   0   1 25.663  51.325   0.281    8.23    2       17.6        9.2
   89  -1   3   1 25.728  51.456   0.282    8.18    2        4.6        0.6
   90   3  -2   1 25.731  51.462   0.282    8.18    2       12.4        4.5
   91  -3   2   1 25.937  51.874   0.284    8.03    2       25.1       18.2
   92   3  -1   1 26.036  52.073   0.285    7.96    2       18.7       10.0
   93  -1   0   4 26.062  52.124   0.285    7.94    2        1.4        0.1
   94  -3   1   2 26.35   52.7     0.288    7.74    2       41.9       48.9
   95  -2   3   1 26.389  52.778   0.289    7.72    2       29.5       24.2
   96   2  -1   3 26.466  52.933   0.289    7.67    2       13.1        4.7
   97   3   0   0 26.475  52.95    0.289    7.66    2       70.1      135.3
   98  -2  -2   2 26.5    52.999   0.29     7.65    2       22.6       14.0
   99   1  -2   4 26.538  53.076   0.29     7.62    2       68.2      127.3
  100  -1  -2   4 26.677  53.354   0.291    7.53    2       22.5       13.7
  101  -3   0   2 26.687  53.374   0.292    7.52    2       54.6       80.5
  102  -2  -2   1 26.726  53.453   0.292    7.5     2       20.3       11.1
  103   0   0   4 26.762  53.524   0.292    7.48    2       37.2       37.1
  104  -1  -3   2 26.79   53.58    0.293    7.46    2       29.5       23.3
  105   1  -1   4 27.199  54.399   0.297    7.21    2        7.0        1.3
  106   2  -3   3 27.339  54.679   0.298    7.12    2       43.9       49.3
  107  -1  -3   1 27.345  54.69    0.298    7.12    2        6.7        1.2
  108  -1  -3   3 28.016  56.033   0.305    6.74    2       30.3       22.2
  109  -2  -2   3 28.06   56.119   0.305    6.71    2       10.6        2.7
  110   3  -3   1 28.16   56.32    0.306    6.66    2       14.4        4.9
  111   0   3   1 28.214  56.428   0.307    6.63    2       19.2        8.8
  112   0  -3   4 28.25   56.5     0.307    6.61    2       41.6       41.1
  113  -3   3   0 28.255  56.509   0.307    6.61    2       44.8       47.6
  114   3  -2   2 28.323  56.646   0.308    6.57    2       35.4       29.5
  115  -2   0   4 28.484  56.968   0.31     6.49    2       16.3        6.2
  116   1  -3   4 28.573  57.145   0.31     6.44    2       18.3        7.8
  117  -2  -1   4 28.584  57.167   0.311    6.44    2        9.7        2.2
  118   1  -4   2 28.618  57.237   0.311    6.42    2       34.3       27.1
  119  -3   2   2 28.708  57.416   0.312    6.37    2       30.1       20.8
  120   2   2   0 28.711  57.421   0.312    6.37    2       54.4       67.7
  121  -1   2   3 28.805  57.609   0.313    6.33    2        3.3        0.3
  122   1   1   3 28.897  57.795   0.314    6.28    2        0.3        0.0
  123   1  -4   1 28.929  57.858   0.314    6.27    2       27.8       17.4
  124   3   0   1 29.016  58.033   0.315    6.22    2        1.0        0.0
  125  -3   0   3 29.414  58.829   0.319    6.03    2        1.7        0.1
  126  -2   2   3 29.451  58.902   0.319    6.02    2       30.6       20.2
  127   3  -1   2 29.462  58.924   0.319    6.01    2       13.6        4.0
  128   2  -4   1 29.509  59.017   0.32     5.99    2       23.6       11.9
  129  -3  -1   1 29.556  59.112   0.32     5.97    2        4.3        0.4
  130   1   3   0 29.614  59.229   0.321    5.94    2       15.9        5.4
  131  -3  -1   2 29.657  59.314   0.321    5.92    2       21.3        9.6
  132   2  -4   2 29.734  59.468   0.322    5.89    2       27.1       15.5
  133  -1   1   4 29.76   59.521   0.322    5.88    2        7.6        1.2
  134   3  -3   2 29.781  59.562   0.322    5.87    2       29.4       18.2
  135   2   1   2 29.876  59.751   0.323    5.83    2       44.6       41.7
  136   1   2   2 29.926  59.852   0.324    5.81    2       19.6        8.0
  137  -3   1   3 29.943  59.886   0.324    5.8     2        3.6        0.3
  138   2   0   3 30.008  60.015   0.325    5.77    2       28.3       16.7
  139   1  -4   3 30.012  60.024   0.325    5.77    2       42.4       37.3
  140  -3   3   1 30.054  60.108   0.325    5.75    2       13.3        3.7
  141  -1   3   2 30.423  60.846   0.329    5.6     2        8.5        1.4
  142   1   0   4 30.439  60.878   0.329    5.59    2       13.5        3.6
  143   0  -4   2 30.461  60.923   0.329    5.58    2       32.8       21.5
  144  -2   3   2 30.498  60.997   0.329    5.57    2       52.0       54.0
  145  -1  -3   4 30.884  61.768   0.333    5.41    2        7.7        1.2
  146  -1   4   0 30.912  61.825   0.333    5.4     2       21.5        9.0
  147  -2   1   4 30.945  61.89    0.334    5.39    2       58.2       65.6
  148  -2   4   0 30.955  61.911   0.334    5.38    2       50.1       48.6
  149   2  -2   4 30.976  61.953   0.334    5.38    2       26.5       13.6
  150   0   2   3 31.095  62.19    0.335    5.33    2        1.9        0.1
  151   3   1   0 31.122  62.244   0.336    5.32    2        5.1        0.5
  152   0  -2   5 31.131  62.263   0.336    5.32    2       18.8        6.8
  153  -2  -2   4 31.228  62.456   0.337    5.28    2       71.4       96.7
  154   0  -4   1 31.277  62.553   0.337    5.26    2       19.5        7.2
  155   0  -4   3 31.295  62.589   0.337    5.26    2        5.9        0.7
  156  -1  -1   5 31.406  62.812   0.338    5.22    2       24.1       10.9
  157  -3  -1   3 31.415  62.831   0.338    5.21    2       15.9        4.7
  158   0   1   4 31.469  62.938   0.339    5.19    2        8.0        1.2
  159   0  -1   5 31.489  62.979   0.339    5.19    2        3.3        0.2
  160   2  -4   3 31.61   63.219   0.34     5.14    2        1.3        0.0
  161   2  -3   4 31.796  63.593   0.342    5.08    2       13.1        3.1
  162  -1  -2   5 32.1    64.201   0.345    4.97    2        3.3        0.2
  163   2   2   1 32.243  64.485   0.346    4.92    2        1.4        0.0
  164   3  -2   3 32.396  64.792   0.348    4.87    2       29.8       15.5
  165   2  -1   4 32.621  65.242   0.35     4.8     2       51.3       45.5
  166   3  -4   1 32.922  65.845   0.353    4.71    2        7.3        0.9
  167  -3   2   3 32.929  65.858   0.353    4.71    2        3.9        0.3
  168   3  -3   3 32.961  65.922   0.353    4.7     2       19.0        6.1
  169   1  -4   4 32.979  65.958   0.353    4.69    2       14.4        3.5
  170   1  -2   5 32.983  65.966   0.353    4.69    2       28.5       13.7
  171   3   0   2 33.033  66.067   0.354    4.67    2       40.0       26.9
  172  -4   2   0 33.149  66.298   0.355    4.64    2       76.7       98.1
  173  -1   0   5 33.156  66.312   0.355    4.64    2        1.2        0.0
  174   0   3   2 33.176  66.351   0.355    4.63    2       38.6       24.8
  175   0  -3   5 33.222  66.443   0.356    4.62    2       28.3       13.3
  176  -4   1   1 33.238  66.477   0.356    4.61    2       36.6       22.2
  177  -2  -3   2 33.378  66.756   0.357    4.57    2        7.6        1.0
  178   1   3   1 33.382  66.763   0.357    4.57    2       23.2        8.9
  179  -3   3   2 33.391  66.782   0.357    4.57    2       56.8       53.0
  180  -4   2   1 33.531  67.062   0.359    4.53    2       15.0        3.7
  181  -3   0   4 33.588  67.175   0.359    4.51    2       58.6       55.7
  182   3  -4   2 33.63   67.26    0.359    4.5     2       10.6        1.8
  183  -4   1   0 33.644  67.288   0.36     4.5     2       27.2       12.0
  184   0   4   0 33.673  67.346   0.36     4.49    2        6.7        0.7
  185   0  -4   4 33.708  67.415   0.36     4.48    2        2.1        0.1
  186  -3   4   0 33.796  67.593   0.361    4.45    2        3.4        0.2
  187  -2   4   1 33.95   67.9     0.363    4.41    2        8.9        1.2
  188  -2  -3   3 33.97   67.94    0.363    4.41    2        0.8        0.0
  189   1  -3   5 34.009  68.018   0.363    4.4     2        0.1        0.0
  190  -2  -1   5 34.106  68.211   0.364    4.37    2       30.6       14.7
  191   3   1   1 34.224  68.447   0.365    4.34    2       11.4        2.0
  192   3  -1   3 34.235  68.47    0.365    4.34    2       20.4        6.5
  193   0   0   5 34.254  68.508   0.365    4.33    2       17.1        4.6
  194   4  -2   1 34.341  68.682   0.366    4.31    2       17.2        4.6
  195   1  -1   5 34.345  68.691   0.366    4.31    2       10.6        1.7
  196  -2  -3   1 34.356  68.713   0.366    4.3     2        4.0        0.3
  197  -1   4   1 34.4    68.799   0.367    4.29    2       16.6        4.2
  198  -4   1   2 34.405  68.811   0.367    4.29    2       33.7       17.5
  199  -3  -1   4 34.689  69.377   0.369    4.22    2       21.4        6.9
  200  -2   0   5 34.792  69.585   0.37     4.2     2       12.7        2.4
  201  -3  -2   2 34.841  69.682   0.371    4.18    2       22.3        7.5
  202  -3   1   4 34.855  69.71    0.371    4.18    2        1.3        0.0
  203  -1  -4   2 34.986  69.972   0.372    4.15    2       43.7       28.4
  204   2  -4   4 34.987  69.974   0.372    4.15    2       54.7       44.6
  205  -4   3   0 35.031  70.061   0.373    4.14    2        2.8        0.1
  206  -1  -3   5 35.163  70.326   0.374    4.11    2       20.3        6.1
  207  -1  -4   3 35.282  70.564   0.375    4.08    2       11.3        1.9
  208  -4   0   1 35.316  70.631   0.375    4.07    2        5.4        0.4
  209   4  -3   1 35.431  70.861   0.376    4.04    2        3.7        0.2
  210  -4   2   2 35.463  70.926   0.377    4.04    2       37.4       20.3
  211  -3  -2   1 35.518  71.035   0.377    4.02    2        4.2        0.3
  212  -1   2   4 35.559  71.117   0.377    4.02    2       62.9       57.0
  213   4  -1   1 35.596  71.193   0.378    4.01    2       15.1        3.3
  214  -2   2   4 35.658  71.315   0.378    3.99    2        4.9        0.3
  215   2   1   3 35.671  71.341   0.379    3.99    2        2.7        0.1
  216  -4   0   2 35.691  71.382   0.379    3.99    2       13.1        2.5
  217  -3  -2   3 35.705  71.41    0.379    3.98    2       17.7        4.5
  218  -2  -2   5 35.768  71.537   0.379    3.97    2       45.1       29.0
  219   1   1   4 35.839  71.678   0.38     3.95    2       58.6       48.7
  220  -2   3   3 35.846  71.692   0.38     3.95    2       17.9        4.6
  221   3  -4   3 35.874  71.748   0.38     3.95    2       17.7        4.5
  222   1   2   3 35.999  71.998   0.382    3.92    2       28.6       11.5
  223  -2  -3   4 36.097  72.193   0.382    3.9     2        4.6        0.3
  224  -4   3   1 36.166  72.333   0.383    3.88    2        0.7        0.0
  225  -3   4   1 36.197  72.394   0.383    3.88    2        5.1        0.4
  226  -1  -4   1 36.226  72.452   0.384    3.87    2       39.2       21.3
  227  -1   3   3 36.256  72.511   0.384    3.87    2       10.9        1.7
  228   4   0   0 36.471  72.941   0.386    3.82    2       26.6        9.7
  229   2   0   4 36.555  73.11    0.387    3.81    2        7.3        0.7
  230   2   3   0 36.848  73.696   0.389    3.75    2       13.9        2.6
  231   1  -5   2 36.91   73.819   0.39     3.74    2       46.1       28.6
  232   2  -5   2 36.92   73.84    0.39     3.73    2       12.3        2.0
  233   4  -2   2 37.036  74.073   0.391    3.71    2       31.7       13.4
  234  -4   1   3 37.076  74.152   0.391    3.71    2       11.9        1.9
  235  -1  -4   4 37.098  74.195   0.392    3.7     2       52.0       35.9
  236   2   2   2 37.098  74.196   0.392    3.7     2       63.3       53.2
  237  -1   1   5 37.175  74.35    0.392    3.69    2        1.7        0.0
  238   1  -4   5 37.331  74.663   0.394    3.66    2       18.6        4.6
  239   4  -3   2 37.346  74.692   0.394    3.66    2       34.5       15.6
  240   1  -5   3 37.393  74.787   0.394    3.65    2       16.6        3.6
  241   2  -2   5 37.441  74.881   0.395    3.64    2        7.0        0.6
  242   2  -3   5 37.446  74.892   0.395    3.64    2       44.2       25.6
  243   2  -5   1 37.471  74.942   0.395    3.63    2        8.0        0.8
  244   0   4   1 37.503  75.006   0.395    3.63    2       19.1        4.8
  245   3  -3   4 37.505  75.01    0.395    3.63    2       51.6       34.8
  246   0  -4   5 37.553  75.105   0.396    3.62    2       10.9        1.5
  247  -4   0   3 37.578  75.157   0.396    3.62    2       12.9        2.1
  248   3   2   0 37.701  75.401   0.397    3.59    2       24.4        7.7
  249   3  -2   4 37.722  75.445   0.397    3.59    2       12.2        1.9
  250  -2   1   5 37.773  75.546   0.398    3.58    2       37.9       18.4
  251   2  -5   3 37.875  75.75    0.399    3.56    2        3.2        0.1
  252   1  -5   1 37.932  75.863   0.399    3.56    2       29.8       11.4
  253   1   0   5 37.978  75.956   0.399    3.55    2       17.3        3.8
  254  -3  -2   4 38.067  76.134   0.4      3.53    2        1.9        0.0
  255  -3   3   3 38.074  76.148   0.4      3.53    2        1.7        0.0
  256   0   2   4 38.099  76.198   0.401    3.53    2        5.9        0.4
  257   0  -2   6 38.14   76.28    0.401    3.52    2       39.9       20.2
  258   3   0   3 38.316  76.632   0.402    3.49    2        3.0        0.1
  259  -2   4   2 38.325  76.65    0.403    3.49    2       47.9       28.8
  260  -3   2   4 38.388  76.776   0.403    3.48    2       24.0        7.2
  261   1   3   2 38.447  76.893   0.404    3.47    2       36.0       16.2
  262  -1  -2   6 38.561  77.121   0.405    3.45    2       20.4        5.1
  263  -1  -1   6 38.666  77.331   0.406    3.44    2       38.0       17.8
  264   3   1   2 38.695  77.39    0.406    3.43    2       17.4        3.7
  265   4  -4   1 38.783  77.566   0.407    3.42    2       18.3        4.1
  266  -4   3   2 38.784  77.569   0.407    3.42    2        1.4        0.0
  267  -4   2   3 38.846  77.693   0.407    3.41    2        0.5        0.0
  268   1   4   0 38.944  77.887   0.408    3.4     2       45.0       24.7
  269   4  -1   2 38.998  77.996   0.408    3.39    2       22.0        5.9
  270  -3   0   5 39.011  78.022   0.409    3.39    2       29.1       10.3
  271   4   0   1 39.104  78.208   0.409    3.37    2        5.1        0.3
  272  -4   4   0 39.138  78.276   0.41     3.37    2       35.1       14.9
  273   0   1   5 39.185  78.371   0.41     3.36    2        6.1        0.4
  274   0  -1   6 39.208  78.416   0.41     3.36    2       21.2        5.4
  275  -1   4   2 39.219  78.439   0.41     3.36    2       26.1        8.2
  276  -4  -1   2 39.225  78.451   0.41     3.36    2       35.4       15.1
  277   0   3   3 39.273  78.546   0.411    3.35    2       18.7        4.2
  278  -3  -1   5 39.316  78.632   0.411    3.34    2        7.0        0.6
  279   0  -3   6 39.328  78.657   0.411    3.34    2       33.4       13.4
  280   1  -5   4 39.364  78.728   0.412    3.34    2       42.4       21.5
  281   0  -5   2 39.503  79.007   0.413    3.32    2       29.8       10.6
  282  -2   5   0 39.506  79.013   0.413    3.32    2       13.1        2.0
  283   0  -5   3 39.514  79.027   0.413    3.32    2       52.7       33.1
  284   3  -5   2 39.534  79.069   0.413    3.32    2       33.9       13.7
  285   3  -4   4 39.549  79.097   0.413    3.31    2       11.4        1.6
  286  -4  -1   1 39.602  79.203   0.414    3.31    2       10.4        1.3
  287   3  -5   1 39.611  79.221   0.414    3.3     2       24.9        7.4
  288  -2  -3   5 39.659  79.319   0.414    3.3     2        8.7        0.9
  289   2  -1   5 39.694  79.389   0.415    3.29    2       37.9       17.0
  290   2  -4   5 39.71   79.419   0.415    3.29    2       35.2       14.7
  291   4  -4   2 39.91   79.82    0.416    3.27    2       15.8        2.9
  292  -3   4   2 40.017  80.034   0.417    3.25    2       14.6        2.5
  293   3  -1   4 40.19   80.38    0.419    3.23    2        6.8        0.5
  294   2  -5   4 40.301  80.602   0.42     3.22    2        8.9        0.9
  295   1  -2   6 40.306  80.611   0.42     3.22    2       33.5       13.0
  296  -4  -1   3 40.327  80.654   0.42     3.21    2       33.4       12.9
  297  -1  -4   5 40.36   80.72    0.42     3.21    2       20.9        5.0
  298  -1   5   0 40.422  80.844   0.421    3.2     2       37.6       16.3
  299   1  -3   6 40.529  81.058   0.422    3.19    2       21.8        5.5
  300  -1  -3   6 40.698  81.396   0.423    3.17    2       18.6        3.9
  301  -2  -1   6 40.701  81.403   0.423    3.17    2       10.6        1.3
  302   4  -3   3 40.702  81.404   0.423    3.17    2       29.2        9.7
  303   2   3   1 40.752  81.503   0.424    3.17    2        0.0        0.0
  304  -4   0   4 40.907  81.813   0.425    3.15    2        1.2        0.0
  305   3  -5   3 40.931  81.863   0.425    3.15    2       37.0       15.5
  306  -3   1   5 40.944  81.887   0.425    3.14    2        1.9        0.0
  307  -4   4   1 40.965  81.929   0.426    3.14    2       14.2        2.3
  308   0  -5   1 40.966  81.932   0.426    3.14    2       22.4        5.7
  309   0  -5   4 40.996  81.992   0.426    3.14    2        7.3        0.6
  310  -1   0   6 41.008  82.017   0.426    3.14    2        7.5        0.6
  311   4  -2   3 41.132  82.264   0.427    3.12    2        1.3        0.0
  312  -4   1   4 41.148  82.297   0.427    3.12    2        1.9        0.0
  313  -3   5   0 41.158  82.315   0.427    3.12    2        6.5        0.5
  314   3   2   1 41.311  82.622   0.429    3.11    2        8.6        0.8
  315   4   1   0 41.446  82.891   0.43     3.09    2       49.9       27.6
  316  -2  -2   6 41.546  83.092   0.431    3.08    2       40.8       18.4
  317  -2  -4   3 41.646  83.291   0.431    3.07    2       26.5        7.7
  318  -2  -4   2 41.824  83.648   0.433    3.05    2       16.5        3.0
  319  -3  -2   5 41.847  83.694   0.433    3.05    2       18.6        3.8
  320  -3  -3   2 41.921  83.842   0.434    3.05    2       42.7       19.9
  321  -3  -3   3 42.012  84.025   0.434    3.04    2       15.1        2.5
  322  -2   0   6 42.077  84.155   0.435    3.03    2       29.4        9.4
  323   1  -1   6 42.304  84.608   0.437    3.01    2        7.6        0.6
  324  -2   3   4 42.34   84.68    0.437    3.01    2       23.8        6.1
  325   0   0   6 42.488  84.975   0.438    3.0     2       41.2       18.2
  326   4  -4   3 42.491  84.982   0.438    3.0     2       32.7       11.5
  327   2   1   4 42.55   85.1     0.439    2.99    2       23.8        6.1
  328   0   4   2 42.66   85.32    0.44     2.98    2        0.7        0.0
  329   0  -4   6 42.724  85.449   0.44     2.98    2        4.1        0.2
  330   1  -5   5 42.768  85.537   0.441    2.97    2       19.2        3.9
  331  -4   3   3 42.81   85.62    0.441    2.97    2        5.4        0.3
  332  -4  -1   4 42.881  85.762   0.442    2.96    2       38.8       16.0
  333  -5   2   1 42.886  85.771   0.442    2.96    2        0.4        0.0
  334  -2   2   5 42.892  85.783   0.442    2.96    2        1.0        0.0
  335  -2  -4   4 42.926  85.852   0.442    2.96    2       29.3        9.1
  336   1  -4   6 42.967  85.935   0.442    2.96    2       18.6        3.7
  337  -2   5   1 42.973  85.947   0.442    2.96    2       13.5        1.9
  338  -5   2   0 42.991  85.981   0.443    2.95    2       14.0        2.1
  339   1   4   1 43.065  86.131   0.443    2.95    2       10.4        1.1
  340   1   2   4 43.131  86.263   0.444    2.94    2        5.7        0.3
  341   4   0   2 43.145  86.291   0.444    2.94    2       27.0        7.7
  342   2   2   3 43.187  86.374   0.444    2.94    2        2.4        0.1
  343  -1   3   4 43.188  86.377   0.444    2.94    2       11.1        1.3
  344  -1   2   5 43.255  86.509   0.445    2.93    2        3.0        0.1
  345  -3  -3   1 43.287  86.575   0.445    2.93    2       28.0        8.3
  346   3  -3   5 43.319  86.638   0.445    2.93    2       26.0        7.1
  347  -2  -4   1 43.46   86.919   0.446    2.92    2       16.3        2.8
  348  -5   1   1 43.558  87.115   0.447    2.91    2       11.8        1.4
  349  -3  -3   4 43.56   87.12    0.447    2.91    2       46.7       22.8
  350  -4   2   4 43.601  87.201   0.448    2.91    2       35.9       13.5
  351   1   1   5 43.709  87.417   0.449    2.9     2       15.0        2.3
  352   4  -1   3 43.771  87.542   0.449    2.9     2        0.5        0.0
  353   3  -5   4 43.774  87.548   0.449    2.9     2       24.6        6.3
  354  -5   3   0 43.799  87.598   0.449    2.9     2       21.3        4.7
  355   0   5   0 43.873  87.746   0.45     2.89    2       13.8        2.0
  356   0  -5   5 43.923  87.846   0.45     2.89    2       12.4        1.6
  357  -2   4   3 44.0    88.0     0.451    2.88    2        0.4        0.0
  358  -3   3   4 44.028  88.057   0.451    2.88    2       57.4       34.1
  359   2   0   5 44.123  88.246   0.452    2.88    2        7.7        0.6
  360  -1  -5   3 44.142  88.284   0.452    2.88    2        5.3        0.3
  361   2  -5   5 44.148  88.296   0.452    2.88    2        7.2        0.5
  362  -3   5   1 44.148  88.296   0.452    2.88    2       29.3        8.9
  363  -5   1   2 44.181  88.363   0.452    2.87    2       40.9       17.3
  364  -4   4   2 44.229  88.458   0.453    2.87    2       39.7       16.3
  365  -5   2   2 44.235  88.47    0.453    2.87    2       20.7        4.4
  366   3  -2   5 44.254  88.509   0.453    2.87    2       13.6        1.9
  367   4  -5   1 44.258  88.515   0.453    2.87    2       19.4        3.9
  368   2  -3   6 44.259  88.518   0.453    2.87    2       18.7        3.6
  369  -1   5   1 44.332  88.664   0.454    2.86    2        5.1        0.3
  370  -5   1   0 44.387  88.774   0.454    2.86    2       53.5       29.4
  371  -5   3   1 44.419  88.837   0.454    2.86    2       15.0        2.3
  372   3   1   3 44.468  88.935   0.455    2.86    2       20.1        4.1
  373   5  -2   1 44.549  89.099   0.455    2.85    2        8.4        0.7
  374   3  -4   5 44.587  89.174   0.456    2.85    2        1.9        0.0
  375  -1  -5   2 44.588  89.176   0.456    2.85    2       11.0        1.2
  376  -2  -3   6 44.593  89.186   0.456    2.85    2       21.3        4.6
  377   5  -3   1 44.632  89.265   0.456    2.85    2       13.1        1.7
  378   4  -5   2 44.639  89.277   0.456    2.85    2       35.5       12.9
  379   4   1   1 44.728  89.456   0.457    2.84    2       17.7        3.2
  380   1   3   3 44.762  89.524   0.457    2.84    2        2.3        0.1
  381   3   0   4 44.826  89.652   0.458    2.84    2       42.1       18.0
  382  -4  -2   2 44.877  89.753   0.458    2.83    2       23.2        5.5
  383   2  -2   6 44.978  89.957   0.459    2.83    2       22.3        5.1


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

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

    1   0   0   1   6.464  12.927  6.84255      204.8     24.2     24.4     5.6
    2   0  -1   1   7.975  15.95   5.55202      342.5     40.4     40.8     5.6
    3   1   0   0   8.546  17.092  5.18349      124.5     14.7     14.8     5.6
    4  -1   1   0   9.079  18.158  4.88145      143.1     16.9     17.0     5.6
    5  -1   0   1   9.422  18.844  4.70524       54.7      6.4      6.5     5.6
    6   1  -1   1  10.449  20.898  4.24732       99.7     11.8     11.8     5.6
    7  -1   1   1  11.862  23.725  3.74723      172.7     20.4     20.5     5.6
    8   1   0   1  11.927  23.854  3.72719      150.4     17.7     17.8     5.6
    9   0  -1   2  12.196  24.392  3.64622      408.4     48.2     48.4     5.6
   10  -1  -1   1  12.891  25.782  3.45267       73.6      8.7      8.7     5.6
   11   0   0   2  13.011  26.023  3.42128      585.3     69.1     69.3     5.6
   12  -1   0   2  13.796  27.591  3.23026      237.3     28.0     28.0     5.6
   13   1   1   0  13.898  27.796  3.20693      834.8     98.5     98.6     5.6
   14   1  -2   1  14.358  28.717  3.10614       52.9      6.2      6.2     5.6
   15   0  -2   1  14.683  29.367  3.03884       19.9      2.3      2.3     5.6
   16  -1   2   0  14.903  29.806  2.99504      847.7    100.0    100.0     5.6
   17  -1  -1   2  15.024  30.048  2.97149      431.6     50.9     50.9     5.6
   18  -2   1   0  15.867  31.734  2.81733      633.8     74.8     74.7     5.6
   19   0   2   0  16.095  32.189  2.77853      220.7     26.0     26.0     5.6
   20   1  -2   2  16.66   33.321  2.68675      217.1     25.6     25.5     5.7
   21  -2   1   1  16.863  33.727  2.65532       28.0      3.3      3.3     5.7
   22  -1   1   2  16.946  33.892  2.64275       84.8     10.0     10.0     5.7
   23   2   0   0  17.29   34.58   2.59175       33.5      3.9      3.9     5.7
   24   1   0   2  17.325  34.651  2.58659       12.4      1.5      1.5     5.7
   25   2  -1   1  17.527  35.055  2.55771       35.9      4.2      4.2     5.7
   26   0  -1   3  17.987  35.973  2.49449      107.5     12.7     12.6     5.7
   27  -1   2   1  18.063  36.126  2.4843        53.5      6.3      6.3     5.7
   28   2  -2   1  18.711  37.422  2.40118       14.4      1.7      1.7     5.7
   29  -1  -1   3  19.367  38.733  2.32284       14.4      1.7      1.7     5.7
   30   0  -2   3  19.83   39.661  2.27063       90.9     10.7     10.6     5.7
   31  -1  -2   2  19.909  39.818  2.26203       16.6      2.0      1.9     5.7
   32  -2   1   2  20.17   40.341  2.23391      260.4     30.7     30.4     5.7
   33  -2   2   1  20.412  40.824  2.20859       20.5      2.4      2.4     5.7
   34  -2  -1   1  20.658  41.316  2.18339       45.6      5.4      5.3     5.7
   35   1  -1   3  20.697  41.393  2.17951       28.2      3.3      3.3     5.7
   36   1  -2   3  20.984  41.967  2.15101       22.2      2.6      2.6     5.7
   37   2  -1   2  21.303  42.606  2.12022      217.1     25.6     25.3     5.7
   38  -2  -1   2  21.467  42.934  2.10479       35.7      4.2      4.2     5.7
   39   1  -3   2  21.69   43.38   2.08419       18.6      2.2      2.2     5.7
   40  -1  -2   3  22.471  44.942  2.01529       51.5      6.1      6.0     5.7
   41   0  -3   2  22.608  45.217  2.0037       129.1     15.2     15.0     5.7
   42   1   1   2  22.752  45.504  1.99173      160.4     18.9     18.6     5.7
   43  -1   2   2  22.905  45.809  1.97916      137.9     16.3     16.0     5.7
   44  -1   1   3  23.026  46.052  1.96927       12.6      1.5      1.5     5.7
   45   2  -3   1  23.07   46.139  1.96576       10.1      1.2      1.2     5.7
   46   1   0   3  23.578  47.156  1.9257        12.2      1.4      1.4     5.7
   47  -2   2   2  24.275  48.55   1.87362       64.5      7.6      7.5     5.7
   48   2  -3   2  24.317  48.633  1.87062       27.8      3.3      3.2     5.7
   49   1  -3   3  24.35   48.7    1.86823       37.8      4.5      4.4     5.7
   50   2   0   2  24.414  48.828  1.8636        85.6     10.1      9.9     5.7
   51   0   3   0  24.572  49.144  1.85235      220.8     26.0     25.5     5.7
   52  -1  -1   4  24.961  49.921  1.82532      218.5     25.8     25.3     5.7
   53   2   1   1  25.22   50.44   1.80777        9.2      1.1      1.1     5.8
   54  -3   0   1  25.663  51.325  1.77864        9.2      1.1      1.1     5.8
   55  -3   2   1  25.937  51.874  1.76111       18.2      2.1      2.1     5.8
   56   3  -1   1  26.036  52.073  1.75486       10.1      1.2      1.2     5.8
   57  -3   1   2  26.35   52.7    1.73545       48.9      5.8      5.6     5.8
   58  -2   3   1  26.389  52.778  1.73305       24.2      2.9      2.8     5.8
   59   3   0   0  26.475  52.95   1.72783      154.0     18.2     17.7     5.8
   60   1  -2   4  26.538  53.076  1.72402      127.3     15.0     14.7     5.8
   61  -3   0   2  26.687  53.374  1.71511       94.2     11.1     10.8     5.8
   62  -2  -2   1  26.726  53.453  1.71276       11.1      1.3      1.3     5.8
   63   0   0   4  26.762  53.524  1.71064       60.4      7.1      7.0     5.8
   64   2  -3   3  27.339  54.679  1.67721       50.4      5.9      5.8     5.8
   65  -1  -3   3  28.016  56.033  1.63985       22.2      2.6      2.5     5.8
   66   0   3   1  28.214  56.428  1.62931        8.8      1.0      1.0     5.8
   67  -3   3   0  28.255  56.509  1.62715       88.7     10.5     10.2     5.8
   68   3  -2   2  28.323  56.646  1.62356       29.5      3.5      3.4     5.8
   69   1  -3   4  28.573  57.145  1.61054       10.0      1.2      1.1     5.8
   70   1  -4   2  28.618  57.237  1.60819       27.1      3.2      3.1     5.8
   71   2   2   0  28.711  57.421  1.60346       88.5     10.4     10.1     5.8
   72   1  -4   1  28.929  57.858  1.59239       17.4      2.1      2.0     5.8
   73  -2   2   3  29.451  58.902  1.56664       24.2      2.9      2.8     5.8
   74   2  -4   1  29.509  59.017  1.56385       11.9      1.4      1.4     5.8
   75  -3  -1   2  29.657  59.314  1.55674        9.6      1.1      1.1     5.8
   76   2  -4   2  29.734  59.468  1.55307       16.7      2.0      1.9     5.8
   77   3  -3   2  29.781  59.562  1.55084       18.2      2.1      2.1     5.8
   78   2   1   2  29.876  59.751  1.54638       41.7      4.9      4.8     5.8
   79   1  -4   3  30.012  60.024  1.54          54.0      6.4      6.2     5.8
   80   0  -4   2  30.461  60.923  1.51942       26.6      3.1      3.0     5.8
   81  -2   3   2  30.498  60.997  1.51775       54.0      6.4      6.1     5.8
   82  -1   4   0  30.912  61.825  1.4994        10.1      1.2      1.2     5.8
   83  -2   1   4  30.945  61.89   1.49796      114.2     13.5     13.0     5.8
   84   2  -2   4  30.976  61.953  1.4966        13.6      1.6      1.5     5.8
   85  -2  -2   4  31.228  62.456  1.48575       96.7     11.4     11.0     5.8
   86  -1  -1   5  31.406  62.812  1.47819       15.7      1.8      1.8     5.9
   87   3  -2   3  32.396  64.792  1.43772       15.5      1.8      1.8     5.9
   88   2  -1   4  32.621  65.242  1.42889       45.5      5.4      5.1     5.9
   89   1  -2   5  32.983  65.966  1.41495       23.3      2.8      2.6     5.9
   90   3   0   2  33.033  66.067  1.41302       26.9      3.2      3.0     5.9
   91  -4   2   0  33.149  66.298  1.40866      122.9     14.5     13.9     5.9
   92  -4   1   1  33.238  66.477  1.4053        35.6      4.2      4.0     5.9
   93  -3   3   2  33.391  66.782  1.39962       61.9      7.3      7.0     5.9
   94  -3   0   4  33.588  67.175  1.39238       55.7      6.6      6.3     5.9
   95  -4   1   0  33.644  67.288  1.39031       13.8      1.6      1.6     5.9
   96  -2  -1   5  34.106  68.211  1.37373       14.7      1.7      1.7     5.9
   97   3  -1   3  34.235  68.47   1.36917       13.1      1.5      1.5     5.9
   98  -4   1   2  34.405  68.811  1.36322       21.8      2.6      2.4     5.9
   99   2  -4   4  34.987  69.974  1.34337       73.0      8.6      8.2     5.9
  100  -4   2   2  35.463  70.926  1.32766       20.3      2.4      2.3     5.9
  101  -1   2   4  35.559  71.117  1.32456       57.0      6.7      6.4     5.9
  102  -2  -2   5  35.768  71.537  1.31782       29.0      3.4      3.2     5.9
  103   1   1   4  35.839  71.678  1.31557       53.3      6.3      6.0     5.9
  104   1   2   3  35.999  71.998  1.31052       11.5      1.4      1.3     5.9
  105  -1  -4   1  36.226  72.452  1.30341       23.0      2.7      2.6     5.9
  106   4   0   0  36.471  72.941  1.29587        9.7      1.1      1.1     6.0
  107   1  -5   2  36.91   73.819  1.28262       30.6      3.6      3.4     6.0
  108   4  -2   2  37.036  74.073  1.27885       13.4      1.6      1.5     6.0
  109   2   2   2  37.098  74.196  1.27702       91.0     10.7     10.1     6.0
  110   4  -3   2  37.346  74.692  1.26977       20.2      2.4      2.2     6.0
  111   2  -3   5  37.446  74.892  1.26689       26.4      3.1      2.9     6.0
  112   3  -3   4  37.505  75.01   1.26518       39.5      4.7      4.4     6.0
  113   3   2   0  37.701  75.401  1.25958        9.6      1.1      1.1     6.0
  114  -2   1   5  37.773  75.546  1.25753       18.4      2.2      2.0     6.0
  115   1  -5   1  37.932  75.863  1.25306       11.4      1.3      1.3     6.0
  116   0  -2   6  38.14   76.28   1.24724       20.2      2.4      2.2     6.0
  117  -2   4   2  38.325  76.65   1.24215       28.8      3.4      3.2     6.0
  118   1   3   2  38.447  76.893  1.23882       16.2      1.9      1.8     6.0
  119  -1  -1   6  38.666  77.331  1.23289       21.6      2.5      2.4     6.0
  120   1   4   0  38.944  77.887  1.22547       24.7      2.9      2.7     6.0
  121  -3   0   5  39.011  78.022  1.2237        16.2      1.9      1.8     6.0
  122  -4   4   0  39.138  78.276  1.22036       14.9      1.8      1.6     6.0
  123  -4  -1   2  39.225  78.451  1.21808       28.7      3.4      3.2     6.0
  124   0  -3   6  39.328  78.657  1.21541       13.4      1.6      1.5     6.0
  125   1  -5   4  39.364  78.728  1.21448       21.5      2.5      2.4     6.0
  126   0  -5   3  39.514  79.027  1.21064       60.9      7.2      6.7     6.0
  127   3  -5   1  39.611  79.221  1.20816        8.7      1.0      1.0     6.0
  128   2  -1   5  39.694  79.389  1.20603       31.7      3.7      3.5     6.0
  129   1  -2   6  40.306  80.611  1.19079       25.9      3.1      2.8     6.1
  130  -1   5   0  40.422  80.844  1.18795       16.3      1.9      1.8     6.1
  131   4  -3   3  40.702  81.404  1.18118       14.9      1.8      1.6     6.1
  132   3  -5   3  40.931  81.863  1.17572       15.5      1.8      1.7     6.1
  133   4   1   0  41.446  82.891  1.16373       27.6      3.3      3.0     6.1
  134  -2  -2   6  41.546  83.092  1.16142       18.4      2.2      2.0     6.1
  135  -3  -3   2  41.921  83.842  1.15293       19.9      2.4      2.2     6.1
  136  -2   0   6  42.077  84.155  1.14945        9.4      1.1      1.0     6.1
  137   0   0   6  42.488  84.975  1.14043       29.7      3.5      3.2     6.1
  138  -4  -1   4  42.881  85.762  1.13197       16.0      1.9      1.7     6.1
  139  -2  -4   4  42.926  85.852  1.13101        9.1      1.1      1.0     6.1
  140  -3  -3   4  43.56   87.12   1.11778       24.2      2.9      2.6     6.1
  141  -4   2   4  43.601  87.201  1.11695       13.5      1.6      1.5     6.2
  142   3  -5   4  43.774  87.548  1.11342       11.0      1.3      1.2     6.2
  143  -3   3   4  44.028  88.057  1.10829       34.1      4.0      3.7     6.2
  144  -3   5   1  44.148  88.296  1.10591        8.9      1.0      1.0     6.2
  145  -5   1   2  44.181  88.363  1.10525       17.3      2.0      1.9     6.2
  146  -4   4   2  44.229  88.458  1.1043        30.1      3.5      3.2     6.2
  147  -5   1   0  44.387  88.774  1.10119       29.4      3.5      3.2     6.2
  148   4  -5   2  44.639  89.277  1.09628       14.6      1.7      1.6     6.2
  149   3   0   4  44.826  89.652  1.09266       18.0      2.1      1.9     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)