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

                            ***

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

1, s-brackebuschite

Pb(2)(Mn,Fe)[VO(4)](2).[H(2)O]


Monoclinic  P 2(1)/m  Z = 2

P2(1)/m

30 .5 .1991

Ref.Str.:

         Wyckoff R.W.G. (1963)

         * Crystal Structures, 3, 187

Reserv:

         [H(2)O] = xH(2)O

                   Initial data from BDM-file 

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

             a =   7.681    alpha =   90.0 
             b =   6.155    beta  =   93.75
             c =  16.524    gamma =   90.0 

    Unit cell volume (cub. angs.) =   779.53

    Molar volume ( cub.cm/mol.) =   234.77

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

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

   1 0.1149  0.25    0.3745   0.0    Pb    = 1.00
   2 0.6233  0.25    0.2989   0.0    Pb    = 1.00
   3 0.6462  0.25    0.0865   0.0    V     = 1.00
   4 0.1233  0.25    0.0      0.0    V     = 1.00
   5 0.0     0.0     0.0      0.0    Mn    = 1.00
   6 0.114   0.023   0.104    0.0    O     = 1.00
   7 0.941   0.25    0.23     0.0    O     = 1.00
   8 0.299   0.25    0.247    0.0    O     = 1.00
   9 0.632   0.023   0.145    0.0    O     = 1.00
  10 0.455   0.25    0.017    0.0    O     = 1.00
  11 0.846   0.25    0.024    0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1149     0.25       0.3745
     2       2     0.6233     0.25       0.2989
     3       3     0.6462     0.25       0.0865
     4       4     0.1233     0.25       0.0   
     5       5     0.0        0.0        0.0   
     6       6     0.114      0.023      0.104 
     7       7     0.941      0.25       0.23  
     8       8     0.299      0.25       0.247 
     9       9     0.632      0.023      0.145 
    10      10     0.455      0.25       0.017 
    11      11     0.846      0.25       0.024 
    12       1     0.8851     0.75       0.6255
    13       2     0.3767     0.75       0.7011
    14       3     0.3538     0.75       0.9135
    15       4     0.8767     0.75       0.0   
    16       5     0.0        0.5        0.0   
    17       6     0.886      0.523      0.896 
    18       7     0.059      0.75       0.77  
    19       8     0.701      0.75       0.753 
    20       9     0.368      0.523      0.855 
    21      10     0.545      0.75       0.983 
    22      11     0.154      0.75       0.976 
    23       6     0.114      0.477      0.104 
    24       9     0.632      0.477      0.145 
    25       6     0.886      0.977      0.896 
    26       9     0.368      0.977      0.855 


X-ray density (g/cm cub.)   =      2.98

MU (1/cm) =     748.023    Mass attenuation coefficient (cm**2/g) =    251.188

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

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

    1    Pb                  3.144        2
                                                 2.6586       7
                                                 2.613        8
    2    Pb                  3.144        4
                                                 2.7594       7
                                                 2.5809       8
                                                 2.9062       9
                                                 2.9062       9
    3    V                   2.496        4
                                                 1.7065       9
                                                 1.8042      10
                                                 1.905       11
                                                 1.7065       9
    4    V                   2.496        3
                                                 2.2196       6
                                                 2.1919      11
                                                 2.2196       6
    5    Mn                  2.724        4
                                                 1.8823       6
                                                 1.9964      11
                                                 1.9964      11
                                                 1.8823       6
    6    O                   3.264        5
                                                 2.9008       7
                                                 3.0192       8
                                                 2.7534      11
                                                 2.7343      11
                                                 2.7944       6
    7    O                   3.264        5
                                                 2.9008       6
                                                 2.7458       8
                                                 3.0203       9
                                                 2.9008       6
                                                 3.0203       9
    8    O                   3.264        3
                                                 3.0192       6
                                                 2.7458       7
                                                 3.0192       6
    9    O                   3.264        5
                                                 3.0203       7
                                                 2.8103      10
                                                 3.0136      11
                                                 3.194       10
                                                 2.7944       9
   10    O                   3.264        7
                                                 2.8103       9
                                                 2.9979      11
                                                 3.194        9
                                                 3.2117      10
                                                 3.2117      10
                                                 2.8103       9
                                                 3.194        9
   11    O                   3.264        7
                                                 2.7534       6
                                                 3.0136       9
                                                 2.9979      10
                                                 2.7343       6
                                                 2.7534       6
                                                 3.0136       9
                                                 2.7343       6

  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  3.11    6.219   0.03   676.64    2       32.8      239.3
    2   0   0   2  6.229  12.457   0.061  166.94    2       31.2       53.5
    3   1   0   0  6.702  13.403   0.065  143.89    2       63.3      190.0
    4   1   0  -1  7.206  14.412   0.07   124.16    2       38.5       60.5
    5   1   0   1  7.578  15.155   0.074  112.06    2       49.8       91.5
    6   1   0  -2  8.862  17.724   0.086   81.33    2       77.4      160.3
    7   0   1   1  8.924  17.847   0.087   80.19    4      318.9     5369.2
    8   0   0   3  9.366  18.732   0.091   72.59    2      298.1     2123.4
    9   1   0   2  9.466  18.931   0.092   71.02    2      218.4     1115.2
   10   0   1   2 10.449  20.897   0.101   57.9     4      194.4     1440.4
   11   1   1   0 10.742  21.483   0.104   54.67    4        8.9        2.9
   12   1   1  -1 11.068  22.136   0.107   51.37    4       20.9       14.8
   13   1   0  -3 11.184  22.368   0.108   50.27    2      169.9      477.3
   14   1   1   1 11.317  22.634   0.11    49.04    4       71.5      165.2
   15   1   0   3 11.91   23.819   0.115   44.08    2       41.2       24.7
   16   1   1  -2 12.227  24.454   0.118   41.72    4      150.5      621.9
   17   0   0   4 12.532  25.064   0.121   39.61    2       41.0       22.0
   18   0   1   3 12.602  25.205   0.122   39.15    4       37.3       35.8
   19   1   1   2 12.678  25.355   0.123   38.66    4       16.6        7.0
   20   2   0   0 13.497  26.995   0.13    33.87    2       64.0       45.7
   21   2   0  -1 13.659  27.318   0.132   33.02    2      314.4     1074.4
   22   1   0  -4 13.861  27.722   0.134   32.01    2      174.9      322.2
   23   1   1  -3 14.026  28.052   0.135   31.21    4      108.2      240.4
   24   2   0   1 14.067  28.134   0.136   31.02    2      251.8      647.6
   25   2   0  -2 14.529  29.058   0.14    28.96    2      116.5      129.4
   26   1   1   3 14.62   29.239   0.141   28.57    4      124.2      290.2
   27   1   0   4 14.656  29.312   0.141   28.42    2       33.3       10.4
   28   0   1   4 15.139  30.277   0.146   26.52    4      174.0      528.4
   29   2   0   2 15.292  30.584   0.147   25.95    2      205.9      362.1
   30   0   0   5 15.738  31.476   0.152   24.39    2        0.6        0.0
   31   2   1   0 15.959  31.918   0.154   23.67    4      328.7     1683.6
   32   2   0  -3 16.002  32.004   0.154   23.53    2      148.5      170.8
   33   2   1  -1 16.098  32.195   0.155   23.23    4      112.9      195.0
   34   1   1  -4 16.272  32.544   0.157   22.7     4       26.7       10.6
   35   2   1   1 16.45   32.901   0.158   22.17    4       90.2      118.8
   36   1   0  -5 16.749  33.498   0.161   21.32    2      182.9      234.7
   37   2   1  -2 16.853  33.706   0.162   21.03    4       50.2       34.9
   38   0   2   0 16.897  33.793   0.162   20.92    2      316.6      690.1
   39   1   1   4 16.964  33.929   0.163   20.74    4      206.0      579.1
   40   2   0   3 17.046  34.092   0.164   20.52    2       23.7        3.8
   41   0   2   1 17.197  34.395   0.165   20.13    4      133.3      235.5
   42   2   1   2 17.525  35.051   0.168   19.32    4       98.9      124.3
   43   1   0   5 17.59   35.18    0.169   19.16    2      308.3      599.3
   44   0   1   5 17.921  35.843   0.172   18.39    4       52.3       33.1
   45   2   0  -4 17.946  35.891   0.172   18.34    2      189.3      216.2
   46   0   2   2 18.073  36.147   0.173   18.06    4      111.6      148.1
   47   2   1  -3 18.157  36.315   0.174   17.87    4      222.5      582.7
   48   1   2   0 18.252  36.504   0.175   17.67    4       30.1       10.6
   49   1   2  -1 18.455  36.91    0.177   17.25    4      116.9      155.0
   50   1   2   1 18.612  37.225   0.178   16.93    4       54.4       33.0
   51   1   1  -5 18.829  37.658   0.18    16.5     4      284.5      878.8
   52   0   0   6 18.995  37.99    0.182   16.18    2       76.2       30.9
   53   2   1   3 19.098  38.196   0.183   15.99    4      231.7      565.3
   54   2   0   4 19.203  38.406   0.184   15.8     2      126.0       82.6
   55   1   2  -2 19.205  38.41    0.184   15.79    4       23.2        5.6
   56   0   2   3 19.457  38.915   0.186   15.34    4      249.9      630.9
   57   1   2   2 19.509  39.017   0.187   15.26    4       96.2       93.0
   58   1   1   5 19.593  39.185   0.187   15.11    4      119.6      142.4
   59   1   0  -6 19.786  39.572   0.189   14.78    2      208.1      210.7
   60   2   1  -4 19.918  39.835   0.19    14.57    4      106.8      109.3
   61   2   0  -5 20.247  40.494   0.193   14.05    2       68.5       21.7
   62   1   2  -3 20.452  40.904   0.195   13.73    4       46.8       19.8
   63   3   0   0 20.494  40.987   0.196   13.67    2       64.3       18.6
   64   3   0  -1 20.534  41.067   0.196   13.61    2       14.6        1.0
   65   1   0   6 20.664  41.328   0.197   13.42    2      160.8      114.2
   66   0   1   6 20.882  41.765   0.199   13.11    4       21.3        3.9
   67   1   2   3 20.883  41.766   0.199   13.11    4      116.3      116.8
   68   3   0   1 20.963  41.927   0.2     13.0     2       88.1       33.2
   69   2   1   4 21.075  42.15    0.201   12.84    4      114.8      111.5
   70   3   0  -2 21.081  42.162   0.201   12.84    2      149.8       94.8
   71   0   2   4 21.267  42.533   0.203   12.59    4       39.0       12.6
   72   1   1  -6 21.616  43.232   0.206   12.13    4      197.8      312.6
   73   2   0   5 21.668  43.335   0.206   12.07    2      189.3      142.4
   74   2   2   0 21.886  43.772   0.208   11.8     4       21.2        3.5
   75   3   0   2 21.916  43.832   0.209   11.76    2       21.6        1.8
   76   2   2  -1 21.992  43.985   0.209   11.67    4      146.3      164.5
   77   2   1  -5 22.046  44.091   0.21    11.61    4       43.8       14.7
   78   3   0  -3 22.105  44.21    0.21    11.54    2      161.7       99.3
   79   1   2  -4 22.126  44.253   0.211   11.51    4      264.7      530.8
   80   2   2   1 22.264  44.529   0.212   11.35    4      249.5      465.2
   81   3   1   0 22.276  44.552   0.212   11.34    4       14.4        1.6
   82   3   1  -1 22.313  44.626   0.212   11.3     4       93.7       65.2
   83   0   0   7 22.317  44.634   0.212   11.29    2       81.4       24.6
   84   1   1   6 22.435  44.87    0.213   11.16    4      212.3      331.0
   85   2   2  -2 22.578  45.156   0.215   11.0     4      271.4      533.4
   86   1   2   4 22.665  45.33    0.215   10.91    4       11.6        1.0
   87   3   1   1 22.716  45.431   0.216   10.85    4       29.3        6.1
   88   2   0  -6 22.825  45.65    0.217   10.73    2        4.2        0.1
   89   3   1  -2 22.826  45.652   0.217   10.73    4       74.3       39.0
   90   1   0  -7 22.948  45.896   0.218   10.6     2      238.0      197.6
   91   2   2   2 23.108  46.217   0.219   10.44    4      194.9      260.9
   92   3   0   3 23.304  46.608   0.221   10.24    2      150.0       75.8
   93   2   1   5 23.378  46.756   0.222   10.17    4       74.0       36.6
   94   0   2   5 23.425  46.85    0.222   10.12    4       28.0        5.2
   95   3   0  -4 23.556  47.112   0.223    9.99    2       20.4        1.4
   96   3   1   2 23.612  47.224   0.224    9.94    4      163.5      174.9
   97   2   2  -3 23.615  47.229   0.224    9.94    4        3.0        0.1
   98   3   1  -3 23.79   47.58    0.225    9.77    4      134.2      115.9
   99   1   0   7 23.859  47.718   0.226    9.71    2       17.5        1.0
  100   0   1   7 23.991  47.981   0.227    9.59    4       41.4       10.8
  101   1   2  -5 24.161  48.321   0.229    9.44    4       94.8       55.8
  102   2   0   6 24.377  48.754   0.231    9.25    2       94.7       27.3
  103   2   2   3 24.381  48.762   0.231    9.24    4       40.3        9.9
  104   2   1  -6 24.472  48.943   0.232    9.16    4       18.8        2.1
  105   1   1  -7 24.588  49.177   0.233    9.07    4       12.4        0.9
  106   1   2   5 24.79   49.579   0.234    8.9     4      267.3      418.6
  107   3   1   3 24.927  49.854   0.236    8.79    4       65.6       24.9
  108   2   2  -4 25.06   50.12    0.237    8.68    4      104.1       61.9
  109   3   0   4 25.074  50.147   0.237    8.67    2      176.3       88.7
  110   3   1  -4 25.166  50.333   0.238    8.6     4      218.6      270.5
  111   3   0  -5 25.38   50.761   0.24     8.44    2      241.6      162.0
  112   1   1   7 25.455  50.91    0.24     8.38    4      220.6      268.3
  113   2   0  -7 25.628  51.256   0.242    8.25    2       25.1        1.7
  114   0   0   8 25.72   51.44    0.243    8.18    2      129.2       45.0
  115   0   2   6 25.872  51.744   0.244    8.07    4        0.6        0.0
  116   2   1   6 25.949  51.898   0.245    8.02    4       60.8       19.5
  117   2   2   4 26.036  52.071   0.245    7.96    4      187.1      183.3
  118   0   3   1 26.061  52.122   0.246    7.94    4      244.7      313.1
  119   1   0  -8 26.229  52.458   0.247    7.83    2      166.5       71.4
  120   1   2  -6 26.498  52.996   0.249    7.65    4      161.7      131.6
  121   3   1   4 26.616  53.232   0.25     7.57    4       28.4        4.0
  122   0   3   2 26.697  53.393   0.251    7.52    4      188.2      175.4
  123   1   3   0 26.828  53.656   0.252    7.43    4        6.8        0.2
  124   2   2  -5 26.867  53.735   0.253    7.41    4       84.1       34.5
  125   3   1  -5 26.91   53.82    0.253    7.38    4      132.5       85.3
  126   1   3  -1 26.978  53.957   0.254    7.34    4       16.3        1.3
  127   3   2   0 27.066  54.133   0.254    7.29    4       19.5        1.8
  128   1   3   1 27.096  54.191   0.255    7.27    4       60.7       17.6
  129   3   2  -1 27.099  54.198   0.255    7.27    4       56.3       15.2
  130   2   1  -7 27.148  54.295   0.255    7.24    4       22.3        2.4
  131   3   0   5 27.173  54.347   0.255    7.22    2       64.7        9.9
  132   1   0   8 27.175  54.349   0.255    7.22    2      293.8      205.1
  133   1   2   6 27.204  54.409   0.256    7.2     4      177.8      149.9
  134   0   1   8 27.236  54.473   0.256    7.18    4       58.1       16.0
  135   2   0   7 27.293  54.587   0.256    7.15    2       82.9       16.2
  136   3   2   1 27.448  54.897   0.258    7.06    4       11.6        0.6
  137   3   0  -6 27.527  55.055   0.258    7.01    2      199.8       92.1
  138   1   3  -2 27.541  55.082   0.258    7.0     4      128.3       75.9
  139   3   2  -2 27.545  55.089   0.259    7.0     4      201.6      187.4
  140   1   1  -8 27.726  55.452   0.26     6.9     4      246.4      275.7
  141   0   3   3 27.733  55.466   0.26     6.89    4       20.1        1.8
  142   1   3   2 27.772  55.544   0.26     6.87    4       11.6        0.6
  143   4   0  -1 27.801  55.603   0.261    6.86    2      103.8       24.3
  144   4   0   0 27.827  55.654   0.261    6.84    2      309.4      215.6
  145   2   2   5 28.027  56.055   0.263    6.73    4       67.2       20.0
  146   4   0  -2 28.183  56.365   0.264    6.65    2       44.1        4.3
  147   3   2   2 28.233  56.466   0.264    6.62    4       65.0       18.4
  148   4   0   1 28.259  56.518   0.265    6.61    2       62.0        8.4
  149   3   2  -3 28.39   56.781   0.266    6.54    4       82.6       29.4
  150   1   3  -3 28.5    57.001   0.267    6.48    4       93.1       37.0
  151   0   2   7 28.567  57.135   0.267    6.45    4       24.9        2.6
  152   2   0  -8 28.628  57.257   0.268    6.41    2       97.5       20.1
  153   3   1   5 28.636  57.273   0.268    6.41    4      260.4      286.0
  154   1   1   8 28.638  57.275   0.268    6.41    4      132.3       73.9
  155   2   1   7 28.752  57.504   0.269    6.35    4       22.1        2.0
  156   1   3   3 28.839  57.677   0.27     6.31    4      100.0       41.5
  157   4   0  -3 28.96   57.921   0.271    6.25    2      155.9       50.0
  158   3   1  -6 28.979  57.957   0.271    6.24    4      187.5      144.4
  159   2   2  -6 28.994  57.988   0.271    6.23    4        4.3        0.1
  160   4   0   2 29.085  58.17    0.272    6.19    2      140.2       40.0
  161   1   2  -7 29.098  58.196   0.272    6.18    4      233.5      222.0
  162   0   3   4 29.142  58.285   0.272    6.16    4      148.9       90.0
  163   0   0   9 29.224  58.448   0.273    6.12    2       40.7        3.3
  164   4   1  -1 29.244  58.487   0.273    6.11    4      183.8      135.9
  165   4   1   0 29.268  58.537   0.273    6.1     4       21.9        1.9
  166   3   2   3 29.4    58.8     0.274    6.04    4      166.2      109.8
  167   3   0   6 29.562  59.125   0.276    5.97    2      183.1       65.9
  168   4   1  -2 29.613  59.226   0.276    5.94    4      180.7      127.7
  169   3   2  -4 29.614  59.229   0.276    5.94    4       66.2       17.2
  170   1   0  -9 29.637  59.273   0.276    5.93    2      188.4       69.3
  171   2   3   0 29.638  59.275   0.276    5.93    4      269.8      284.2
  172   4   1   1 29.687  59.373   0.277    5.91    4      259.0      260.9
  173   2   3  -1 29.723  59.447   0.277    5.89    4      109.0       46.1
  174   1   3  -4 29.832  59.663   0.278    5.85    4       28.1        3.0
  175   1   2   7 29.873  59.746   0.278    5.83    4       48.9        9.2
  176   2   3   1 29.943  59.887   0.279    5.8     4       89.6       30.6
  177   3   0  -7 29.959  59.917   0.279    5.79    2        0.4        0.0
  178   2   1  -8 30.045  60.09    0.28     5.75    4       28.3        3.0
  179   4   0  -4 30.115  60.23    0.28     5.72    2      130.7       32.2
  180   2   3  -2 30.198  60.397   0.281    5.69    4       42.4        6.7
  181   1   3   4 30.269  60.539   0.282    5.66    4      186.7      129.9
  182   4   0   3 30.285  60.571   0.282    5.65    2      170.0       53.8
  183   2   2   6 30.318  60.637   0.282    5.64    4       25.1        2.3
  184   4   1  -3 30.367  60.735   0.283    5.62    4       71.4       18.9
  185   2   0   8 30.399  60.799   0.283    5.61    2        4.8        0.0
  186   4   1   2 30.489  60.977   0.284    5.57    4      155.9       89.0
  187   1   0   9 30.62   61.241   0.285    5.52    2      112.8       23.1
  188   0   1   9 30.623  61.247   0.285    5.51    4       24.1        2.1
  189   2   3   2 30.633  61.266   0.285    5.51    4       87.0       27.5
  190   0   3   5 30.894  61.789   0.287    5.41    4       40.7        5.9
  191   3   2   4 30.922  61.845   0.287    5.4     4      134.3       64.1
  192   3   1   6 30.953  61.905   0.288    5.39    4      142.8       72.3
  193   1   1  -9 31.025  62.05    0.288    5.36    4      173.3      106.0
  194   2   3  -3 31.052  62.103   0.288    5.35    4      211.2      157.0
  195   3   2  -5 31.19   62.38    0.289    5.3     4      322.9      363.5
  196   3   1  -7 31.338  62.677   0.291    5.24    4      175.0      105.6
  197   2   2  -7 31.407  62.813   0.291    5.22    4       54.2       10.1
  198   0   2   8 31.488  62.975   0.292    5.19    4       18.4        1.2
  199   4   1  -4 31.491  62.981   0.292    5.18    4      118.8       48.2
  200   1   3  -5 31.507  63.014   0.292    5.18    4      261.8      233.7
  201   4   0  -5 31.623  63.245   0.293    5.14    2       59.7        6.0
  202   4   1   3 31.657  63.314   0.293    5.13    4       11.9        0.5
  203   2   3   3 31.692  63.384   0.294    5.11    4      216.8      158.2
  204   2   1   8 31.768  63.536   0.294    5.09    4       39.9        5.3
  205   2   0  -9 31.816  63.632   0.295    5.07    2       31.5        1.7
  206   4   0   4 31.836  63.671   0.295    5.06    2      125.2       26.1
  207   1   2  -8 31.936  63.871   0.296    5.03    4      132.8       58.4
  208   1   1   9 31.983  63.967   0.296    5.01    4      154.7       78.9
  209   1   3   5 32.037  64.074   0.297    4.99    4      104.7       36.0
  210   3   0   7 32.213  64.425   0.298    4.93    2      233.1       88.2
  211   2   3  -4 32.266  64.533   0.298    4.92    4       71.6       16.6
  212   3   0  -8 32.648  65.296   0.302    4.79    2      186.3       54.8
  213   3   2   5 32.774  65.548   0.303    4.75    4      122.1       46.7
  214   1   2   8 32.775  65.55    0.303    4.75    4      173.3       94.0
  215   0   0  10 32.852  65.704   0.303    4.73    2      189.6       56.0
  216   2   2   7 32.881  65.762   0.303    4.72    4       12.0        0.4
  217   0   3   6 32.961  65.922   0.304    4.7     4       28.6        2.5
  218   4   1  -5 32.962  65.925   0.304    4.7     4       52.0        8.3
  219   3   2  -6 33.091  66.181   0.305    4.66    4      102.1       31.9
  220   2   3   4 33.102  66.203   0.305    4.65    4       81.3       20.2
  221   2   1  -9 33.152  66.303   0.306    4.64    4      119.7       43.8
  222   4   1   4 33.171  66.341   0.306    4.63    4      160.6       78.7
  223   1   0 -10 33.187  66.373   0.306    4.63    2       97.8       14.6
  224   4   2  -1 33.336  66.673   0.307    4.58    4       80.0       19.3
  225   4   2   0 33.36   66.719   0.307    4.58    4      291.5      256.2
  226   4   0  -6 33.459  66.917   0.308    4.55    2        9.7        0.1
  227   1   3  -6 33.501  67.003   0.309    4.54    4      164.5       80.8
  228   3   1   7 33.54   67.08    0.309    4.53    4       51.7        8.0
  229   4   2  -2 33.68   67.36    0.31     4.49    4       22.6        1.5
  230   2   0   9 33.693  67.387   0.31     4.48    2       88.4       11.5
  231   4   0   5 33.711  67.423   0.31     4.48    2      105.9       16.5
  232   4   2   1 33.749  67.497   0.311    4.47    4       42.0        5.2
  233   2   3  -5 33.823  67.645   0.311    4.45    4       24.8        1.8
  234   3   1  -8 33.966  67.933   0.312    4.41    4      168.8       82.7
  235   3   3   0 33.996  67.993   0.313    4.4     4       12.2        0.4
  236   3   3  -1 34.025  68.05    0.313    4.39    4       82.0       19.4
  237   2   2  -8 34.083  68.166   0.313    4.38    4       30.5        2.7
  238   1   3   6 34.117  68.234   0.314    4.37    4      197.9      112.6
  239   0   1  10 34.166  68.333   0.314    4.35    4      125.0       44.8
  240   1   0  10 34.215  68.429   0.314    4.34    2       33.1        1.6
  241   3   3   1 34.331  68.662   0.315    4.31    4       17.6        0.9
  242   4   2  -3 34.384  68.768   0.316    4.3     4      255.6      184.8
  243   3   3  -2 34.416  68.831   0.316    4.29    4       61.2       10.6
  244   1   1 -10 34.495  68.99    0.317    4.27    4       16.6        0.8
  245   4   2   2 34.498  68.995   0.317    4.27    4       74.6       15.7
  246   0   2   9 34.624  69.248   0.318    4.24    4      121.1       40.9
  247   4   1  -6 34.762  69.524   0.319    4.2     4        8.4        0.2
  248   2   3   5 34.842  69.683   0.319    4.18    4       53.4        7.9
  249   3   2   6 34.933  69.866   0.32     4.16    4      267.4      195.9
  250   2   1   9 34.992  69.985   0.321    4.15    4       89.4       21.8
  251   1   2  -9 35.001  70.002   0.321    4.14    4      116.9       37.3
  252   4   1   5 35.01   70.02    0.321    4.14    4       96.2       25.2
  253   3   3   2 35.024  70.047   0.321    4.14    4      136.5       50.7
  254   3   0   8 35.109  70.218   0.321    4.12    2       64.9        5.7
  255   3   3  -3 35.163  70.327   0.322    4.11    4      111.5       33.6
  256   2   0 -10 35.195  70.39    0.322    4.1     2      115.6       18.0
  257   3   2  -7 35.296  70.592   0.323    4.08    4       60.0        9.6
  258   0   3   7 35.321  70.642   0.323    4.07    4       28.3        2.1
  259   4   2  -4 35.439  70.879   0.324    4.04    4        3.3        0.0
  260   1   1  10 35.505  71.009   0.325    4.03    4      152.3       61.5
  261   0   4   0 35.541  71.083   0.325    4.02    2      377.8      188.8
  262   3   0  -9 35.582  71.165   0.325    4.01    2      165.6       36.2
  263   4   2   3 35.596  71.192   0.325    4.01    4      255.8      172.6
  264   4   0  -7 35.603  71.206   0.325    4.01    2       25.3        0.8
  265   5   0  -1 35.625  71.25    0.326    4.0     2      107.7       15.3
  266   5   0   0 35.697  71.395   0.326    3.98    2       19.5        0.5
  267   2   2   8 35.701  71.402   0.326    3.98    4       58.7        9.0
  268   2   3  -6 35.702  71.403   0.326    3.98    4       17.6        0.8
  269   0   4   1 35.719  71.439   0.326    3.98    4        8.3        0.2
  270   1   3  -7 35.795  71.589   0.327    3.96    4        9.8        0.3
  271   4   0   6 35.893  71.786   0.328    3.94    2       33.1        1.4
  272   1   2   9 35.905  71.809   0.328    3.94    4      225.6      132.0
  273   5   0  -2 35.908  71.816   0.328    3.94    2       17.3        0.4
  274   3   3   3 36.065  72.131   0.329    3.91    4       58.9        8.9
  275   5   0   1 36.125  72.249   0.33     3.89    2        2.6        0.0
  276   0   4   2 36.251  72.503   0.331    3.87    4       30.3        2.3
  277   3   3  -4 36.258  72.517   0.331    3.87    4      200.4      102.2
  278   1   4   0 36.362  72.725   0.331    3.84    4       39.5        4.0
  279   3   1   8 36.385  72.771   0.332    3.84    4      202.4      103.5
  280   2   1 -10 36.47   72.939   0.332    3.82    4      163.8       67.5
  281   1   4  -1 36.489  72.978   0.332    3.82    4       35.0        3.1
  282   1   3   7 36.492  72.984   0.332    3.82    4      184.0       85.1
  283   5   0  -3 36.544  73.087   0.333    3.81    2       45.2        2.6
  284   1   4   1 36.588  73.177   0.333    3.8     4       30.5        2.3
  285   0   0  11 36.635  73.27    0.334    3.79    2      129.2       20.8
  286   4   2  -5 36.833  73.667   0.335    3.75    4       40.4        4.0
  287   3   1  -9 36.852  73.703   0.335    3.75    4      128.4       40.7
  288   4   1  -7 36.872  73.744   0.335    3.74    4       28.5        2.0
  289   5   1  -1 36.894  73.787   0.336    3.74    4       31.2        2.4
  290   2   3   6 36.895  73.79    0.336    3.74    4       53.9        7.2
  291   5   0   2 36.901  73.803   0.336    3.74    2       94.2       10.9
  292   1   0 -11 36.905  73.809   0.336    3.74    2      105.8       13.8
  293   5   1   0 36.965  73.93    0.336    3.73    4       42.6        4.4
  294   1   4  -2 36.967  73.935   0.336    3.73    4       55.0        7.4
  295   2   2  -9 37.014  74.027   0.337    3.72    4      109.5       29.3
  296   4   2   4 37.032  74.063   0.337    3.71    4       15.7        0.6
  297   0   4   3 37.131  74.262   0.337    3.7     4      226.5      124.8
  298   4   1   6 37.158  74.316   0.338    3.69    4       14.7        0.5
  299   1   4   2 37.165  74.329   0.338    3.69    4      157.2       60.0
  300   5   1  -2 37.173  74.346   0.338    3.69    4      105.7       27.1
  301   2   0  10 37.186  74.373   0.338    3.69    2      188.9       43.3
  302   3   2   7 37.384  74.767   0.339    3.65    4      113.3       30.8
  303   5   1   1 37.387  74.773   0.339    3.65    4       33.0        2.6
  304   3   3   4 37.445  74.89    0.34     3.64    4       16.9        0.7
  305   5   0  -4 37.524  75.048   0.34     3.62    2      233.8       65.2
  306   3   3  -5 37.689  75.379   0.342    3.6     4      119.1       33.6
  307   3   2  -8 37.791  75.583   0.343    3.58    4      205.4       99.4
  308   1   4  -3 37.792  75.584   0.343    3.58    4      124.3       36.4
  309   5   1  -3 37.8    75.6     0.343    3.58    4      135.9       43.5
  310   2   3  -7 37.888  75.776   0.343    3.56    4       12.8        0.4
  311   0   1  11 37.891  75.782   0.343    3.56    4      192.2       86.6
  312   0   3   8 37.962  75.925   0.344    3.55    4       52.5        6.4
  313   0   2  10 37.983  75.966   0.344    3.55    4      120.8       34.1
  314   1   0  11 37.986  75.972   0.344    3.55    2      139.7       22.8
  315   5   0   3 38.02   76.041   0.344    3.54    2       52.2        3.2
  316   4   0  -8 38.042  76.083   0.344    3.54    2        9.1        0.1
  317   1   4   3 38.085  76.171   0.345    3.53    4       38.2        3.4
  318   5   1   2 38.154  76.308   0.345    3.52    4        5.9        0.1
  319   1   1 -11 38.157  76.314   0.345    3.52    4       95.0       20.9
  320   3   0   9 38.251  76.502   0.346    3.5     2      122.0       17.2
  321   1   2 -10 38.298  76.595   0.346    3.5     4      189.4       82.5
  322   0   4   4 38.35   76.701   0.347    3.49    4       33.0        2.5
  323   4   0   7 38.368  76.737   0.347    3.48    2        7.8        0.1
  324   1   3  -8 38.375  76.75    0.347    3.48    4      210.1      101.2
  325   2   1  10 38.436  76.871   0.347    3.47    4      153.9       54.2
  326   4   2  -6 38.554  77.108   0.348    3.46    4       46.9        5.0
  327   3   0 -10 38.763  77.526   0.35     3.42    2        5.5        0.0
  328   5   1  -4 38.77   77.54    0.35     3.42    4       29.6        2.0
  329   2   2   9 38.776  77.552   0.35     3.42    4       35.0        2.8
  330   2   0 -11 38.782  77.565   0.35     3.42    2      216.3       52.7
  331   2   4   0 38.785  77.57    0.35     3.42    4       43.3        4.2
  332   4   2   5 38.793  77.586   0.35     3.42    4       15.3        0.5
  333   5   0  -5 38.842  77.683   0.351    3.41    2       99.4       11.1
  334   2   4  -1 38.86   77.721   0.351    3.41    4      228.2      116.9
  335   1   4  -4 38.956  77.911   0.351    3.4     4      145.5       47.3
  336   2   4   1 39.054  78.109   0.352    3.38    4      193.9       83.7
  337   3   3   5 39.151  78.303   0.353    3.37    4      245.8      133.9
  338   1   3   8 39.152  78.305   0.353    3.37    4      129.1       37.0
  339   1   1  11 39.227  78.454   0.354    3.36    4       62.0        8.5
  340   2   3   7 39.251  78.502   0.354    3.35    4       13.4        0.4
  341   5   1   3 39.261  78.522   0.354    3.35    4       94.0       19.5
  342   1   2  10 39.269  78.539   0.354    3.35    4       66.7        9.8
  343   2   4  -2 39.28   78.56    0.354    3.35    4      113.6       28.5
  344   4   1  -8 39.282  78.564   0.354    3.35    4       84.8       15.9
  345   1   4   4 39.343  78.687   0.354    3.34    4       25.7        1.5
  346   3   3  -6 39.446  78.892   0.355    3.33    4      172.0       64.8
  347   5   0   4 39.472  78.945   0.355    3.32    2       41.9        1.9
  348   3   1   9 39.489  78.979   0.355    3.32    4      165.0       59.5
  349   4   1   7 39.606  79.211   0.356    3.31    4       19.7        0.8
  350   2   4   2 39.667  79.334   0.357    3.3     4      170.2       62.9
  351   4   3  -1 39.675  79.351   0.357    3.3     4      155.3       52.3
  352   4   3   0 39.697  79.394   0.357    3.29    4       19.8        0.9
  353   0   4   5 39.901  79.801   0.359    3.27    4        2.2        0.0
  354   4   3  -2 39.997  79.993   0.359    3.26    4      180.1       69.5
  355   3   1 -10 39.997  79.994   0.359    3.26    4       99.4       21.2
  356   2   1 -11 40.016  80.032   0.359    3.25    4       85.8       15.8
  357   2   4  -3 40.042  80.083   0.36     3.25    4       96.8       20.0
  358   4   3   1 40.061  80.122   0.36     3.25    4      223.8      107.1
  359   5   1  -5 40.075  80.15    0.36     3.25    4      213.1       97.0
  360   3   2   8 40.121  80.242   0.36     3.24    4      156.4       52.1
  361   2   2 -10 40.203  80.406   0.361    3.23    4      187.5       74.8
  362   2   3  -8 40.375  80.75    0.362    3.21    4       17.3        0.6
  363   1   4  -5 40.451  80.903   0.363    3.2     4      138.0       40.1
  364   5   0  -6 40.488  80.976   0.363    3.2     2       78.7        6.5
  365   3   2  -9 40.574  81.147   0.364    3.19    4      147.4       45.6
  366   4   2  -7 40.593  81.186   0.364    3.18    4       49.7        5.2
  367   5   2  -1 40.614  81.229   0.364    3.18    4       46.2        4.5
  368   0   0  12 40.614  81.229   0.364    3.18    2      129.4       17.5
  369   2   4   3 40.619  81.237   0.364    3.18    4        9.7        0.2
  370   4   3  -3 40.659  81.318   0.364    3.18    4       52.6        5.8
  371   5   2   0 40.684  81.367   0.364    3.17    4       64.2        8.6
  372   5   1   4 40.701  81.401   0.365    3.17    4      133.7       37.3
  373   4   3   2 40.766  81.532   0.365    3.16    4      156.7       51.1
  374   4   0  -9 40.771  81.542   0.365    3.16    2      139.5       20.2
  375   1   0 -12 40.828  81.656   0.365    3.16    2       67.1        4.7
  376   4   2   6 40.871  81.743   0.366    3.15    4       90.0       16.8
  377   0   3   9 40.885  81.77    0.366    3.15    4       29.0        1.7
  378   5   2  -2 40.886  81.772   0.366    3.15    4       74.9       11.6
  379   2   0  11 40.905  81.809   0.366    3.15    2      146.2       22.1
  380   1   4   5 40.931  81.863   0.366    3.15    4      249.6      129.0
  381   5   2   1 41.094  82.188   0.367    3.13    4       32.0        2.1
  382   4   0   8 41.135  82.269   0.368    3.12    2       34.8        1.2
  383   2   4  -4 41.14   82.28    0.368    3.12    4      145.6       43.6
  384   3   3   6 41.178  82.355   0.368    3.12    4      122.4       30.8
  385   1   3  -9 41.242  82.484   0.369    3.11    4      171.3       60.1
  386   5   0   5 41.251  82.501   0.369    3.11    2      181.6       33.8
  387   5   2  -3 41.497  82.994   0.37     3.09    4       94.6       18.2
  388   3   3  -7 41.522  83.044   0.371    3.08    4      154.4       48.4
  389   0   2  11 41.586  83.171   0.371    3.08    4       72.7       10.7
  390   3   0  10 41.651  83.303   0.372    3.07    2      164.6       27.4
  391   4   3  -4 41.658  83.316   0.372    3.07    4      107.5       23.4
  392   5   1  -6 41.709  83.419   0.372    3.07    4      178.9       64.6
  393   0   4   6 41.775  83.551   0.372    3.06    4       58.0        6.8
  394   4   3   3 41.807  83.615   0.373    3.06    4        0.1        0.0
  395   0   1  12 41.835  83.67    0.373    3.05    4       44.2        3.9
  396   5   2   2 41.843  83.685   0.373    3.05    4      124.9       31.3
  397   1   2 -11 41.846  83.691   0.373    3.05    4        5.1        0.1
  398   2   4   4 41.905  83.81    0.373    3.05    4      105.3       22.2
  399   2   3   8 41.907  83.815   0.373    3.05    4       31.1        1.9
  400   1   0  12 41.976  83.951   0.374    3.04    2       43.7        1.9
  401   4   1  -9 41.991  83.982   0.374    3.04    4       73.9       10.9
  402   1   1 -12 42.047  84.095   0.374    3.03    4       37.4        2.8
  403   1   3   9 42.102  84.203   0.375    3.03    4      140.6       39.4
  404   2   2  10 42.118  84.236   0.375    3.03    4      132.4       35.0
  405   2   1  11 42.124  84.248   0.375    3.03    4      126.6       31.9
  406   3   0 -11 42.206  84.413   0.376    3.02    2       42.9        1.8
  407   1   4  -6 42.274  84.547   0.376    3.01    4      172.4       59.0
  408   4   1   8 42.353  84.705   0.377    3.01    4       22.1        1.0
  409   5   2  -4 42.445  84.891   0.377    3.0     4      176.6       61.6
  410   5   0  -7 42.458  84.916   0.377    3.0     2      242.0       57.8
  411   5   1   5 42.468  84.936   0.377    3.0     4       73.5       10.7
  412   2   4  -5 42.571  85.143   0.378    2.99    4       46.8        4.3
  413   2   0 -12 42.611  85.223   0.378    2.98    2       50.0        2.5
  414   3   4   0 42.733  85.465   0.379    2.98    4       46.9        4.3
  415   3   4  -1 42.759  85.518   0.38     2.97    4       15.8        0.5
  416   1   4   6 42.845  85.69    0.38     2.97    4      126.3       31.1
  417   3   1  10 42.867  85.734   0.38     2.96    4       27.9        1.5
  418   1   2  11 42.894  85.788   0.38     2.96    4       76.5       11.4
  419   5   2   3 42.927  85.855   0.381    2.96    4        1.0        0.0
  420   4   2  -8 42.948  85.896   0.381    2.96    4       28.1        1.5
  421   4   3  -5 42.992  85.984   0.381    2.95    4       37.4        2.7
  422   3   4   1 43.045  86.089   0.382    2.95    4       67.0        8.7
  423   3   4  -2 43.124  86.247   0.382    2.94    4      114.8       25.5
  424   3   2   9 43.152  86.304   0.382    2.94    4      174.5       59.0
  425   2   3  -9 43.165  86.331   0.382    2.94    4      114.4       25.3
  426   4   3   4 43.183  86.366   0.383    2.94    4      145.0       40.7
  427   1   1  12 43.19   86.38    0.383    2.94    4       34.9        2.4
  428   4   2   7 43.266  86.533   0.383    2.93    4       32.5        2.0
  429   5   0   6 43.352  86.705   0.384    2.93    2      171.6       28.4
  430   3   1 -11 43.42   86.84    0.384    2.92    4       97.7       18.4
  431   2   4   5 43.522  87.045   0.385    2.92    4      135.0       35.0
  432   3   3   7 43.522  87.045   0.385    2.92    4       45.8        4.0
  433   3   2 -10 43.652  87.304   0.386    2.91    4       26.8        1.4
  434   2   2 -11 43.671  87.341   0.386    2.91    4      144.2       39.8
  435   5   1  -7 43.671  87.341   0.386    2.91    4       43.2        3.6
  436   3   4   2 43.694  87.387   0.386    2.9     4       10.2        0.2
  437   5   2  -5 43.729  87.457   0.386    2.9     4      150.1       43.0
  438   4   0 -10 43.8    87.599   0.387    2.9     2      143.7       19.7
  439   2   1 -12 43.824  87.648   0.387    2.9     4      161.2       49.5
  440   3   4  -3 43.825  87.65    0.387    2.9     4      129.6       32.0
  441   3   3  -8 43.917  87.834   0.388    2.89    4      159.2       48.2
  442   0   4   7 43.974  87.948   0.388    2.89    4       55.3        5.8
  443   0   3  10 44.103  88.205   0.389    2.88    4      120.5       27.5
  444   4   0   9 44.202  88.405   0.39     2.87    2       82.0        6.4
  445   6   0  -1 44.327  88.655   0.391    2.86    2      141.5       18.9
  446   2   4  -6 44.334  88.668   0.391    2.86    4       12.9        0.3
  447   5   2   4 44.347  88.693   0.391    2.86    4       35.0        2.3
  448   1   3 -10 44.409  88.817   0.391    2.86    4       23.6        1.0
  449   1   4  -7 44.422  88.844   0.391    2.86    4      183.6       63.4
  450   6   0   0 44.443  88.887   0.391    2.86    2        5.7        0.0
  451   6   0  -2 44.549  89.097   0.392    2.85    2      170.9       27.4
  452   5   1   6 44.563  89.126   0.392    2.85    4      185.0       64.2
  453   4   3  -6 44.658  89.317   0.393    2.85    4       19.8        0.7
  454   3   4   3 44.68   89.359   0.393    2.84    4      109.8       22.6
  455   5   0  -8 44.753  89.506   0.394    2.84    2      108.7       11.0
  456   0   0  13 44.847  89.693   0.394    2.84    2      232.2       50.3
  457   3   4  -4 44.863  89.727   0.394    2.84    4       11.3        0.2
  458   2   3   9 44.875  89.749   0.394    2.83    4       85.2       13.5
  459   4   3   5 44.891  89.783   0.395    2.83    4       82.5       12.7
  460   2   0  12 44.892  89.783   0.395    2.83    2       54.1        2.7
  461   6   0   1 44.897  89.794   0.395    2.83    2      285.4       76.0


  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   3.11    6.219 16.48862      239.3      4.5      4.5     5.5
    2   1   0   0   6.702  13.403  7.66455      190.0      3.5      3.5     5.6
    3   1   0  -1   7.206  14.412  7.13091       60.5      1.1      1.1     5.6
    4   1   0   1   7.578  15.155  6.78285       91.5      1.7      1.7     5.6
    5   1   0  -2   8.862  17.724  5.80599      160.3      3.0      3.0     5.6
    6   0   1   1   8.924  17.847  5.76635     5369.2    100.0    100.0     5.6
    7   0   0   3   9.366  18.732  5.49621     2123.4     39.5     39.5     5.6
    8   1   0   2   9.466  18.931  5.43885     1115.2     20.8     20.8     5.6
    9   0   1   2  10.449  20.897  4.9321      1440.4     26.8     26.8     5.6
   10   1   0  -3  11.184  22.368  4.61163      477.3      8.9      8.9     5.6
   11   1   1   1  11.317  22.634  4.55808      165.2      3.1      3.1     5.6
   12   1   1  -2  12.227  24.454  4.22345      621.9     11.6     11.5     5.6
   13   2   0  -1  13.659  27.318  3.78781     1074.4     20.0     19.9     5.6
   14   1   0  -4  13.861  27.722  3.73371      322.2      6.0      6.0     5.6
   15   1   1  -3  14.026  28.052  3.69063      240.4      4.5      4.4     5.6
   16   2   0   1  14.067  28.134  3.68009      647.6     12.1     12.0     5.6
   17   2   0  -2  14.529  29.058  3.56545      129.4      2.4      2.4     5.6
   18   1   1   3  14.62   29.239  3.54379      290.2      5.4      5.4     5.6
   19   0   1   4  15.139  30.277  3.425        528.4      9.8      9.8     5.6
   20   2   0   2  15.292  30.584  3.39142      362.1      6.7      6.7     5.6
   21   2   1   0  15.959  31.918  3.25323     1683.6     31.4     31.0     5.6
   22   2   0  -3  16.002  32.004  3.24471      170.8      3.2      3.1     5.6
   23   2   1  -1  16.098  32.195  3.22589      195.0      3.6      3.6     5.6
   24   2   1   1  16.45   32.901  3.15857      118.8      2.2      2.2     5.6
   25   1   0  -5  16.749  33.498  3.10383      234.7      4.4      4.3     5.7
   26   0   2   0  16.897  33.793  3.0775       690.1     12.9     12.7     5.7
   27   1   1   4  16.964  33.929  3.06556      579.1     10.8     10.7     5.7
   28   0   2   1  17.197  34.395  3.02526      235.5      4.4      4.3     5.7
   29   2   1   2  17.525  35.051  2.97036      124.3      2.3      2.3     5.7
   30   1   0   5  17.59   35.18   2.95977      599.3     11.2     11.0     5.7
   31   2   0  -4  17.946  35.891  2.903        249.3      4.6      4.6     5.7
   32   0   2   2  18.073  36.147  2.88317      148.1      2.8      2.7     5.7
   33   2   1  -3  18.157  36.315  2.87029      582.7     10.9     10.7     5.7
   34   1   2  -1  18.455  36.91   2.82559      155.0      2.9      2.8     5.7
   35   1   1  -5  18.829  37.658  2.77139      878.8     16.4     16.1     5.7
   36   2   1   3  19.098  38.196  2.73383      565.3     10.5     10.4     5.7
   37   2   0   4  19.203  38.406  2.71943       88.2      1.6      1.6     5.7
   38   0   2   3  19.457  38.915  2.68522      630.9     11.8     11.6     5.7
   39   1   2   2  19.509  39.017  2.67845       93.0      1.7      1.7     5.7
   40   1   1   5  19.593  39.185  2.66739      142.4      2.7      2.6     5.7
   41   1   0  -6  19.786  39.572  2.64234      210.7      3.9      3.9     5.7
   42   2   1  -4  19.918  39.835  2.62561      109.3      2.0      2.0     5.7
   43   1   0   6  20.664  41.328  2.53472      114.2      2.1      2.1     5.7
   44   1   2   3  20.883  41.766  2.5093       120.7      2.2      2.2     5.7
   45   2   1   4  21.075  42.15   2.48746      206.3      3.8      3.8     5.7
   46   1   1  -6  21.616  43.232  2.42805      312.6      5.8      5.7     5.7
   47   2   0   5  21.668  43.335  2.42254      142.4      2.7      2.6     5.7
   48   2   2  -1  21.992  43.985  2.38852      164.5      3.1      3.0     5.7
   49   1   2  -4  22.126  44.253  2.37478      630.2     11.7     11.5     5.7
   50   2   2   1  22.264  44.529  2.3608       466.8      8.7      8.5     5.7
   51   3   1  -1  22.313  44.626  2.35589       89.9      1.7      1.6     5.7
   52   1   1   6  22.435  44.87   2.34376      331.0      6.2      6.0     5.7
   53   2   2  -2  22.578  45.156  2.32969      533.4      9.9      9.7     5.7
   54   1   0  -7  22.948  45.896  2.29411      197.6      3.7      3.6     5.7
   55   2   2   2  23.108  46.217  2.27904      260.9      4.9      4.7     5.7
   56   3   0   3  23.304  46.608  2.26095       75.8      1.4      1.4     5.7
   57   3   1   2  23.612  47.224  2.23315      175.0      3.3      3.2     5.7
   58   3   1  -3  23.79   47.58   2.21737      115.9      2.2      2.1     5.7
   59   1   2  -5  24.161  48.321  2.18537       55.8      1.0      1.0     5.7
   60   1   2   5  24.79   49.579  2.13328      418.6      7.8      7.6     5.7
   61   3   0   4  25.074  50.147  2.11065      150.6      2.8      2.7     5.7
   62   3   1  -4  25.166  50.333  2.10338      270.5      5.0      4.9     5.8
   63   3   0  -5  25.38   50.761  2.08681      162.0      3.0      2.9     5.8
   64   1   1   7  25.455  50.91   2.0811       268.3      5.0      4.8     5.8
   65   0   3   1  26.061  52.122  2.03597      496.4      9.2      9.0     5.8
   66   1   0  -8  26.229  52.458  2.02384       71.4      1.3      1.3     5.8
   67   1   2  -6  26.498  52.996  2.00477      131.6      2.5      2.4     5.8
   68   0   3   2  26.697  53.393  1.99094      175.4      3.3      3.2     5.8
   69   3   1  -5  26.91   53.82   1.97631       85.3      1.6      1.5     5.8
   70   1   0   8  27.175  54.349  1.95851      217.4      4.0      3.9     5.8
   71   1   2   6  27.204  54.409  1.95653      149.9      2.8      2.7     5.8
   72   3   2  -2  27.545  55.089  1.93423      355.4      6.6      6.4     5.8
   73   1   1  -8  27.726  55.452  1.92257      277.5      5.2      5.0     5.8
   74   4   0   0  27.827  55.654  1.91614      239.9      4.5      4.3     5.8
   75   1   1   8  28.638  57.275  1.8663       380.0      7.1      6.8     5.8
   76   3   1  -6  28.979  57.957  1.84622      194.4      3.6      3.5     5.8
   77   1   2  -7  29.098  58.196  1.8393       262.0      4.9      4.7     5.8
   78   0   3   4  29.142  58.285  1.83674       90.0      1.7      1.6     5.8
   79   4   1  -1  29.244  58.487  1.83095      141.2      2.6      2.5     5.8
   80   3   2   3  29.4    58.8    1.82208      109.8      2.0      2.0     5.8
   81   3   0   6  29.562  59.125  1.81295       65.9      1.2      1.2     5.8
   82   2   3   0  29.638  59.275  1.80877      498.5      9.3      8.9     5.8
   83   4   1   1  29.687  59.373  1.80605      260.9      4.9      4.7     5.8
   84   1   3   4  30.269  60.539  1.77449      183.7      3.4      3.3     5.8
   85   4   1   2  30.489  60.977  1.76295       89.0      1.7      1.6     5.8
   86   3   2   4  30.922  61.845  1.74062       70.0      1.3      1.2     5.8
   87   3   1   6  30.953  61.905  1.73908       72.3      1.3      1.3     5.8
   88   2   3  -3  31.052  62.103  1.73409      262.9      4.9      4.7     5.8
   89   3   2  -5  31.19   62.38   1.72718      363.5      6.8      6.5     5.8
   90   3   1  -7  31.338  62.677  1.71981      105.6      2.0      1.9     5.8
   91   1   3  -5  31.507  63.014  1.71154      283.0      5.3      5.0     5.9
   92   2   3   3  31.692  63.384  1.70258      158.2      2.9      2.8     5.9
   93   1   2  -8  31.936  63.871  1.69096       58.4      1.1      1.0     5.9
   94   1   1   9  31.983  63.967  1.6887        78.9      1.5      1.4     5.9
   95   3   0   7  32.213  64.425  1.67796       88.2      1.6      1.6     5.9
   96   3   0  -8  32.648  65.296  1.65802       54.8      1.0      1.0     5.9
   97   1   2   8  32.775  65.55   1.65229      140.7      2.6      2.5     5.9
   98   0   0  10  32.852  65.704  1.64886       56.4      1.1      1.0     5.9
   99   4   1   4  33.171  66.341  1.6348       137.0      2.6      2.4     5.9
  100   4   2   0  33.36   66.719  1.62661      275.5      5.1      4.9     5.9
  101   1   3  -6  33.501  67.003  1.62052       80.8      1.5      1.4     5.9
  102   3   1  -8  33.966  67.933  1.60095       82.7      1.5      1.5     5.9
  103   1   3   6  34.117  68.234  1.59472      112.6      2.1      2.0     5.9
  104   4   2  -3  34.384  68.768  1.58385      184.8      3.4      3.3     5.9
  105   3   2   6  34.933  69.866  1.56205      195.9      3.6      3.4     5.9
  106   4   1   5  35.01   70.02   1.55905      135.0      2.5      2.4     5.9
  107   1   1  10  35.505  71.009  1.54013       61.5      1.1      1.1     5.9
  108   0   4   0  35.541  71.083  1.53875      188.8      3.5      3.3     5.9
  109   4   2   3  35.596  71.192  1.5367       224.9      4.2      3.9     5.9
  110   1   2   9  35.905  71.809  1.52524      133.8      2.5      2.3     5.9
  111   3   3  -4  36.258  72.517  1.51238      104.5      1.9      1.8     5.9
  112   3   1   8  36.385  72.771  1.50783      107.5      2.0      1.9     6.0
  113   1   3   7  36.492  72.984  1.50403      155.7      2.9      2.7     6.0
  114   0   4   3  37.131  74.262  1.48177      125.3      2.3      2.2     6.0
  115   1   4   2  37.165  74.329  1.48063      130.4      2.4      2.3     6.0
  116   5   0  -4  37.524  75.048  1.4685        65.2      1.2      1.1     6.0
  117   3   2  -8  37.791  75.583  1.45966      179.3      3.3      3.1     6.0
  118   0   1  11  37.891  75.782  1.4564        86.6      1.6      1.5     6.0
  119   1   0  11  37.986  75.972  1.4533        63.3      1.2      1.1     6.0
  120   1   2 -10  38.298  76.595  1.44326       82.5      1.5      1.4     6.0
  121   1   3  -8  38.375  76.75   1.44081      103.8      1.9      1.8     6.0
  122   2   1  10  38.436  76.871  1.43888       54.2      1.0      0.9     6.0
  123   2   4   0  38.785  77.57   1.42794       62.2      1.2      1.1     6.0
  124   2   4  -1  38.86   77.721  1.42561      128.0      2.4      2.2     6.0
  125   2   4   1  39.054  78.109  1.41965       83.7      1.6      1.4     6.0
  126   3   3   5  39.151  78.303  1.41669      170.9      3.2      3.0     6.0
  127   2   4  -2  39.28   78.56   1.4128        73.6      1.4      1.3     6.0
  128   3   3  -6  39.446  78.892  1.40782       66.7      1.2      1.2     6.0
  129   3   1   9  39.489  78.979  1.40653       59.5      1.1      1.0     6.0
  130   2   4   2  39.667  79.334  1.40126      116.0      2.2      2.0     6.0
  131   4   3  -2  39.997  79.993  1.39163      106.4      2.0      1.8     6.0
  132   4   3   1  40.061  80.122  1.38976      224.2      4.2      3.9     6.0
  133   2   2 -10  40.203  80.406  1.3857        74.8      1.4      1.3     6.0
  134   4   3   2  40.766  81.532  1.36983       71.4      1.3      1.2     6.1
  135   1   4   5  40.931  81.863  1.36527      151.1      2.8      2.6     6.1
  136   1   3  -9  41.242  82.484  1.35681       93.9      1.7      1.6     6.1
  137   3   3  -7  41.522  83.044  1.3493        66.6      1.2      1.1     6.1
  138   5   1  -6  41.709  83.419  1.34434       64.6      1.2      1.1     6.1
  139   1   3   9  42.102  84.203  1.33412      106.3      2.0      1.8     6.1
  140   1   4  -6  42.274  84.547  1.32971       59.0      1.1      1.0     6.1
  141   5   2  -4  42.445  84.891  1.32535      130.0      2.4      2.2     6.1
  142   3   2   9  43.152  86.304  1.30781       84.6      1.6      1.4     6.1
  143   4   3   4  43.183  86.366  1.30706       68.4      1.3      1.2     6.1
  144   3   4  -3  43.825  87.65   1.29171      101.2      1.9      1.7     6.2
  145   1   4  -7  44.422  88.844  1.27791       64.5      1.2      1.1     6.2
  146   5   1   6  44.563  89.126  1.27471       91.6      1.7      1.5     6.2
  147   0   0  13  44.847  89.693  1.26836       64.1      1.2      1.1     6.2
  148   6   0   1  44.897  89.794  1.26724       91.4      1.7      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)