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       ***
                  ***********************
RIOMARINAITE

1, syn

Bi(OH)SO(4).H(2)O


Monoclinic  P 2(1)/n  Z = 4

P2(1)/n

28 .5 .1907

Ref.Str.:

         Graunar M., Lazarini F. (1982)

         * Acta Cryst., B38, 2879-2881

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   6.021    alpha =   90.0 
             b =  13.363    beta  =  112.94
             c =   6.495    gamma =   90.0 

    Unit cell volume (cub. angs.) =   481.25

    Molar volume ( cub.cm/mol.) =    72.47

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

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

   1 0.346   0.3791  0.4124   0.0    Bi    = 1.00
   2 0.8229  0.166   0.4085   0.0    S     = 1.00
   3 0.6932  0.2428  0.4673   0.0    O     = 1.00
   4 0.6515  0.1083  0.2027   0.0    O     = 1.00
   5 0.0232  0.2044  0.3608   0.0    O     = 1.00
   6 0.9165  0.0913  0.5962   0.0    O     = 1.00
   7 0.2942  0.542   0.4041   0.0    OH    = 1.00
   8 0.9379  0.4146  0.147    0.0    H(2)O = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.346      0.3791     0.4124
     2       2     0.8229     0.166      0.4085
     3       3     0.6932     0.2428     0.4673
     4       4     0.6515     0.1083     0.2027
     5       5     0.0232     0.2044     0.3608
     6       6     0.9165     0.0913     0.5962
     7       7     0.2942     0.542      0.4041
     8       8     0.9379     0.4146     0.147 
     9       1     0.654      0.6209     0.5876
    10       2     0.1771     0.834      0.5915
    11       3     0.3068     0.7572     0.5327
    12       4     0.3485     0.8917     0.7973
    13       5     0.9768     0.7956     0.6392
    14       6     0.0835     0.9087     0.4038
    15       7     0.7058     0.458      0.5959
    16       8     0.0621     0.5854     0.853 
    17       1     0.846      0.1209     0.9124
    18       2     0.3229     0.334      0.9085
    19       3     0.1932     0.2572     0.9673
    20       4     0.1515     0.3917     0.7027
    21       5     0.5232     0.2956     0.8608
    22       6     0.4165     0.4087     0.0962
    23       7     0.7942     0.958      0.9041
    24       8     0.4379     0.0854     0.647 
    25       1     0.154      0.8791     0.0876
    26       2     0.6771     0.666      0.0915
    27       3     0.8068     0.7428     0.0327
    28       4     0.8485     0.6083     0.2973
    29       5     0.4768     0.7044     0.1392
    30       6     0.5835     0.5913     0.9038
    31       7     0.2058     0.042      0.0959
    32       8     0.5621     0.9146     0.353 


X-ray density (g/cm cub.)   =      4.69

MU (1/cm) =     747.136    Mass attenuation coefficient (cm**2/g) =    159.239

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

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

    1    Bi                  3.24         9
                                                 2.6895       3
                                                 2.9719       5
                                                 2.1967       7
                                                 2.4356       8
                                                 2.2831       7
                                                 3.1279       3
                                                 2.5838       4
                                                 2.9057       5
                                                 2.2878       6
    2    S                   2.148        4
                                                 1.4288       3
                                                 1.5398       4
                                                 1.4509       5
                                                 1.5049       6
    3    O                   3.432        8
                                                 2.4312       4
                                                 2.4002       5
                                                 2.3937       6
                                                 2.9873       7
                                                 3.2592       4
                                                 3.1807       5
                                                 3.2202       6
                                                 3.0899       8
    4    O                   3.432        9
                                                 2.4312       3
                                                 2.4333       5
                                                 2.4394       6
                                                 3.2592       3
                                                 3.2335       5
                                                 3.1357       7
                                                 3.3401       8
                                                 2.6489       7
                                                 2.89         8
    5    O                   3.432        8
                                                 2.4002       3
                                                 2.4333       4
                                                 2.4084       6
                                                 3.0864       8
                                                 3.1807       3
                                                 3.2335       4
                                                 2.9327       8
                                                 3.2176       7
    6    O                   3.432       10
                                                 2.3937       3
                                                 2.4394       4
                                                 2.4084       5
                                                 3.0832       6
                                                 3.2202       3
                                                 2.977        7
                                                 3.0271       8
                                                 3.0266       8
                                                 3.0975       7
                                                 3.1617       8
    7    OH                  3.48         9
                                                 2.738        8
                                                 2.9873       3
                                                 2.5587       7
                                                 3.3469       8
                                                 3.1357       4
                                                 2.977        6
                                                 2.6489       4
                                                 3.2176       5
                                                 3.0975       6
    8    H(2)O               3.6         11
                                                 3.0864       5
                                                 2.738        7
                                                 3.3469       7
                                                 3.2447       8
                                                 3.0899       3
                                                 3.3401       4
                                                 2.9327       5
                                                 3.0266       6
                                                 3.0271       6
                                                 2.89         4
                                                 3.1617       6

  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   2   0  6.62   13.24    0.075  147.52    2       10.7       14.5
    2   0   1   1  8.111  16.222   0.092   97.52    4      146.8     3627.6
    3   1   0  -1  8.517  17.035   0.096   88.23    2      199.3     3027.0
    4   1   1   0  8.65   17.301   0.098   85.48    4      134.9     2688.4
    5   1   1  -1  9.145  18.29    0.103   76.25    4       41.1      222.8
    6   0   2   1  9.953  19.906   0.112   64.03    4      112.9     1410.8
    7   1   2   0 10.4    20.801   0.117   58.46    4      294.2     8740.9
    8   1   2  -1 10.818  21.636   0.122   53.87    4       56.6      297.9
    9   0   3   1 12.451  24.903   0.14    40.15    4       79.5      438.0
   10   1   3   0 12.816  25.632   0.144   37.79    4      135.7     1202.4
   11   1   0   1 12.898  25.797   0.145   37.28    2       19.3       12.0
   12   1   3  -1 13.161  26.322   0.148   35.73    4       79.4      388.6
   13   1   1   1 13.329  26.658   0.15    34.78    4      109.4      719.4
   14   0   4   0 13.331  26.661   0.15    34.77    2      309.9     2882.9
   15   1   1  -2 14.307  28.614   0.16    29.92    4      255.7     3379.8
   16   1   2   1 14.551  29.101   0.163   28.86    4        3.4        0.6
   17   0   0   2 14.925  29.851   0.167   27.34    2      152.5      548.8
   18   2   1  -1 15.253  30.505   0.171   26.09    4       47.1       99.9
   19   0   1   2 15.304  30.607   0.171   25.91    4      199.1     1773.3
   20   0   4   1 15.313  30.627   0.171   25.87    4       60.8      165.3
   21   1   2  -2 15.458  30.915   0.173   25.36    4       67.8      201.5
   22   1   4   0 15.616  31.232   0.175   24.81    4       26.4       29.8
   23   1   4  -1 15.905  31.81    0.178   23.84    4      191.4     1508.3
   24   2   0   0 16.131  32.262   0.18    23.13    2      119.2      283.9
   25   2   2  -1 16.343  32.686   0.183   22.49    4      166.9     1081.4
   26   0   2   2 16.391  32.781   0.183   22.34    4       18.0       12.4
   27   1   3   1 16.402  32.803   0.183   22.31    4      223.1     1917.2
   28   2   1   0 16.484  32.969   0.184   22.07    4      184.6     1299.4
   29   1   3  -2 17.221  34.442   0.192   20.07    4      195.6     1326.4
   30   2   0  -2 17.231  34.462   0.192   20.04    2      155.0      416.0
   31   2   2   0 17.506  35.012   0.195   19.36    4        1.9        0.1
   32   2   1  -2 17.564  35.129   0.196   19.22    4      161.1      861.9
   33   2   3  -1 18.029  36.058   0.201   18.15    4       46.1       66.6
   34   0   3   2 18.073  36.146   0.201   18.06    4       85.2      226.1
   35   0   5   1 18.402  36.803   0.205   17.36    4      185.0     1026.2
   36   2   2  -2 18.534  37.068   0.206   17.08    4       20.3       12.2
   37   1   5   0 18.66   37.319   0.208   16.83    4       73.1      155.3
   38   1   4   1 18.719  37.438   0.208   16.72    4       23.0       15.3
   39   1   5  -1 18.908  37.815   0.21    16.35    4       70.2      139.0
   40   2   3   0 19.102  38.205   0.212   15.98    4      209.2     1207.6
   41   1   4  -2 19.453  38.905   0.216   15.35    4        4.0        0.4
   42   1   1   2 19.989  39.977   0.222   14.45    4       92.2      212.4
   43   2   3  -2 20.06   40.12    0.223   14.34    4      185.4      851.4
   44   2   4  -1 20.184  40.368   0.224   14.14    4       11.9        3.5
   45   0   4   2 20.224  40.448   0.224   14.08    4       88.2      189.3
   46   0   6   0 20.234  40.468   0.225   14.07    2       66.7       54.0
   47   2   1   1 20.704  41.408   0.229   13.36    4      198.4      908.7
   48   1   0  -3 20.853  41.707   0.231   13.15    2      205.7      480.6
   49   1   2   2 20.862  41.724   0.231   13.14    4      255.0     1475.1
   50   1   1  -3 21.138  42.276   0.234   12.76    4      109.7      265.1
   51   2   4   0 21.165  42.329   0.234   12.72    4       78.0      133.7
   52   1   5   1 21.38   42.76    0.237   12.44    4      161.2      557.8
   53   2   2   1 21.554  43.107   0.238   12.21    4      131.0      361.9
   54   0   6   1 21.657  43.315   0.24    12.08    4      145.0      438.9
   55   1   6   0 21.883  43.766   0.242   11.8     4      235.6     1131.8
   56   1   2  -3 21.974  43.947   0.243   11.69    4       31.4       19.9
   57   1   5  -2 22.04   44.079   0.244   11.62    4      184.1      679.8
   58   2   4  -2 22.048  44.096   0.244   11.61    4      193.0      746.8
   59   1   6  -1 22.101  44.201   0.244   11.54    4       61.0       74.3
   60   1   3   2 22.255  44.509   0.246   11.36    4       83.9      138.2
   61   2   1  -3 22.472  44.944   0.248   11.12    4      199.1      761.3
   62   3   0  -1 22.66   45.321   0.25    10.91    2      172.5      280.3
   63   2   5  -1 22.702  45.405   0.251   10.86    4       59.1       65.6
   64   0   5   2 22.739  45.477   0.251   10.83    4      184.2      634.5
   65   2   3   1 22.913  45.825   0.253   10.64    4       97.0      172.9
   66   3   1  -1 22.927  45.854   0.253   10.63    4      149.8      411.9
   67   0   1   3 22.993  45.986   0.254   10.56    4        3.8        0.3
   68   2   2  -3 23.269  46.539   0.256   10.27    4       66.5       78.4
   69   1   3  -3 23.313  46.627   0.257   10.23    4      114.8      232.9
   70   3   1  -2 23.552  47.105   0.259   10.0     4       83.7      120.9
   71   2   5   0 23.599  47.197   0.26     9.95    4      174.1      521.1
   72   3   2  -1 23.713  47.425   0.261    9.84    4       25.0       10.7
   73   0   2   3 23.777  47.554   0.262    9.78    4      225.6      860.2
   74   1   4   2 24.097  48.193   0.265    9.49    4       29.5       14.2
   75   1   6   1 24.308  48.615   0.267    9.31    4       13.6        3.0
   76   3   2  -2 24.323  48.645   0.267    9.29    4      257.9     1067.5
   77   2   5  -2 24.412  48.824   0.268    9.22    4      159.4      404.2
   78   2   3  -3 24.554  49.108   0.27     9.1     4      122.4      235.3
   79   2   4   1 24.717  49.433   0.271    8.96    4       30.2       14.1
   80   3   1   0 24.88   49.761   0.273    8.83    4      188.0      538.6
   81   1   6  -2 24.907  49.813   0.273    8.8     4       28.1       12.0
   82   3   3  -1 24.98   49.96    0.274    8.75    4      124.3      233.4
   83   0   3   3 25.042  50.083   0.275    8.7     4        1.3        0.0
   84   0   7   1 25.059  50.118   0.275    8.68    4      128.8      248.7
   85   1   4  -3 25.095  50.191   0.275    8.65    4      171.5      439.6
   86   1   7   0 25.261  50.522   0.277    8.53    4       73.5       79.4
   87   1   7  -1 25.456  50.913   0.279    8.38    4       75.9       83.3
   88   2   6  -1 25.512  51.024   0.28     8.34    4      212.0      647.2
   89   0   6   2 25.545  51.091   0.28     8.31    4        9.3        1.3
   90   3   3  -2 25.567  51.134   0.28     8.3     4       62.4       55.8
   91   3   2   0 25.62   51.241   0.281    8.26    4       57.1       46.5
   92   2   4  -3 26.273  52.547   0.287    7.8     4       17.0        3.9
   93   1   5   2 26.32   52.641   0.288    7.76    4       43.6       25.5
   94   2   6   0 26.336  52.672   0.288    7.75    4       12.4        2.0
   95   3   0  -3 26.381  52.762   0.288    7.72    2       71.4       34.0
   96   2   0   2 26.516  53.032   0.29     7.63    2      268.2      474.3
   97   3   1  -3 26.619  53.238   0.291    7.57    4      119.8      187.6
   98   3   4  -1 26.679  53.358   0.291    7.53    4      120.6      189.1
   99   0   4   3 26.738  53.476   0.292    7.49    4       73.1       69.1
  100   2   1   2 26.754  53.507   0.292    7.48    4       14.1        2.6
  101   3   3   0 26.821  53.643   0.293    7.44    4      155.0      308.7
  102   2   5   1 26.903  53.806   0.294    7.39    4      193.5      477.8
  103   2   6  -2 27.089  54.178   0.296    7.27    4       25.1        7.9
  104   3   4  -2 27.24   54.481   0.297    7.18    4        9.8        1.2
  105   1   5  -3 27.26   54.52    0.297    7.17    4       61.2       46.4
  106   1   0   3 27.303  54.605   0.298    7.14    2      172.3      183.0
  107   3   2  -3 27.326  54.651   0.298    7.13    4       11.5        1.6
  108   2   2   2 27.458  54.915   0.299    7.05    4       10.0        1.2
  109   1   7   1 27.46   54.92    0.299    7.05    4      237.4      686.4
  110   0   8   0 27.461  54.922   0.299    7.05    2      206.9      260.7
  111   1   1   3 27.535  55.071   0.3      7.01    4       42.8       22.2
  112   1   7  -2 28.011  56.021   0.305    6.74    4      142.5      236.3
  113   1   2   3 28.226  56.453   0.307    6.62    4       73.4       61.6
  114   2   5  -3 28.374  56.749   0.308    6.55    4      190.3      409.5
  115   3   4   0 28.443  56.886   0.309    6.51    4       30.2       10.3
  116   3   3  -3 28.477  56.953   0.309    6.49    4      119.6      160.3
  117   2   7  -1 28.569  57.139   0.31     6.44    4       26.7        7.9
  118   0   7   2 28.6    57.2     0.311    6.43    4      123.0      167.9
  119   2   3   2 28.605  57.21    0.311    6.43    4       26.2        7.6
  120   0   8   1 28.606  57.212   0.311    6.43    4       48.8       26.4
  121   2   0  -4 28.725  57.449   0.312    6.37    2      208.6      239.3
  122   3   5  -1 28.76   57.52    0.312    6.35    4       73.9       59.9
  123   1   8   0 28.791  57.582   0.313    6.33    4       37.9       15.7
  124   3   0   1 28.801  57.603   0.313    6.33    2      208.1      236.6
  125   1   1  -4 28.807  57.614   0.313    6.33    4       66.1       47.8
  126   0   5   3 28.816  57.633   0.313    6.32    4       22.0        5.3
  127   1   6   2 28.872  57.744   0.313    6.29    4      182.5      361.9
  128   2   1  -4 28.95   57.9     0.314    6.25    4       44.4       21.3
  129   1   8  -1 28.969  57.939   0.314    6.25    4      208.5      468.7
  130   3   1   1 29.026  58.053   0.315    6.22    4       37.0       14.7
  131   3   5  -2 29.295  58.589   0.318    6.09    4       35.1       13.0
  132   2   7   0 29.334  58.668   0.318    6.07    4      151.0      239.1
  133   1   3   3 29.354  58.708   0.318    6.06    4       90.2       85.2
  134   2   6   1 29.42   58.84    0.319    6.03    4      138.7      200.5
  135   1   2  -4 29.478  58.957   0.319    6.01    4      202.8      426.6
  136   2   2  -4 29.619  59.239   0.321    5.94    4       21.2        4.6
  137   3   2   1 29.695  59.389   0.322    5.91    4        5.0        0.3
  138   1   6  -3 29.757  59.514   0.322    5.88    4       54.3       30.0
  139   2   7  -2 30.037  60.074   0.325    5.76    4      147.8      217.3
  140   3   4  -3 30.039  60.079   0.325    5.76    4       70.7       49.7
  141   2   4   2 30.164  60.327   0.326    5.7     4      217.0      464.0
  142   3   5   0 30.445  60.89    0.329    5.59    4      159.5      245.5
  143   1   3  -4 30.577  61.154   0.33     5.53    4       49.3       23.3
  144   2   3  -4 30.715  61.43    0.332    5.48    4       73.8       51.5
  145   3   3   1 30.789  61.577   0.332    5.45    4       60.8       34.8
  146   2   6  -3 30.813  61.627   0.333    5.44    4       78.4       57.7
  147   1   8   1 30.819  61.638   0.333    5.44    4       29.4        8.1
  148   4   0  -2 30.888  61.777   0.333    5.41    2      278.7      363.0
  149   1   4   3 30.889  61.778   0.333    5.41    4      192.5      346.1
  150   0   0   4 31.006  62.011   0.334    5.37    2      187.3      162.6
  151   4   1  -2 31.104  62.208   0.335    5.33    4       43.4       17.3
  152   3   6  -1 31.18   62.361   0.336    5.3     4       66.6       40.7
  153   0   1   4 31.221  62.442   0.336    5.28    4      156.2      222.5
  154   0   6   3 31.234  62.468   0.337    5.28    4      252.4      580.7
  155   1   8  -2 31.332  62.664   0.338    5.24    4       16.1        2.3
  156   4   1  -1 31.493  62.986   0.339    5.18    4      134.6      162.2
  157   3   1  -4 31.629  63.257   0.34     5.14    4      126.4      141.7
  158   3   6  -2 31.69   63.38    0.341    5.11    4      238.0      500.4
  159   1   7   2 31.714  63.428   0.341    5.11    4       69.8       43.0
  160   4   2  -2 31.746  63.492   0.342    5.09    4       12.7        1.4
  161   2   8  -1 31.855  63.709   0.343    5.06    4       65.1       37.0
  162   0   2   4 31.861  63.723   0.343    5.05    4       12.0        1.3
  163   0   8   2 31.884  63.767   0.343    5.05    4       94.6       78.1
  164   3   5  -3 31.98   63.96    0.344    5.01    4       95.9       79.7
  165   1   4  -4 32.077  64.155   0.345    4.98    4       26.2        5.9
  166   2   5   2 32.1    64.2     0.345    4.97    4       18.9        3.1
  167   4   2  -1 32.131  64.261   0.345    4.96    4       25.8        5.7
  168   2   4  -4 32.212  64.423   0.346    4.93    4      215.0      394.1
  169   2   7   1 32.233  64.467   0.346    4.93    4       49.7       21.0
  170   3   2  -4 32.265  64.53    0.347    4.92    4      155.4      205.0
  171   3   4   1 32.283  64.567   0.347    4.91    4      163.5      226.6
  172   0   9   1 32.312  64.624   0.347    4.9     4      166.3      234.2
  173   1   9   0 32.484  64.968   0.349    4.85    4       87.8       64.5
  174   1   7  -3 32.553  65.106   0.349    4.82    4      163.6      222.9
  175   2   8   0 32.573  65.146   0.349    4.82    4       86.6       62.4
  176   1   9  -1 32.651  65.301   0.35     4.79    4       14.8        1.8
  177   3   6   0 32.791  65.582   0.352    4.75    4       55.0       24.8
  178   4   3  -2 32.8    65.6     0.352    4.75    4       43.9       15.8
  179   1   5   3 32.801  65.602   0.352    4.75    4       63.3       32.9
  180   4   1  -3 32.835  65.67    0.352    4.74    4       64.5       34.0
  181   0   3   4 32.914  65.827   0.353    4.71    4      129.0      135.4
  182   4   3  -1 33.178  66.357   0.355    4.63    4      115.5      106.7
  183   2   8  -2 33.236  66.472   0.356    4.61    4      137.6      150.9
  184   3   3  -4 33.31   66.621   0.356    4.59    4      119.0      112.3
  185   4   2  -3 33.459  66.918   0.358    4.55    4      179.2      252.2
  186   2   7  -3 33.559  67.119   0.359    4.52    4       63.0       31.0
  187   4   0   0 33.757  67.515   0.361    4.47    2      166.5      106.9
  188   3   7  -1 33.91   67.82    0.362    4.42    4      148.4      168.2
  189   1   5  -4 33.953  67.906   0.363    4.41    4       60.1       27.5
  190   0   7   3 33.961  67.923   0.363    4.41    4       26.4        5.3
  191   4   1   0 33.963  67.926   0.363    4.41    4       98.4       73.7
  192   2   1   3 34.047  68.093   0.363    4.39    4      123.4      115.4
  193   2   5  -4 34.083  68.167   0.364    4.38    4       29.9        6.7
  194   3   5   1 34.153  68.306   0.364    4.36    4       36.1        9.8
  195   4   4  -2 34.247  68.495   0.365    4.33    4      225.3      379.8
  196   3   6  -3 34.268  68.537   0.365    4.33    4        0.4        0.0
  197   0   4   4 34.359  68.717   0.366    4.3     4      143.5      153.2
  198   2   6   2 34.384  68.769   0.367    4.3     4       11.9        1.1
  199   1   9   1 34.386  68.773   0.367    4.3     4      102.6       78.1
  200   3   7  -2 34.398  68.797   0.367    4.29    4       33.8        8.5
  201   4   3  -3 34.486  68.972   0.368    4.27    4       26.2        5.1
  202   4   2   0 34.577  69.153   0.368    4.25    4       14.9        1.6
  203   4   4  -1 34.618  69.236   0.369    4.24    4       36.0        9.5
  204   2   2   3 34.66   69.319   0.369    4.23    4       41.1       12.3
  205   3   4  -4 34.747  69.494   0.37     4.21    4       29.7        6.4
  206   1   8   2 34.828  69.657   0.371    4.19    4       35.4        9.0
  207   1   9  -2 34.871  69.743   0.371    4.18    4      132.9      127.4
  208   3   1   2 34.88   69.76    0.371    4.17    4      102.3       75.4
  209   1   6   3 35.062  70.125   0.373    4.13    4       65.1       30.3
  210   0  10   0 35.2    70.399   0.374    4.1     2       55.4       10.9
  211   2   8   1 35.324  70.649   0.375    4.07    4       30.4        6.5
  212   2   9  -1 35.367  70.734   0.376    4.06    4       47.0       15.5
  213   0   9   2 35.394  70.789   0.376    4.05    4      109.6       84.1
  214   3   7   0 35.456  70.913   0.377    4.04    4      140.1      136.9
  215   3   2   2 35.486  70.973   0.377    4.03    4      173.1      208.6
  216   4   3   0 35.589  71.177   0.378    4.01    4       74.8       38.7
  217   1   8  -3 35.631  71.261   0.378    4.0     4      167.4      193.5
  218   2   3   3 35.671  71.341   0.379    3.99    4       85.7       50.6
  219   1   1   4 35.895  71.791   0.381    3.94    4      184.4      231.5
  220   4   4  -3 35.901  71.802   0.381    3.94    4       50.5       17.4
  221   2   9   0 36.051  72.101   0.382    3.91    4       76.8       39.9
  222   4   5  -2 36.068  72.135   0.382    3.91    4       21.9        3.2
  223   0   5   4 36.176  72.352   0.383    3.88    4      126.5      107.3
  224   1   6  -4 36.18   72.36    0.383    3.88    4      205.1      282.0
  225   0  10   1 36.202  72.405   0.383    3.88    4       95.1       60.6
  226   2   6  -4 36.307  72.614   0.384    3.86    4       35.2        8.2
  227   4   0  -4 36.331  72.662   0.385    3.85    2       39.9        5.3
  228   1  10   0 36.365  72.731   0.385    3.84    4      144.4      138.5
  229   3   6   1 36.375  72.749   0.385    3.84    4       54.9       20.0
  230   4   5  -1 36.43   72.86    0.385    3.83    4      160.6      170.7
  231   3   3   2 36.487  72.975   0.386    3.82    4       96.5       61.4
  232   1   2   4 36.495  72.989   0.386    3.82    4       26.8        4.7
  233   1  10  -1 36.523  73.047   0.386    3.81    4       33.7        7.5
  234   4   1  -4 36.53   73.06    0.386    3.81    4      177.2      206.7
  235   3   5  -4 36.556  73.113   0.387    3.81    4      122.7       99.0
  236   2   8  -3 36.597  73.194   0.387    3.8     4       46.2       14.0
  237   2   1  -5 36.611  73.222   0.387    3.79    4       98.2       63.2
  238   2   9  -2 36.684  73.368   0.388    3.78    4       62.9       25.8
  239   3   7  -3 36.884  73.769   0.39     3.74    4      197.1      250.9
  240   3   8  -1 36.935  73.869   0.39     3.73    4      155.3      155.4
  241   0   8   3 36.984  73.968   0.391    3.72    4       96.3       59.7
  242   4   4   0 36.986  73.971   0.391    3.72    4      179.2      206.5
  243   2   7   2 36.997  73.994   0.391    3.72    4        5.3        0.2
  244   2   4   3 37.066  74.132   0.391    3.71    4        5.6        0.2
  245   1   0  -5 37.119  74.238   0.392    3.7     2       37.5        4.5
  246   4   2  -4 37.125  74.25    0.392    3.7     4        3.4        0.1
  247   2   2  -5 37.206  74.412   0.393    3.68    4      130.9      108.9
  248   1   1  -5 37.317  74.633   0.394    3.66    4      125.8      100.0
  249   3   8  -2 37.406  74.811   0.394    3.65    4       16.5        1.7
  250   1   3   4 37.485  74.97    0.395    3.63    4      173.9      189.7
  251   1   7   3 37.655  75.31    0.397    3.6     4       81.3       41.1
  252   4   5  -3 37.687  75.375   0.397    3.6     4       95.0       56.1
  253   3   4   2 37.871  75.743   0.398    3.57    4       16.8        1.7
  254   1   2  -5 37.907  75.815   0.399    3.56    4        3.4        0.1
  255   3   0  -5 38.004  76.008   0.4      3.54    2      201.7      124.5
  256   4   3  -4 38.11   76.219   0.401    3.53    4      125.7       96.2
  257   1  10   1 38.18   76.361   0.401    3.51    4        8.1        0.4
  258   2   3  -5 38.189  76.379   0.401    3.51    4       58.0       20.4
  259   3   1  -5 38.2    76.4     0.401    3.51    4       12.8        1.0
  260   1   9   2 38.214  76.428   0.402    3.51    4       42.9       11.2
  261   4   6  -2 38.243  76.486   0.402    3.5     4       10.5        0.7
  262   4   1   1 38.32   76.64    0.402    3.49    4       46.1       12.8
  263   0   6   4 38.35   76.699   0.403    3.49    4        3.4        0.1
  264   3   8   0 38.43   76.86    0.403    3.47    4        6.9        0.3
  265   4   6  -1 38.598  77.196   0.405    3.45    4       63.3       23.9
  266   1  10  -2 38.646  77.293   0.405    3.44    4       28.0        4.7
  267   2   9   1 38.693  77.386   0.406    3.43    4      178.7      189.5
  268   3   6  -4 38.722  77.444   0.406    3.43    4      126.7       95.1
  269   1   7  -4 38.744  77.488   0.406    3.43    4       52.9       16.6
  270   4   5   0 38.754  77.507   0.406    3.43    4      137.0      111.1
  271   3   2  -5 38.786  77.573   0.407    3.42    4       40.8        9.8
  272   2   5   3 38.833  77.666   0.407    3.41    4      157.1      145.5
  273   1   4   4 38.857  77.713   0.407    3.41    4        2.6        0.0
  274   2   7  -4 38.868  77.736   0.407    3.41    4       51.7       15.7
  275   1   3  -5 38.885  77.77    0.407    3.41    4      122.5       88.3
  276   4   2   1 38.906  77.811   0.408    3.4     4      172.1      174.1
  277   3   7   1 38.934  77.868   0.408    3.4     4       91.8       49.4
  278   1   9  -3 38.989  77.978   0.408    3.39    4       67.9       27.0
  279   2  10  -1 39.124  78.247   0.41     3.37    4      230.7      310.1
  280   0  10   2 39.15   78.3     0.41     3.37    4        6.4        0.2
  281   4   4  -4 39.474  78.949   0.413    3.32    4       25.1        3.6
  282   2   4  -5 39.553  79.107   0.413    3.31    4        6.1        0.2
  283   3   5   2 39.627  79.253   0.414    3.3     4      111.2       70.5
  284   3   3  -5 39.758  79.515   0.415    3.29    4       22.0        2.7
  285   2  10   0 39.784  79.568   0.415    3.28    4       26.7        4.0
  286   3   8  -3 39.82   79.64    0.416    3.28    4       48.5       13.3
  287   4   6  -3 39.833  79.665   0.416    3.28    4      160.6      146.0
  288   4   3   1 39.876  79.752   0.416    3.27    4       61.4       21.3
  289   2   9  -3 39.927  79.853   0.417    3.26    4      197.9      220.8
  290   2   8   2 39.93   79.859   0.417    3.26    4      185.8      194.5
  291   5   1  -2 39.97   79.94    0.417    3.26    4      115.8       75.4
  292   1   4  -5 40.242  80.485   0.419    3.22    4       29.7        4.9
  293   3   9  -1 40.255  80.511   0.419    3.22    4       68.9       26.4
  294   0   1   5 40.277  80.553   0.42     3.22    4      108.3       65.2
  295   0   9   3 40.304  80.607   0.42     3.22    4       21.3        2.5
  296   0  11   1 40.317  80.634   0.42     3.22    4      112.5       70.3
  297   2  10  -2 40.398  80.795   0.421    3.21    4       24.4        3.3
  298   1  11   0 40.475  80.949   0.421    3.2     4       50.9       14.3
  299   5   0  -3 40.543  81.087   0.422    3.19    2      155.5       66.6
  300   5   2  -2 40.549  81.098   0.422    3.19    4      127.7       89.9
  301   1   8   3 40.573  81.147   0.422    3.19    4      170.1      159.2
  302   1   5   4 40.6    81.199   0.422    3.18    4      130.0       92.9
  303   1  11  -1 40.628  81.255   0.423    3.18    4       95.1       49.6
  304   3   9  -2 40.715  81.429   0.423    3.17    4       27.5        4.1
  305   5   1  -3 40.736  81.472   0.424    3.17    4       13.7        1.0
  306   4   7  -2 40.765  81.53    0.424    3.16    4       53.9       15.9
  307   0   2   5 40.855  81.709   0.425    3.15    4       62.0       20.9
  308   0   7   4 40.87   81.739   0.425    3.15    4      136.0      100.7
  309   4   6   0 40.883  81.766   0.425    3.15    4       24.9        3.4
  310   5   0  -1 40.937  81.873   0.425    3.14    2       56.6        8.7
  311   2   6   3 40.961  81.923   0.426    3.14    4       80.8       35.5
  312   3   4  -5 41.107  82.215   0.427    3.13    4      192.2      199.4
  313   4   7  -1 41.114  82.228   0.427    3.13    4      109.3       64.6
  314   5   1  -1 41.129  82.257   0.427    3.12    4       85.1       39.1
  315   4   5  -4 41.211  82.422   0.428    3.12    4      149.4      120.1
  316   4   4   1 41.225  82.45    0.428    3.11    4       45.4       11.1
  317   3   7  -4 41.236  82.472   0.428    3.11    4      106.5       61.0
  318   2   5  -5 41.289  82.578   0.428    3.11    4      110.6       65.6
  319   5   2  -3 41.313  82.626   0.429    3.11    4       42.4        9.6
  320   5   3  -2 41.51   83.021   0.43     3.09    4      125.1       83.4
  321   1   8  -4 41.642  83.283   0.431    3.07    4        4.7        0.1
  322   5   2  -1 41.704  83.409   0.432    3.07    4        0.9        0.0
  323   3   9   0 41.717  83.434   0.432    3.06    4      105.1       58.5
  324   3   6   2 41.745  83.491   0.432    3.06    4      173.6      159.3
  325   2   8  -4 41.763  83.527   0.432    3.06    4      154.3      125.9
  326   0   3   5 41.814  83.629   0.433    3.06    4       70.3       26.1
  327   3   8   1 41.829  83.657   0.433    3.05    4      194.2      198.9
  328   1  10   2 41.888  83.777   0.433    3.05    4      141.5      105.4
  329   1   5  -5 41.972  83.944   0.434    3.04    4       84.0       37.1
  330   4   1  -5 42.003  84.006   0.434    3.04    4       34.2        6.1
  331   3   0   3 42.042  84.083   0.435    3.03    2       58.4        8.9
  332   3   1   3 42.233  84.466   0.436    3.02    4      116.5       70.8
  333   1  11   1 42.238  84.477   0.436    3.02    4      206.7      222.7
  334   5   3  -3 42.271  84.541   0.437    3.01    4       14.7        1.1
  335   4   7  -3 42.332  84.663   0.437    3.01    4       64.2       21.4
  336   2  10   1 42.357  84.714   0.437    3.01    4      127.3       84.1
  337   2   0   4 42.367  84.734   0.437    3.01    2      120.1       37.4
  338   2   1   4 42.558  85.117   0.439    2.99    4      159.3      131.0
  339   4   2  -5 42.577  85.154   0.439    2.99    4      152.0      119.2
  340   1  10  -3 42.648  85.295   0.44     2.98    4       65.1       21.8
  341   5   3  -1 42.661  85.322   0.44     2.98    4      137.1       96.8
  342   1  11  -2 42.694  85.387   0.44     2.98    4       84.2       36.5
  343   1   6   4 42.709  85.417   0.44     2.98    4       15.5        1.2
  344   3   2   3 42.806  85.613   0.441    2.97    4       10.5        0.6
  345   3   5  -5 42.831  85.662   0.441    2.97    4        4.7        0.1
  346   5   4  -2 42.85   85.699   0.441    2.97    4       32.4        5.4
  347   4   5   1 42.948  85.895   0.442    2.96    4       36.3        6.7
  348   3   9  -3 43.083  86.166   0.443    2.95    4      103.4       54.5
  349   2   2   4 43.131  86.262   0.444    2.94    4        7.2        0.3
  350   0   4   5 43.152  86.305   0.444    2.94    4        2.8        0.0
  351   2  11  -1 43.161  86.323   0.444    2.94    4       10.9        0.6
  352   0  11   2 43.187  86.375   0.444    2.94    4      127.5       82.6
  353   2   9   2 43.191  86.383   0.444    2.94    4        6.2        0.2
  354   4   6  -4 43.315  86.63    0.445    2.93    4       29.0        4.3
  355   4   7   0 43.371  86.742   0.446    2.93    4       56.1       15.9
  356   2   6  -5 43.393  86.785   0.446    2.92    4      136.1       93.5
  357   5   1  -4 43.407  86.815   0.446    2.92    4      158.2      126.4
  358   2   7   3 43.449  86.898   0.446    2.92    4       92.0       42.7
  359   4   3  -5 43.531  87.062   0.447    2.92    4       50.5       12.8
  360   2  10  -3 43.57   87.139   0.447    2.91    4       65.3       21.4
  361   5   4  -3 43.607  87.214   0.448    2.91    4      195.8      192.8
  362   4   8  -2 43.636  87.271   0.448    2.91    4      138.6       96.4
  363   0   8   4 43.739  87.479   0.449    2.9     4       75.7       28.7
  364   3   3   3 43.76   87.52    0.449    2.9     4      136.5       93.3
  365   0  12   0 43.766  87.532   0.449    2.9     2      146.9       54.0
  366   2  11   0 43.81   87.62    0.449    2.9     4      124.5       77.5
  367   1   9   3 43.827  87.654   0.45     2.9     4       49.4       12.2
  368   3  10  -1 43.894  87.788   0.45     2.89    4       33.7        5.7
  369   0  10   3 43.941  87.883   0.45     2.89    4      195.8      191.2
  370   5   2  -4 43.979  87.958   0.451    2.89    4       91.9       42.1
  371   4   8  -1 43.982  87.963   0.451    2.89    4       45.0       10.1
  372   5   4  -1 43.996  87.992   0.451    2.88    4       87.5       38.1
  373   1   6  -5 44.071  88.143   0.451    2.88    4       10.4        0.5
  374   2   3   4 44.084  88.168   0.452    2.88    4      122.6       74.8
  375   3   8  -4 44.103  88.205   0.452    2.88    4        8.2        0.3
  376   5   1   0 44.185  88.371   0.452    2.87    4       36.2        6.5
  377   3   7   2 44.227  88.454   0.453    2.87    4       80.9       32.5
  378   4   0   2 44.237  88.473   0.453    2.87    2      112.4       31.3
  379   3  10  -2 44.348  88.695   0.454    2.86    4      150.1      111.5
  380   2  11  -2 44.415  88.83    0.454    2.86    4       94.4       44.0
  381   4   1   2 44.427  88.854   0.454    2.86    4      121.7       73.1
  382   5   5  -2 44.565  89.13    0.455    2.85    4      105.1       54.4
  383   0  12   1 44.716  89.433   0.457    2.84    4       25.0        3.1
  384   5   2   0 44.757  89.513   0.457    2.84    4      224.6      247.4
  385   4   4  -5 44.864  89.729   0.458    2.84    4       56.9       15.9
  386   0   5   5 44.867  89.734   0.458    2.84    4      131.6       84.8
  387   1  12   0 44.872  89.744   0.458    2.83    4       51.3       12.9
  388   1   9  -4 44.886  89.771   0.458    2.83    4       37.1        6.7
  389   3   6  -5 44.927  89.854   0.458    2.83    4       72.3       25.6
  390   5   3  -4 44.931  89.862   0.458    2.83    4      143.0      100.0
  391   4   2   2 44.998  89.997   0.459    2.83    4        8.7        0.4


  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   1   1   8.111  16.222  5.45939     3627.6     41.5     41.6     5.6
    2   1   0  -1   8.517  17.035  5.20068     3027.0     34.6     34.7     5.6
    3   1   1   0   8.65   17.301  5.12143     2688.4     30.8     30.8     5.6
    4   1   1  -1   9.145  18.29   4.84657      222.8      2.5      2.6     5.6
    5   0   2   1   9.953  19.906  4.45649     1410.8     16.1     16.1     5.6
    6   1   2   0  10.4    20.801  4.26689     8740.9    100.0    100.0     5.6
    7   1   2  -1  10.818  21.636  4.10399      297.9      3.4      3.4     5.6
    8   0   3   1  12.451  24.903  3.57252      438.0      5.0      5.0     5.6
    9   1   3   0  12.816  25.632  3.4726      1202.4     13.8     13.7     5.6
   10   1   3  -1  13.161  26.322  3.38307      388.6      4.4      4.4     5.6
   11   0   4   0  13.331  26.661  3.34075     3602.3     41.2     41.0     5.6
   12   1   1  -2  14.307  28.614  3.11706     3379.8     38.7     38.4     5.6
   13   0   0   2  14.925  29.851  2.99067      548.8      6.3      6.2     5.6
   14   2   1  -1  15.253  30.505  2.92797       99.9      1.1      1.1     5.6
   15   0   1   2  15.304  30.607  2.91847     1938.6     22.2     22.0     5.6
   16   1   2  -2  15.458  30.915  2.89009      201.5      2.3      2.3     5.6
   17   1   4  -1  15.905  31.81   2.81079     1508.3     17.3     17.1     5.6
   18   2   0   0  16.131  32.262  2.77241      283.9      3.2      3.2     5.6
   19   2   2  -1  16.343  32.686  2.73747     1081.4     12.4     12.3     5.6
   20   1   3   1  16.402  32.803  2.72791     1929.7     22.1     21.9     5.6
   21   2   1   0  16.484  32.969  2.7146      1299.4     14.9     14.7     5.6
   22   1   3  -2  17.221  34.442  2.60181     1742.4     19.9     19.7     5.7
   23   2   1  -2  17.564  35.129  2.55246      861.9      9.9      9.7     5.7
   24   0   3   2  18.073  36.146  2.48294      226.1      2.6      2.6     5.7
   25   0   5   1  18.402  36.803  2.44009     1026.2     11.7     11.6     5.7
   26   1   5   0  18.66   37.319  2.40753      155.3      1.8      1.8     5.7
   27   1   5  -1  18.908  37.815  2.37709      139.0      1.6      1.6     5.7
   28   2   3   0  19.102  38.205  2.35374     1207.6     13.8     13.6     5.7
   29   1   1   2  19.989  39.977  2.25337      212.4      2.4      2.4     5.7
   30   2   3  -2  20.06   40.12   2.24568      851.4      9.7      9.6     5.7
   31   0   4   2  20.224  40.448  2.22825      243.3      2.8      2.7     5.7
   32   2   1   1  20.704  41.408  2.17874      908.7     10.4     10.2     5.7
   33   1   2   2  20.862  41.724  2.163       1955.8     22.4     22.0     5.7
   34   1   1  -3  21.138  42.276  2.13601      398.8      4.6      4.5     5.7
   35   1   5   1  21.38   42.76   2.11297      557.8      6.4      6.3     5.7
   36   2   2   1  21.554  43.107  2.09674      361.9      4.1      4.1     5.7
   37   0   6   1  21.657  43.315  2.08717      438.9      5.0      4.9     5.7
   38   1   6   0  21.883  43.766  2.06668     1131.8     12.9     12.7     5.7
   39   2   4  -2  22.048  44.096  2.05199     1426.6     16.3     16.0     5.7
   40   1   3   2  22.255  44.509  2.03388      138.2      1.6      1.5     5.7
   41   2   1  -3  22.472  44.944  2.01522      761.3      8.7      8.5     5.7
   42   3   0  -1  22.66   45.321  1.99933      280.3      3.2      3.1     5.7
   43   0   5   2  22.739  45.477  1.99281      634.5      7.3      7.1     5.7
   44   3   1  -1  22.927  45.854  1.97732      584.8      6.7      6.5     5.7
   45   1   3  -3  23.313  46.627  1.94634      232.9      2.7      2.6     5.7
   46   3   1  -2  23.552  47.105  1.92768      120.9      1.4      1.4     5.7
   47   2   5   0  23.599  47.197  1.92413      521.1      6.0      5.8     5.7
   48   0   2   3  23.777  47.554  1.91053      860.2      9.8      9.6     5.7
   49   3   2  -2  24.323  48.645  1.87019     1070.5     12.2     11.9     5.7
   50   2   5  -2  24.412  48.824  1.86374      404.2      4.6      4.5     5.7
   51   2   3  -3  24.554  49.108  1.85364      235.3      2.7      2.6     5.7
   52   3   1   0  24.88   49.761  1.83084      550.6      6.3      6.1     5.7
   53   3   3  -1  24.98   49.96   1.82401      233.4      2.7      2.6     5.7
   54   0   7   1  25.059  50.118  1.81862      248.7      2.8      2.8     5.7
   55   1   4  -3  25.095  50.191  1.81615      439.6      5.0      4.9     5.7
   56   2   6  -1  25.512  51.024  1.78843      647.2      7.4      7.2     5.8
   57   2   0   2  26.516  53.032  1.72535      474.3      5.4      5.3     5.8
   58   3   1  -3  26.619  53.238  1.71915      187.6      2.1      2.1     5.8
   59   3   4  -1  26.679  53.358  1.71557      189.1      2.2      2.1     5.8
   60   3   3   0  26.821  53.643  1.70714      308.7      3.5      3.4     5.8
   61   2   5   1  26.903  53.806  1.70236      477.8      5.5      5.3     5.8
   62   1   0   3  27.303  54.605  1.6793       184.7      2.1      2.0     5.8
   63   0   8   0  27.461  54.922  1.67037      948.3     10.8     10.5     5.8
   64   1   7  -2  28.011  56.021  1.64017      236.3      2.7      2.6     5.8
   65   2   5  -3  28.374  56.749  1.62085      409.5      4.7      4.5     5.8
   66   3   3  -3  28.477  56.953  1.61552      160.3      1.8      1.8     5.8
   67   0   7   2  28.6    57.2    1.60912      202.0      2.3      2.2     5.8
   68   2   0  -4  28.725  57.449  1.60274      239.3      2.7      2.6     5.8
   69   1   1  -4  28.807  57.614  1.59856      305.4      3.5      3.4     5.8
   70   1   6   2  28.872  57.744  1.59528      361.9      4.1      4.0     5.8
   71   1   8  -1  28.969  57.939  1.59036      490.0      5.6      5.4     5.8
   72   2   7   0  29.334  58.668  1.57231      324.2      3.7      3.6     5.8
   73   2   6   1  29.42   58.84   1.56813      200.5      2.3      2.2     5.8
   74   1   2  -4  29.478  58.957  1.56531      426.6      4.9      4.7     5.8
   75   2   7  -2  30.037  60.074  1.53884      266.9      3.1      2.9     5.8
   76   2   4   2  30.164  60.327  1.53298      464.0      5.3      5.1     5.8
   77   3   5   0  30.445  60.89   1.52016      245.5      2.8      2.7     5.8
   78   2   6  -3  30.813  61.627  1.50373      100.6      1.2      1.1     5.8
   79   4   0  -2  30.888  61.777  1.50045      709.1      8.1      7.8     5.8
   80   0   0   4  31.006  62.011  1.49533      162.6      1.9      1.8     5.8
   81   0   6   3  31.234  62.468  1.4855       803.3      9.2      8.8     5.8
   82   4   1  -1  31.493  62.986  1.47451      162.2      1.9      1.8     5.9
   83   3   1  -4  31.629  63.257  1.46884      141.7      1.6      1.5     5.9
   84   3   6  -2  31.69   63.38   1.4663       543.4      6.2      5.9     5.9
   85   0   8   2  31.884  63.767  1.45833      116.3      1.3      1.3     5.9
   86   2   4  -4  32.212  64.423  1.44505      415.1      4.7      4.5     5.9
   87   3   4   1  32.283  64.567  1.44218      665.8      7.6      7.3     5.9
   88   1   7  -3  32.553  65.106  1.43153      285.3      3.3      3.1     5.9
   89   0   3   4  32.914  65.827  1.41759      135.4      1.5      1.5     5.9
   90   4   3  -1  33.178  66.357  1.40755      106.7      1.2      1.2     5.9
   91   2   8  -2  33.236  66.472  1.4054       150.9      1.7      1.6     5.9
   92   3   3  -4  33.31   66.621  1.40262      112.3      1.3      1.2     5.9
   93   4   2  -3  33.459  66.918  1.39711      252.2      2.9      2.7     5.9
   94   4   0   0  33.757  67.515  1.3862       106.9      1.2      1.2     5.9
   95   3   7  -1  33.91   67.82   1.3807       168.2      1.9      1.8     5.9
   96   4   1   0  33.963  67.926  1.37881      106.5      1.2      1.2     5.9
   97   2   1   3  34.047  68.093  1.37582      115.4      1.3      1.3     5.9
   98   4   4  -2  34.247  68.495  1.36873      379.8      4.3      4.1     5.9
   99   0   4   4  34.359  68.717  1.36485      232.4      2.7      2.5     5.9
  100   1   9  -2  34.871  69.743  1.34727      202.8      2.3      2.2     5.9
  101   0   9   2  35.394  70.789  1.3299        99.6      1.1      1.1     5.9
  102   3   7   0  35.456  70.913  1.32788      136.9      1.6      1.5     5.9
  103   3   2   2  35.486  70.973  1.32691      208.6      2.4      2.3     5.9
  104   1   8  -3  35.631  71.261  1.32224      193.5      2.2      2.1     5.9
  105   1   1   4  35.895  71.791  1.31378      248.9      2.8      2.7     5.9
  106   1   6  -4  36.18   72.36   1.30484      449.9      5.1      4.8     5.9
  107   1  10   0  36.365  72.731  1.29911      158.4      1.8      1.7     6.0
  108   4   5  -1  36.43   72.86   1.29712      170.7      2.0      1.8     6.0
  109   4   1  -4  36.53   73.06   1.29406      313.1      3.6      3.4     6.0
  110   3   7  -3  36.884  73.769  1.28336      250.9      2.9      2.7     6.0
  111   3   8  -1  36.935  73.869  1.28187      155.4      1.8      1.7     6.0
  112   4   4   0  36.986  73.971  1.28036      266.4      3.0      2.9     6.0
  113   2   2  -5  37.206  74.412  1.27387      108.9      1.2      1.2     6.0
  114   1   1  -5  37.317  74.633  1.27063      100.0      1.1      1.1     6.0
  115   1   3   4  37.485  74.97   1.26576      189.7      2.2      2.0     6.0
  116   3   0  -5  38.004  76.008  1.25103      124.5      1.4      1.3     6.0
  117   4   3  -4  38.11   76.219  1.24809       96.2      1.1      1.0     6.0
  118   2   9   1  38.693  77.386  1.23216      284.6      3.3      3.0     6.0
  119   4   5   0  38.754  77.507  1.23053      127.7      1.5      1.4     6.0
  120   2   5   3  38.833  77.666  1.22841      145.6      1.7      1.5     6.0
  121   4   2   1  38.906  77.811  1.22648      327.5      3.7      3.5     6.0
  122   2  10  -1  39.124  78.247  1.22074      310.3      3.6      3.3     6.0
  123   4   6  -3  39.833  79.665  1.20253      159.3      1.8      1.7     6.0
  124   2   9  -3  39.927  79.853  1.20017      415.4      4.8      4.4     6.0
  125   0   1   5  40.277  80.553  1.1915        99.1      1.1      1.0     6.1
  126   1   8   3  40.573  81.147  1.18428      458.1      5.2      4.8     6.1
  127   0   7   4  40.87   81.739  1.17718      125.0      1.4      1.3     6.1
  128   3   4  -5  41.107  82.215  1.17158      303.0      3.5      3.2     6.1
  129   4   5  -4  41.211  82.422  1.16916      192.1      2.2      2.0     6.1
  130   3   6   2  41.745  83.491  1.15689      343.7      3.9      3.6     6.1
  131   3   8   1  41.829  83.657  1.15501      225.0      2.6      2.4     6.1
  132   1  10   2  41.888  83.777  1.15367      105.4      1.2      1.1     6.1
  133   1  11   1  42.238  84.477  1.14588      293.5      3.4      3.1     6.1
  134   2  10   1  42.357  84.714  1.14327      143.0      1.6      1.5     6.1
  135   2   1   4  42.558  85.117  1.1389       250.2      2.9      2.6     6.1
  136   5   3  -1  42.661  85.322  1.13668      118.6      1.4      1.2     6.1
  137   5   1  -4  43.407  86.815  1.12093      235.8      2.7      2.5     6.1
  138   5   4  -3  43.607  87.214  1.11682      289.2      3.3      3.0     6.2
  139   0  12   0  43.766  87.532  1.11358      176.1      2.0      1.8     6.2
  140   2  11   0  43.81   87.62   1.11269       89.7      1.0      0.9     6.2
  141   0  10   3  43.941  87.883  1.11004      191.2      2.2      2.0     6.2
  142   5   2  -4  43.979  87.958  1.10928       90.3      1.0      0.9     6.2
  143   3  10  -2  44.348  88.695  1.10196      111.5      1.3      1.2     6.2
  144   4   1   2  44.427  88.854  1.1004       117.1      1.3      1.2     6.2
  145   5   2   0  44.757  89.513  1.094        247.4      2.8      2.6     6.2
  146   0   5   5  44.867  89.734  1.09188      120.3      1.4      1.2     6.2
  147   5   3  -4  44.931  89.862  1.09065      125.5      1.4      1.3     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)