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       ***
                  ***********************
HOPEITE

1, f-hopeite

Zn(3)[PO(4)](2).4H(2)O


Orthorhombic  P nma  Z = 4

R =0.068          NR =1471

14 .10 .1993

Ref.Str.:

         Whitaker A.(1975)

         * Acta Cryst., B 31, 2026-2035

Reserv:

         T.V.Ush.

                   Initial data from BDM-file 

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

             a =  10.629    alpha =   90.0 
             b =  18.339    beta  =   90.0 
             c =   5.04     gamma =   90.0 

    Unit cell volume (cub. angs.) =   982.42

    Molar volume ( cub.cm/mol.) =   147.94

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

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

   1 0.2362  0.25    0.5728   0.0    Zn    = 1.00
   2 0.1427  0.9991  0.2077   0.0    Zn    = 1.00
   3 0.1028  0.0942  0.7259   0.0    P     = 1.00
   4 0.1074  0.25    0.2573   0.0    O     = 1.00
   5 0.3861  0.25    0.849    0.0    O     = 1.00
   6 0.3352  0.1698  0.3392   0.0    O     = 1.00
   7 0.1401  0.1726  0.7847   0.0    O     = 1.00
   8 0.1     0.0799  0.4298   0.0    O     = 1.00
   9 0.4755  0.0787  0.6414   0.0    O     = 1.00
  10 0.198   0.0407  0.8607   0.0    O     = 1.00
  11 0.122   0.188   0.121    0.0    H     = 1.00
  12 0.456   0.198   0.792    0.0    H     = 1.00
  13 0.233   0.134   0.248    0.0    H     = 1.00
  14 0.396   0.136   0.493    0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2362     0.25       0.5728
     2       2     0.1427     0.9991     0.2077
     3       3     0.1028     0.0942     0.7259
     4       4     0.1074     0.25       0.2573
     5       5     0.3861     0.25       0.849 
     6       6     0.3352     0.1698     0.3392
     7       7     0.1401     0.1726     0.7847
     8       8     0.1        0.0799     0.4298
     9       9     0.4755     0.0787     0.6414
    10      10     0.198      0.0407     0.8607
    11      11     0.122      0.188      0.121 
    12      12     0.456      0.198      0.792 
    13      13     0.233      0.134      0.248 
    14      14     0.396      0.136      0.493 
    15       1     0.2638     0.75       0.0728
    16       2     0.3573     0.0009     0.7077
    17       3     0.3972     0.9058     0.2259
    18       4     0.3926     0.75       0.7573
    19       5     0.1139     0.75       0.349 
    20       6     0.1648     0.8302     0.8392
    21       7     0.3599     0.8274     0.2847
    22       8     0.4        0.9201     0.9298
    23       9     0.0245     0.9213     0.1414
    24      10     0.302      0.9593     0.3607
    25      11     0.378      0.812      0.621 
    26      12     0.044      0.802      0.292 
    27      13     0.267      0.866      0.748 
    28      14     0.104      0.864      0.993 
    29       2     0.3573     0.4991     0.7077
    30       3     0.3972     0.5942     0.2259
    31       6     0.1648     0.6698     0.8392
    32       7     0.3599     0.6726     0.2847
    33       8     0.4        0.5799     0.9298
    34       9     0.0245     0.5787     0.1414
    35      10     0.302      0.5407     0.3607
    36      11     0.378      0.688      0.621 
    37      12     0.044      0.698      0.292 
    38      13     0.267      0.634      0.748 
    39      14     0.104      0.636      0.993 
    40       2     0.1427     0.5009     0.2077
    41       3     0.1028     0.4058     0.7259
    42       6     0.3352     0.3302     0.3392
    43       7     0.1401     0.3274     0.7847
    44       8     0.1        0.4201     0.4298
    45       9     0.4755     0.4213     0.6414
    46      10     0.198      0.4593     0.8607
    47      11     0.122      0.312      0.121 
    48      12     0.456      0.302      0.792 
    49      13     0.233      0.366      0.248 
    50      14     0.396      0.364      0.493 
    51       1     0.7362     0.25       0.9272
    52       2     0.6427     0.9991     0.2923
    53       3     0.6029     0.0942     0.7741
    54       4     0.6074     0.25       0.2427
    55       5     0.8861     0.25       0.651 
    56       6     0.8352     0.1698     0.1608
    57       7     0.6401     0.1726     0.7153
    58       8     0.6        0.0799     0.0702
    59       9     0.9755     0.0787     0.8586
    60      10     0.698      0.0407     0.6393
    61      11     0.622      0.188      0.379 
    62      12     0.956      0.198      0.708 
    63      13     0.733      0.134      0.252 
    64      14     0.896      0.136      0.007 
    65       1     0.7638     0.75       0.4272
    66       2     0.8573     0.0009     0.7923
    67       3     0.8972     0.9058     0.2741
    68       4     0.8926     0.75       0.7427
    69       5     0.6139     0.75       0.151 
    70       6     0.6648     0.8302     0.6608
    71       7     0.8599     0.8274     0.2153
    72       8     0.9        0.9201     0.5702
    73       9     0.5245     0.9213     0.3586
    74      10     0.802      0.9593     0.1393
    75      11     0.878      0.812      0.879 
    76      12     0.544      0.802      0.208 
    77      13     0.767      0.866      0.752 
    78      14     0.604      0.864      0.507 
    79       2     0.8573     0.4991     0.7923
    80       3     0.8972     0.5942     0.2741
    81       6     0.6648     0.6698     0.6608
    82       7     0.8599     0.6726     0.2153
    83       8     0.9        0.5799     0.5702
    84       9     0.5245     0.5787     0.3586
    85      10     0.802      0.5407     0.1393
    86      11     0.878      0.688      0.879 
    87      12     0.544      0.698      0.208 
    88      13     0.767      0.634      0.752 
    89      14     0.604      0.636      0.507 
    90       2     0.6427     0.5009     0.2923
    91       3     0.6028     0.4058     0.7741
    92       6     0.8352     0.3302     0.1608
    93       7     0.6401     0.3274     0.7153
    94       8     0.6        0.4201     0.0702
    95       9     0.9755     0.4213     0.8586
    96      10     0.698      0.4593     0.6393
    97      11     0.622      0.312      0.379 
    98      12     0.956      0.302      0.708 
    99      13     0.733      0.366      0.252 
   100      14     0.896      0.364      0.007 


X-ray density (g/cm cub.)   =      3.1 

MU (1/cm) =     125.909    Mass attenuation coefficient (cm**2/g) =     40.662

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

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

    1    Zn                  2.628        6
                                                 2.0985       4
                                                 2.1161       5
                                                 2.1586       6
                                                 2.0481       7
                                                 2.1586       6
                                                 2.0481       7
    2    Zn                  2.628        4
                                                 1.9118       8
                                                 1.9961      10
                                                 1.9301       9
                                                 1.9992      10
    3    P                   2.232        4
                                                 1.5211       7
                                                 1.5152       8
                                                 1.5644      10
                                                 1.5363       9
    4    O                   3.264        9
                                                 2.8635       6
                                                 3.0327       7
                                                 2.7943       7
                                                 3.2386       8
                                                 2.8635       6
                                                 3.0327       7
                                                 2.7943       7
                                                 3.2386       8
                                                 3.0767       5
    5    O                   3.264        9
                                                 2.9259       6
                                                 3.0101       6
                                                 2.9927       7
                                                 2.9259       6
                                                 3.0101       6
                                                 2.9927       7
                                                 3.0767       4
                                                 3.1229       7
                                                 3.1229       7
    6    O                   3.264        7
                                                 2.8635       4
                                                 3.0101       5
                                                 2.9259       5
                                                 3.0569       7
                                                 3.0283       8
                                                 2.7084       9
                                                 2.9427       6
    7    O                   3.264        9
                                                 2.7943       4
                                                 3.0327       4
                                                 2.9927       5
                                                 3.0569       6
                                                 2.504        8
                                                 2.5265      10
                                                 2.837        7
                                                 3.1229       5
                                                 2.4838       9
    8    O                   3.264        8
                                                 3.2386       4
                                                 3.0283       6
                                                 2.504        7
                                                 2.5134      10
                                                 3.1354      10
                                                 3.1022      10
                                                 2.5342       9
                                                 3.1687       9
    9    O                   3.264        8
                                                 2.7084       6
                                                 3.2265      10
                                                 3.1925      10
                                                 2.4838       7
                                                 2.5342       8
                                                 3.1687       8
                                                 2.4649      10
                                                 3.2601       9
   10    O                   3.264        9
                                                 2.5265       7
                                                 3.1354       8
                                                 2.5134       8
                                                 3.2265       9
                                                 3.1022       8
                                                 3.1925       9
                                                 3.1304      10
                                                 3.1304      10
                                                 2.4649       9
   11    H                   1.632        1
                                                 1.3375       4
   12    H                   1.632        1
                                                 1.2423       5
   13    H                   1.632        1
                                                 1.3497       6
   14    H                   1.632        2
                                                 1.1841       6
                                                 1.5425       9

  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  4.819   9.638   0.055  280.44    2      133.0     1028.1
    2   2   0   0  8.334  16.668   0.094   92.26    2      121.4      281.9
    3   2   1   0  8.679  17.358   0.098   84.89    4      106.9      402.2
    4   0   1   1  9.12   18.24    0.103   76.68    4      125.4      499.4
    5   2   2   0  9.644  19.288   0.109   68.34    4       73.8      154.1
    6   0   4   0  9.672  19.344   0.109   67.93    2      220.5      684.4
    7   1   0   1  9.738  19.476   0.11    66.99    4       35.8       35.6
    8   1   1   1 10.037  20.074   0.113   62.93    8      110.3      634.1
    9   1   2   1 10.886  21.772   0.123   53.17    8       43.1       82.0
   10   2   3   0 11.073  22.145   0.125   51.33    4      127.9      348.2
   11   0   3   1 11.425  22.849   0.129   48.08    4      100.5      201.3
   12   2   0   1 12.159  24.319   0.137   42.2     4       60.8       64.6
   13   1   3   1 12.176  24.353   0.137   42.08    8       56.4      110.8
   14   2   1   1 12.403  24.805   0.139   40.49    8        5.3        1.0
   15   2   4   0 12.82   25.64    0.144   37.76    4      179.4      503.6
   16   2   2   1 13.107  26.213   0.147   36.04    8      152.5      694.6
   17   1   4   1 13.792  27.585   0.155   32.35    8       15.9        6.7
   18   2   3   1 14.208  28.416   0.159   30.37    8       78.7      155.8
   19   0   6   0 14.597  29.193   0.164   28.67    2       27.9        4.6
   20   2   5   0 14.784  29.567   0.166   27.9     4       75.2       65.5
   21   0   5   1 15.054  30.109   0.169   26.84    4      110.1      134.9
   22   3   0   1 15.412  30.823   0.173   25.52    4       35.1       13.1
   23   3   1   1 15.608  31.216   0.175   24.83    8       58.0       69.3
   24   2   4   1 15.63   31.261   0.175   24.76    8      282.7     1640.0
   25   1   5   1 15.644  31.288   0.175   24.71    8       54.3       60.5
   26   3   2   1 16.183  32.367   0.181   22.97    8       50.8       49.2
   27   4   0   0 16.851  33.701   0.188   21.04    2      256.8      287.6
   28   2   6   0 16.901  33.802   0.189   20.9     4       70.2       42.7
   29   4   1   0 17.032  34.064   0.19    20.56    4        0.6        0.0
   30   3   3   1 17.104  34.209   0.191   20.37    8      171.5      496.6
   31   2   5   1 17.304  34.608   0.193   19.86    8       61.5       62.3
   32   4   2   0 17.566  35.132   0.196   19.22    4      185.3      273.4
   33   1   6   1 17.669  35.338   0.197   18.97    8       84.0      110.9
   34   0   0   2 17.798  35.597   0.198   18.67    2      266.2      274.2
   35   1   0   2 18.309  36.618   0.204   17.55    4       40.1       11.7
   36   3   4   1 18.325  36.65    0.204   17.52    8       30.5       13.5
   37   4   3   0 18.426  36.852   0.205   17.31    4       42.0       12.7
   38   1   1   2 18.478  36.955   0.206   17.2     8        6.5        0.6
   39   0   2   2 18.482  36.963   0.206   17.19    4      171.4      209.4
   40   1   2   2 18.976  37.953   0.211   16.22    8        2.5        0.1
   41   4   0   1 19.129  38.259   0.213   15.93    4       22.5        3.4
   42   2   7   0 19.135  38.271   0.213   15.92    4       64.6       27.5
   43   2   6   1 19.174  38.349   0.213   15.85    8      108.9      155.7
   44   4   1   1 19.292  38.584   0.214   15.64    8        6.7        0.6
   45   0   7   1 19.352  38.703   0.215   15.53    4       59.9       23.1
   46   4   4   0 19.575  39.151   0.217   15.14    4       35.1        7.7
   47   0   8   0 19.634  39.269   0.218   15.04    2      173.3       93.6
   48   2   0   2 19.773  39.545   0.22    14.81    4       22.0        3.0
   49   4   2   1 19.773  39.546   0.22    14.81    8       99.9      122.6
   50   1   3   2 19.784  39.567   0.22    14.79    8       80.8       80.0
   51   3   5   1 19.799  39.598   0.22    14.76    8       39.3       18.9
   52   1   7   1 19.828  39.656   0.22    14.72    8      102.3      127.5
   53   2   1   2 19.931  39.862   0.221   14.55    8       54.0       35.2
   54   2   2   2 20.399  40.799   0.226   13.81    8       80.9       74.9
   55   0   4   2 20.414  40.827   0.226   13.79    4       60.3       20.8
   56   4   3   1 20.554  41.108   0.228   13.58    8       61.5       42.5
   57   1   4   2 20.87   41.74    0.231   13.13    8      116.2      147.0
   58   4   5   0 20.975  41.95    0.232   12.98    4       68.4       25.1
   59   2   3   2 21.161  42.323   0.234   12.73    8       40.9       17.6
   60   2   7   1 21.203  42.407   0.235   12.67    8        3.2        0.1
   61   2   8   0 21.466  42.931   0.238   12.33    4      121.2       75.1
   62   3   6   1 21.484  42.968   0.238   12.3     8      136.1      188.8
   63   4   4   1 21.608  43.217   0.239   12.14    8       26.3        7.0
   64   3   0   2 22.03   44.061   0.243   11.63    4       21.4        2.2
   65   1   8   1 22.098  44.196   0.244   11.55    8        0.1        0.0
   66   3   1   2 22.175  44.351   0.245   11.46    8       53.9       27.6
   67   2   4   2 22.192  44.384   0.245   11.44    8       17.5        2.9
   68   1   5   2 22.202  44.404   0.245   11.42    8       37.8       13.5
   69   4   6   0 22.589  45.177   0.249   10.99    4      191.0      166.1
   70   3   2   2 22.606  45.212   0.25    10.97    8      143.2      186.4
   71   4   5   1 22.906  45.812   0.253   10.65    8       65.5       37.8
   72   5   0   1 23.158  46.315   0.255   10.39    4       58.7       14.8
   73   5   1   1 23.297  46.594   0.257   10.25    8       70.6       42.3
   74   3   3   2 23.309  46.619   0.257   10.23    8       17.1        2.5
   75   0   6   2 23.338  46.677   0.257   10.21    4      168.1      119.6
   76   3   7   1 23.348  46.697   0.257   10.2     8       63.5       34.1
   77   2   8   1 23.364  46.729   0.257   10.18    8      214.2      387.2
   78   2   5   2 23.464  46.928   0.258   10.08    8       15.6        2.0
   79   5   2   1 23.712  47.423   0.261    9.85    8       61.6       31.0
   80   1   6   2 23.749  47.498   0.261    9.81    8       28.9        6.8
   81   2   9   0 23.882  47.764   0.263    9.69    4       70.5       20.0
   82   0   9   1 24.063  48.127   0.265    9.52    4       22.2        1.9
   83   3   4   2 24.268  48.536   0.267    9.34    8       38.4       11.4
   84   4   7   0 24.386  48.773   0.268    9.24    4       26.9        2.8
   85   5   3   1 24.391  48.781   0.268    9.23    8       55.1       23.2
   86   4   6   1 24.419  48.837   0.268    9.21    8       40.1       12.3
   87   1   9   1 24.465  48.93    0.269    9.17    8       25.5        4.9
   88   0  10   0 24.836  49.672   0.273    8.86    2       87.3       14.0
   89   4   0   2 24.914  49.829   0.273    8.8     4      258.6      243.8
   90   2   6   2 24.951  49.902   0.274    8.77    8      115.2       96.4
   91   4   1   2 25.046  50.093   0.275    8.69    8       32.6        7.7
   92   5   4   1 25.318  50.637   0.278    8.48    8       45.5       14.6
   93   3   8   1 25.367  50.733   0.278    8.45    8        6.9        0.3
   94   4   2   2 25.439  50.879   0.279    8.39    8       45.2       14.2
   95   3   5   2 25.46   50.921   0.279    8.37    8        6.1        0.3
   96   1   7   2 25.484  50.969   0.279    8.36    8       16.9        2.0
   97   2   9   1 25.642  51.283   0.281    8.24    8       90.8       56.3
   98   6   0   0 25.774  51.547   0.282    8.14    2       12.0        0.2
   99   6   1   0 25.903  51.805   0.284    8.05    4       26.6        2.4
  100   4   3   2 26.085  52.17    0.285    7.93    8        4.5        0.1
  101   4   7   1 26.121  52.242   0.286    7.9     8        5.1        0.2
  102   6   2   0 26.286  52.573   0.287    7.79    4      142.1       65.2
  103   4   8   0 26.345  52.69    0.288    7.75    4       69.5       15.5
  104   2  10   0 26.38   52.761   0.288    7.72    4       98.2       30.9
  105   5   5   1 26.476  52.952   0.289    7.66    8       84.7       45.6
  106   2   7   2 26.628  53.257   0.291    7.56    8       36.7        8.4
  107   3   6   2 26.865  53.731   0.293    7.41    8       94.1       54.4
  108   6   3   0 26.918  53.835   0.294    7.38    4      103.3       32.6
  109   1  10   1 26.924  53.847   0.294    7.37    8       18.1        2.0
  110   4   4   2 26.97   53.941   0.294    7.35    8      142.8      124.2
  111   0   8   2 27.017  54.033   0.295    7.32    4       82.5       20.7
  112   1   8   2 27.387  54.773   0.299    7.09    8      153.3      138.1
  113   0   1   3 27.414  54.828   0.299    7.08    4       27.6        2.2
  114   6   0   1 27.445  54.89    0.299    7.06    4       90.9       24.2
  115   3   9   1 27.522  55.044   0.3      7.01    8      103.9       62.8
  116   6   1   1 27.568  55.137   0.3      6.99    8       45.4       11.9
  117   1   0   3 27.658  55.316   0.301    6.94    4      102.6       30.2
  118   1   1   3 27.781  55.561   0.303    6.87    8       11.7        0.8
  119   6   4   0 27.785  55.569   0.303    6.86    4       42.0        5.0
  120   5   6   1 27.845  55.69    0.303    6.83    8       39.3        8.7
  121   6   2   1 27.936  55.872   0.304    6.78    8       86.5       42.0
  122   4   8   1 27.993  55.985   0.305    6.75    8       94.3       49.8
  123   2  10   1 28.026  56.053   0.305    6.73    8       89.8       45.0
  124   4   5   2 28.08   56.161   0.306    6.7     8       12.8        0.9
  125   1   2   3 28.147  56.294   0.306    6.67    8       82.5       37.6
  126   5   0   2 28.298  56.596   0.308    6.59    4       44.9        5.5
  127   0   3   3 28.392  56.784   0.309    6.54    4      157.5       67.2
  128   5   1   2 28.419  56.838   0.309    6.52    8        7.7        0.3
  129   4   9   0 28.449  56.897   0.309    6.51    4       75.1       15.2
  130   3   7   2 28.463  56.927   0.309    6.5     8       47.4       12.1
  131   2   8   2 28.477  56.955   0.31     6.49    8       27.0        3.9
  132   6   3   1 28.542  57.085   0.31     6.46    8        8.7        0.4
  133   2   0   3 28.742  57.484   0.312    6.36    4       18.8        0.9
  134   1   3   3 28.75   57.5     0.312    6.35    8       24.2        3.1
  135   5   2   2 28.78   57.559   0.313    6.34    8      140.2      103.3
  136   2   1   3 28.862  57.723   0.313    6.3     8       76.3       30.4
  137   6   5   0 28.874  57.747   0.313    6.29    4       51.9        7.0
  138   2  11   0 28.962  57.924   0.314    6.25    4       11.5        0.3
  139   0  11   1 29.12   58.241   0.316    6.17    4        4.4        0.0
  140   2   2   3 29.219  58.438   0.317    6.13    8       58.2       17.2
  141   5   3   2 29.375  58.749   0.318    6.05    8       52.4       13.8
  142   6   4   1 29.378  58.755   0.318    6.05    8      212.3      226.1
  143   4   6   2 29.399  58.798   0.319    6.04    8       54.2       14.7
  144   5   7   1 29.408  58.815   0.319    6.04    8       74.4       27.7
  145   1   9   2 29.44   58.88    0.319    6.02    8       37.9        7.2
  146   1  11   1 29.473  58.946   0.319    6.01    8       85.1       36.1
  147   1   4   3 29.581  59.163   0.32     5.96    8       53.0       13.9
  148   3  10   1 29.804  59.608   0.323    5.86    8       27.6        3.7
  149   2   3   3 29.808  59.617   0.323    5.86    8       45.3       10.0
  150   4   9   1 30.019  60.038   0.325    5.77    8       51.0       12.4
  151   6   6   0 30.17   60.34    0.326    5.7     4      267.2      168.7
  152   5   4   2 30.195  60.39    0.326    5.69    8       34.4        5.6
  153   3   8   2 30.238  60.476   0.327    5.67    8       34.9        5.7
  154   0  12   0 30.267  60.534   0.327    5.66    2      375.0      164.9
  155   0   5   3 30.285  60.571   0.327    5.65    4      102.6       24.6
  156   6   5   1 30.43   60.86    0.329    5.59    8        0.2        0.0
  157   2   9   2 30.483  60.966   0.329    5.57    8       36.1        6.0
  158   3   0   3 30.493  60.986   0.329    5.57    4      124.9       36.0
  159   2  11   1 30.516  61.031   0.33     5.56    8       11.8        0.6
  160   3   1   3 30.608  61.217   0.331    5.52    8       14.9        1.0
  161   2   4   3 30.622  61.244   0.331    5.52    8      188.1      161.8
  162   1   5   3 30.63   61.26    0.331    5.51    8       49.1       11.0
  163   4  10   0 30.687  61.373   0.331    5.49    4      224.0      114.1
  164   4   7   2 30.912  61.824   0.333    5.4     8       47.4       10.1
  165   3   2   3 30.953  61.907   0.334    5.39    8       74.4       24.7
  166   5   8   1 31.149  62.298   0.336    5.31    8       65.4       18.8
  167   5   5   2 31.231  62.462   0.337    5.28    8       29.7        3.9
  168   0  10   2 31.297  62.594   0.337    5.26    4      192.8       81.0
  169   3   3   3 31.523  63.047   0.339    5.17    8       39.7        6.8
  170   2  12   0 31.631  63.263   0.34     5.13    4       44.0        4.1
  171   1  10   2 31.635  63.27    0.34     5.13    8       50.4       10.8
  172   2   5   3 31.65   63.299   0.341    5.13    8       78.0       25.8
  173   6   7   0 31.661  63.322   0.341    5.12    4       19.1        0.8
  174   6   6   1 31.688  63.376   0.341    5.11    8       96.8       39.7
  175   1   6   3 31.883  63.767   0.343    5.05    8       90.2       34.0
  176   7   0   1 31.993  63.985   0.344    5.01    4       91.1       17.2
  177   7   1   1 32.105  64.21    0.345    4.97    8       46.7        9.0
  178   6   0   2 32.107  64.215   0.345    4.97    4      100.6       20.8
  179   1  12   1 32.117  64.234   0.345    4.97    8        6.2        0.2
  180   3   9   2 32.177  64.354   0.346    4.95    8       24.4        2.4
  181   4  10   1 32.19   64.381   0.346    4.94    8      129.3       68.5
  182   3  11   1 32.209  64.417   0.346    4.94    8       51.4       10.8
  183   6   1   2 32.219  64.439   0.346    4.93    8       68.0       18.9
  184   3   4   3 32.312  64.623   0.347    4.9     8       95.2       36.8
  185   7   2   1 32.441  64.882   0.348    4.86    8        7.8        0.2
  186   5   6   2 32.471  64.943   0.348    4.85    8      110.1       48.7
  187   6   2   2 32.555  65.109   0.349    4.82    8       27.4        3.0
  188   4   8   2 32.606  65.212   0.35     4.81    8      156.1       97.0
  189   2  10   2 32.637  65.274   0.35     4.8     8       47.4        8.9
  190   4   0   3 32.851  65.701   0.352    4.73    4      122.4       29.4
  191   2   6   3 32.881  65.763   0.352    4.72    8      136.6       73.0
  192   4   1   3 32.961  65.923   0.353    4.7     8      114.7       51.2
  193   7   3   1 32.997  65.993   0.354    4.69    8       15.4        0.9
  194   0   7   3 33.002  66.005   0.354    4.68    4       47.2        4.3
  195   4  11   0 33.054  66.108   0.354    4.67    4       12.0        0.3
  196   5   9   1 33.058  66.116   0.354    4.67    8       47.5        8.7
  197   6   3   2 33.109  66.219   0.355    4.65    8        0.0        0.0
  198   2  12   1 33.111  66.223   0.355    4.65    8       91.3       32.1
  199   6   7   1 33.14   66.28    0.355    4.64    8       58.7       13.3
  200   4   2   3 33.293  66.585   0.356    4.6     8       63.1       15.2
  201   3   5   3 33.31   66.621   0.356    4.59    8       32.9        4.1
  202   1   7   3 33.331  66.662   0.357    4.59    8        4.1        0.1
  203   6   8   0 33.334  66.669   0.357    4.59    4       22.6        1.0
  204   7   4   1 33.767  67.533   0.361    4.46    8       48.5        8.7
  205   4   3   3 33.841  67.682   0.361    4.44    8       36.2        4.8
  206   6   4   2 33.878  67.756   0.362    4.43    8      115.6       49.1
  207   5   7   2 33.906  67.812   0.362    4.42    8       10.6        0.4
  208   1  11   2 33.966  67.933   0.363    4.41    8       12.6        0.6
  209   3  10   2 34.273  68.545   0.366    4.33    8       96.5       33.4
  210   2   7   3 34.307  68.614   0.366    4.32    8       70.4       17.7
  211   2  13   0 34.398  68.796   0.367    4.29    4       72.4        9.3
  212   4   9   2 34.472  68.944   0.367    4.28    8        6.4        0.1
  213   4  11   1 34.502  69.005   0.368    4.27    8       60.2       12.8
  214   3   6   3 34.511  69.023   0.368    4.27    8      161.4       92.1
  215   0  13   1 34.542  69.085   0.368    4.26    4      101.6       18.2
  216   4   4   3 34.602  69.204   0.369    4.24    8       34.4        4.2
  217   3  12   1 34.736  69.472   0.37     4.21    8        8.7        0.3
  218   7   5   1 34.744  69.489   0.37     4.21    8       68.3       16.2
  219   6   8   1 34.777  69.553   0.37     4.2     8      150.6       79.0
  220   6   5   2 34.854  69.709   0.371    4.18    8        9.5        0.3
  221   1  13   1 34.864  69.728   0.371    4.18    8       75.7       19.8
  222   2  11   2 34.934  69.868   0.372    4.16    8       11.2        0.4
  223   1   8   3 34.963  69.926   0.372    4.15    8        9.6        0.3
  224   5  10   1 35.127  70.254   0.373    4.11    8       13.2        0.6
  225   6   9   0 35.181  70.363   0.374    4.1     4      141.7       34.1
  226   8   0   0 35.433  70.867   0.376    4.04    2      187.5       29.4
  227   5   8   2 35.525  71.051   0.377    4.02    8       44.3        6.5
  228   8   1   0 35.54   71.081   0.377    4.02    4      111.6       20.8
  229   4  12   0 35.552  71.104   0.377    4.02    4      162.2       43.8
  230   4   5   3 35.569  71.138   0.378    4.01    8       60.4       12.1
  231   5   0   3 35.76   71.521   0.379    3.97    4       65.1        7.0
  232   2  13   1 35.82   71.641   0.38     3.96    8        6.9        0.2
  233   8   2   0 35.86   71.721   0.38     3.95    4        8.1        0.1
  234   5   1   3 35.867  71.734   0.38     3.95    8        8.1        0.2
  235   3   7   3 35.906  71.812   0.381    3.94    8       20.4        1.4
  236   2   8   3 35.918  71.837   0.381    3.94    8      136.7       61.0
  237   7   6   1 35.923  71.845   0.381    3.94    8        0.2        0.0
  238   0  14   0 36.017  72.035   0.382    3.92    2       10.4        0.1
  239   6   6   2 36.031  72.062   0.382    3.91    8       93.6       28.4
  240   0  12   2 36.119  72.239   0.383    3.89    4      146.7       34.7
  241   5   2   3 36.186  72.371   0.383    3.88    8        6.9        0.2
  242   7   0   2 36.318  72.635   0.384    3.85    4       44.3        3.1
  243   8   3   0 36.391  72.782   0.385    3.84    4       69.8        7.8
  244   7   1   2 36.423  72.847   0.385    3.83    8       23.7        1.8
  245   1  12   2 36.435  72.87    0.386    3.83    8       91.7       26.7
  246   0   9   3 36.459  72.917   0.386    3.82    4      155.7       38.4
  247   4  10   2 36.504  73.008   0.386    3.82    8       88.8       24.9
  248   3  11   2 36.521  73.042   0.386    3.81    8       52.0        8.5
  249   6   9   1 36.59   73.181   0.387    3.8     8        6.8        0.1
  250   5   3   3 36.714  73.429   0.388    3.77    8       19.6        1.2
  251   4   6   3 36.736  73.473   0.388    3.77    8       31.6        3.1
  252   7   2   2 36.74   73.481   0.388    3.77    8       40.3        5.1
  253   1   9   3 36.773  73.546   0.389    3.76    8       44.9        6.3
  254   8   0   1 36.839  73.677   0.389    3.75    4      137.9       29.5
  255   8   1   1 36.944  73.888   0.39     3.73    8       56.7        9.9
  256   4  12   1 36.955  73.911   0.39     3.73    8       34.9        3.8
  257   8   4   0 37.129  74.258   0.392    3.7     4      107.1       17.6
  258   6  10   0 37.197  74.394   0.392    3.68    4       84.3       10.8
  259   8   2   1 37.259  74.518   0.393    3.67    8      146.2       65.1
  260   7   3   2 37.266  74.532   0.393    3.67    8       28.5        2.5
  261   2  14   0 37.274  74.549   0.393    3.67    4       78.0        9.2
  262   7   7   1 37.295  74.591   0.393    3.67    8       53.7        8.8
  263   5   9   2 37.324  74.648   0.394    3.66    8        5.7        0.1
  264   5  11   1 37.353  74.707   0.394    3.66    8       59.4       10.7
  265   2  12   2 37.375  74.75    0.394    3.65    8       23.9        1.7
  266   3  13   1 37.392  74.784   0.394    3.65    8       50.3        7.7
  267   6   7   2 37.402  74.805   0.394    3.65    8       46.4        6.5
  268   5   4   3 37.45   74.9     0.395    3.64    8       20.0        1.2
  269   3   8   3 37.489  74.977   0.395    3.63    8       55.3        9.2
  270   0   0   4 37.686  75.372   0.397    3.6     2       52.1        2.0
  271   2   9   3 37.71   75.419   0.397    3.59    8       57.0        9.7
  272   1  14   1 37.725  75.45    0.397    3.59    8       22.1        1.4
  273   8   3   1 37.782  75.564   0.398    3.58    8        4.5        0.1
  274   1   0   4 37.997  75.993   0.4      3.54    4       17.1        0.4
  275   7   4   2 37.998  75.995   0.4      3.54    8       33.5        3.3
  276   8   5   0 38.07   76.14    0.4      3.53    4       90.8       12.1
  277   4   7   3 38.098  76.196   0.401    3.53    8       69.2       14.0
  278   1   1   4 38.101  76.201   0.401    3.53    8       17.1        0.9
  279   0   2   4 38.103  76.206   0.401    3.53    4       59.4        5.2
  280   4  13   0 38.185  76.37    0.401    3.51    4       35.4        1.8
  281   5   5   3 38.388  76.776   0.403    3.48    8        7.7        0.2
  282   1   2   4 38.413  76.825   0.403    3.48    8      179.1       92.5
  283   8   4   1 38.511  77.021   0.404    3.46    8       74.8       16.0
  284   6  10   1 38.578  77.155   0.405    3.45    8       11.4        0.4
  285   2  14   1 38.654  77.308   0.405    3.44    8      180.2       92.6
  286   4  11   2 38.7    77.4     0.406    3.43    8        3.0        0.0
  287   1  10   3 38.757  77.513   0.406    3.43    8       39.9        4.5
  288   7   8   1 38.857  77.714   0.407    3.41    8       49.6        6.9
  289   2   0   4 38.923  77.847   0.408    3.4     4       17.0        0.4
  290   3  12   2 38.924  77.847   0.408    3.4     8       43.8        5.4
  291   1   3   4 38.931  77.861   0.408    3.4     8       35.7        3.6
  292   7   5   2 38.932  77.863   0.408    3.4     8       16.5        0.8
  293   6   8   2 38.963  77.925   0.408    3.39    8       63.5       11.3
  294   2   1   4 39.027  78.053   0.409    3.39    8       65.2       11.9
  295   1  13   2 39.046  78.092   0.409    3.38    8       22.3        1.4
  296   6   0   3 39.19   78.38    0.41     3.36    4       27.7        1.1
  297   8   6   0 39.21   78.42    0.41     3.36    4       19.9        0.6
  298   3   9   3 39.254  78.508   0.411    3.35    8        7.9        0.2
  299   6   1   3 39.293  78.586   0.411    3.35    8       37.2        3.8
  300   5  10   2 39.299  78.597   0.411    3.35    8      118.6       39.0
  301   2   2   4 39.336  78.673   0.411    3.34    8       24.1        1.6
  302   0   4   4 39.346  78.692   0.412    3.34    4        7.2        0.1
  303   6  11   0 39.38   78.759   0.412    3.34    4        3.9        0.0
  304   8   5   1 39.441  78.882   0.412    3.33    8        2.7        0.0
  305   5   6   3 39.525  79.051   0.413    3.32    8       64.0       11.3
  306   4  13   1 39.555  79.11    0.413    3.31    8       38.3        4.0
  307   6   2   3 39.602  79.204   0.414    3.31    8       76.1       15.9
  308   4   8   3 39.65   79.299   0.414    3.3     8       40.9        4.6
  309   1   4   4 39.652  79.305   0.414    3.3     8        4.7        0.1
  310   2  10   3 39.678  79.356   0.414    3.3     8        3.6        0.0
  311   5  12   1 39.739  79.479   0.415    3.29    8        3.1        0.0
  312   2   3   4 39.851  79.702   0.416    3.27    8       19.8        1.1
  313   2  13   2 39.966  79.932   0.417    3.26    8       56.5        8.6
  314   7   6   2 40.064  80.129   0.418    3.25    8       10.0        0.3
  315   6   3   3 40.116  80.232   0.418    3.24    8      128.0       44.0
  316   3  14   1 40.188  80.376   0.419    3.23    8        9.0        0.2
  317   2  15   0 40.278  80.555   0.42     3.22    4        8.5        0.1
  318   0  15   1 40.414  80.828   0.421    3.2     4        6.0        0.0
  319   3   0   4 40.454  80.909   0.421    3.2     4      148.2       29.1
  320   8   7   0 40.545  81.091   0.422    3.19    4       83.0        9.1
  321   3   1   4 40.557  81.113   0.422    3.19    8        1.2        0.0
  322   2   4   4 40.568  81.137   0.422    3.19    8       10.3        0.3
  323   8   6   1 40.57   81.14    0.422    3.19    8        2.2        0.0
  324   1   5   4 40.576  81.151   0.422    3.19    8        5.5        0.1
  325   7   9   1 40.605  81.211   0.422    3.18    8       35.0        3.2
  326   0  11   3 40.611  81.221   0.423    3.18    4       68.8        6.2
  327   6   9   2 40.71   81.419   0.423    3.17    8       16.7        0.7
  328   1  15   1 40.719  81.437   0.423    3.17    8       22.7        1.4
  329   6  11   1 40.738  81.476   0.424    3.17    8       10.1        0.3
  330   6   4   3 40.832  81.665   0.424    3.16    8       71.7       13.5
  331   5   7   3 40.858  81.716   0.425    3.15    8        4.1        0.0
  332   3   2   4 40.863  81.727   0.425    3.15    8       33.1        2.9
  333   1  11   3 40.915  81.83    0.425    3.15    8       10.9        0.3
  334   8   0   2 40.95   81.9     0.425    3.14    4       77.2        7.8
  335   4  14   0 40.965  81.93    0.426    3.14    4       97.8       12.4
  336   8   1   2 41.052  82.104   0.426    3.13    8        6.6        0.1
  337   4  12   2 41.063  82.126   0.426    3.13    8      185.8       89.6
  338   3  10   3 41.202  82.404   0.428    3.12    8       46.6        5.6
  339   8   2   2 41.358  82.716   0.429    3.1     8       82.2       17.4
  340   3   3   4 41.373  82.747   0.429    3.1     8       34.1        3.0
  341   4   9   3 41.389  82.779   0.429    3.1     8       20.8        1.1
  342   7   7   2 41.393  82.787   0.429    3.1     8       44.3        5.0
  343   0   6   4 41.395  82.789   0.429    3.1     4       49.8        3.2
  344   5  11   2 41.45   82.9     0.43     3.09    8       30.5        2.4
  345   2   5   4 41.487  82.974   0.43     3.09    8        6.2        0.1
  346   3  13   2 41.487  82.975   0.43     3.09    8       36.6        3.4
  347   0  14   2 41.509  83.017   0.43     3.09    4       64.5        5.3
  348   2  15   1 41.629  83.259   0.431    3.07    8       54.0        7.4
  349   1   6   4 41.698  83.395   0.432    3.07    8       82.5       17.3
  350   6  12   0 41.733  83.467   0.432    3.06    4        0.3        0.0
  351   6   5   3 41.75   83.499   0.432    3.06    8       24.6        1.5
  352   1  14   2 41.812  83.623   0.433    3.06    8       35.3        3.2
  353   2  11   3 41.825  83.65    0.433    3.05    8       42.8        4.6
  354   8   3   2 41.867  83.734   0.433    3.05    8       62.3        9.8
  355   8   7   1 41.895  83.791   0.433    3.05    8       33.8        2.9
  356   9   0   1 42.059  84.118   0.435    3.03    4       79.9        8.0
  357   8   8   0 42.074  84.149   0.435    3.03    4      130.8       21.5
  358   3   4   4 42.086  84.171   0.435    3.03    8       64.6       10.5
  359   9   1   1 42.16   84.321   0.436    3.02    8       34.6        3.0
  360   0  16   0 42.224  84.449   0.436    3.02    2      120.1        9.0
  361   5  13   1 42.292  84.584   0.437    3.01    8       43.7        4.8
  362   4  14   1 42.313  84.626   0.437    3.01    8       72.9       13.2
  363   5   8   3 42.385  84.77    0.438    3.0     8       19.1        0.9
  364   9   2   1 42.465  84.93    0.438    3.0     8       35.1        3.1
  365   7  10   1 42.54   85.08    0.439    2.99    8       14.2        0.5
  366   4   0   4 42.577  85.154   0.439    2.99    4      131.6       21.4
  367   8   4   2 42.578  85.156   0.439    2.99    8       23.6        1.4
  368   2   6   4 42.605  85.21    0.439    2.99    8       16.3        0.7
  369   6  10   2 42.644  85.287   0.44     2.98    8        2.2        0.0
  370   4   1   4 42.678  85.357   0.44     2.98    8       20.1        1.0
  371   2  14   2 42.718  85.437   0.44     2.98    8       58.0        8.3
  372   6   6   3 42.867  85.733   0.442    2.96    8      108.9       29.1
  373   7   8   2 42.917  85.835   0.442    2.96    8       33.9        2.8
  374   9   3   1 42.972  85.944   0.442    2.96    8       27.5        1.9
  375   4   2   4 42.982  85.965   0.443    2.96    8       60.7        9.0
  376   3   5   4 42.999  85.997   0.443    2.95    8       12.1        0.4
  377   1   7   4 43.017  86.035   0.443    2.95    8       31.6        2.4
  378   6  12   1 43.077  86.155   0.443    2.95    8       51.4        6.5
  379   7   0   3 43.14   86.28    0.444    2.94    4       98.0       11.7
  380   3  15   1 43.14   86.281   0.444    2.94    8       80.9       16.0
  381   7   1   3 43.241  86.483   0.445    2.94    8       28.4        2.0
  382   1  12   3 43.252  86.505   0.445    2.94    8       64.8       10.2
  383   4  10   3 43.319  86.637   0.445    2.93    8       41.5        4.2
  384   3  11   3 43.335  86.67    0.445    2.93    8        7.0        0.1
  385   8   8   1 43.417  86.834   0.446    2.92    8      101.6       25.0
  386   2  16   0 43.432  86.863   0.446    2.92    4       85.2        8.8
  387   4   3   4 43.489  86.977   0.447    2.92    8       37.2        3.4
  388   8   5   2 43.49   86.98    0.447    2.92    8        6.3        0.1
  389   7   2   3 43.545  87.09    0.447    2.91    8       71.2       12.2
  390   4  13   2 43.602  87.204   0.448    2.91    8       47.3        5.4
  391   9   4   1 43.681  87.362   0.448    2.91    8       32.5        2.5
  392   5  12   2 43.783  87.567   0.449    2.9     8       25.6        1.6
  393   8   9   0 43.797  87.595   0.449    2.9     4       31.0        1.2
  394   1  16   1 43.868  87.735   0.45     2.89    8       15.7        0.6
  395   4  15   0 43.91   87.819   0.45     2.89    4       51.1        3.1
  396   2   7   4 43.922  87.843   0.45     2.89    8       47.1        5.3
  397   7   3   3 44.051  88.102   0.451    2.88    8       29.8        2.1
  398   5   9   3 44.107  88.214   0.452    2.88    8       20.5        1.0
  399   3   6   4 44.112  88.224   0.452    2.88    8       63.2        9.5
  400   2  12   3 44.156  88.312   0.452    2.87    8       17.9        0.8
  401   6   7   3 44.183  88.365   0.452    2.87    8        6.6        0.1
  402   4   4   4 44.197  88.394   0.453    2.87    8       31.8        2.4
  403   3  14   2 44.225  88.451   0.453    2.87    8       60.3        8.6
  404   0   8   4 44.234  88.469   0.453    2.87    4       69.7        5.8
  405   6  13   0 44.267  88.535   0.453    2.87    4       29.9        1.1
  406   1   8   4 44.535  89.07    0.455    2.85    8       30.9        2.3
  407   9   5   1 44.591  89.182   0.456    2.85    8       52.4        6.5
  408   8   6   2 44.602  89.205   0.456    2.85    8       67.9       10.9
  409   7   9   2 44.637  89.275   0.456    2.85    8        6.0        0.1
  410   7  11   1 44.666  89.331   0.456    2.85    8       28.0        1.8
  411   1  15   2 44.749  89.499   0.457    2.84    8       33.6        2.7
  412   7   4   3 44.759  89.518   0.457    2.84    8       48.2        5.5
  413   6  11   2 44.769  89.538   0.457    2.84    8       25.0        1.5
  414   2  16   1 44.771  89.541   0.457    2.84    8      183.0       78.8


  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   2   0   4.819   9.638  9.1695      1028.1     58.1     59.0     5.6
    2   2   0   0   8.334  16.668  5.3145       281.9     15.9     16.1     5.6
    3   2   1   0   8.679  17.358  5.10448      402.2     22.7     23.0     5.6
    4   0   1   1   9.12   18.24   4.85981      499.4     28.2     28.5     5.6
    5   2   2   0   9.644  19.288  4.59804      154.1      8.7      8.8     5.6
    6   0   4   0   9.672  19.344  4.58475      684.4     38.7     39.0     5.6
    7   1   0   1   9.738  19.476  4.55398       35.6      2.0      2.0     5.6
    8   1   1   1  10.037  20.074  4.41974      634.1     35.8     36.1     5.6
    9   1   2   1  10.886  21.772  4.07866       82.0      4.6      4.7     5.6
   10   2   3   0  11.073  22.145  4.01073      348.2     19.7     19.8     5.6
   11   0   3   1  11.425  22.849  3.88873      201.3     11.4     11.5     5.6
   12   1   3   1  12.176  24.353  3.65199      175.4      9.9     10.0     5.6
   13   2   4   0  12.82   25.64   3.47147      503.6     28.5     28.6     5.6
   14   2   2   1  13.107  26.213  3.39683      694.6     39.2     39.4     5.6
   15   2   3   1  14.208  28.416  3.1383       155.8      8.8      8.8     5.6
   16   2   5   0  14.784  29.567  3.01868       65.5      3.7      3.7     5.6
   17   0   5   1  15.054  30.109  2.96563      134.9      7.6      7.6     5.6
   18   2   4   1  15.63   31.261  2.85892     1769.8    100.0    100.0     5.6
   19   3   2   1  16.183  32.367  2.76369       49.2      2.8      2.8     5.6
   20   4   0   0  16.851  33.701  2.65725      287.6     16.3     16.2     5.7
   21   2   6   0  16.901  33.802  2.64956       42.7      2.4      2.4     5.7
   22   3   3   1  17.104  34.209  2.61899      496.6     28.1     28.0     5.7
   23   2   5   1  17.304  34.608  2.5897        62.3      3.5      3.5     5.7
   24   4   2   0  17.566  35.132  2.55224      273.4     15.4     15.4     5.7
   25   1   6   1  17.669  35.338  2.53787      110.9      6.3      6.2     5.7
   26   0   0   2  17.798  35.597  2.52         274.2     15.5     15.4     5.7
   27   3   4   1  18.325  36.65   2.44995       25.2      1.4      1.4     5.7
   28   0   2   2  18.482  36.963  2.42991      209.4     11.8     11.8     5.7
   29   2   7   0  19.135  38.271  2.34985       30.9      1.7      1.7     5.7
   30   2   6   1  19.174  38.349  2.34523      155.7      8.8      8.7     5.7
   31   0   7   1  19.352  38.703  2.32456       23.1      1.3      1.3     5.7
   32   0   8   0  19.634  39.269  2.29238       93.6      5.3      5.3     5.7
   33   3   5   1  19.799  39.598  2.27411      224.5     12.7     12.6     5.7
   34   1   7   1  19.828  39.656  2.27089      127.5      7.2      7.2     5.7
   35   2   1   2  19.931  39.862  2.25964       35.2      2.0      2.0     5.7
   36   2   2   2  20.399  40.799  2.20987       95.7      5.4      5.4     5.7
   37   4   3   1  20.554  41.108  2.19396       42.5      2.4      2.4     5.7
   38   1   4   2  20.87   41.74   2.16222      147.0      8.3      8.2     5.7
   39   4   5   0  20.975  41.95   2.15187       25.1      1.4      1.4     5.7
   40   3   6   1  21.484  42.968  2.10318      263.9     14.9     14.7     5.7
   41   3   1   2  22.175  44.351  2.04079       44.0      2.5      2.5     5.7
   42   3   2   2  22.606  45.212  2.0039       352.6     19.9     19.7     5.7
   43   4   5   1  22.906  45.812  1.97903       37.8      2.1      2.1     5.7
   44   5   1   1  23.297  46.594  1.94762       44.8      2.5      2.5     5.7
   45   2   8   1  23.364  46.729  1.94232      540.8     30.6     30.1     5.7
   46   5   2   1  23.712  47.423  1.91548       31.0      1.8      1.7     5.7
   47   2   9   0  23.882  47.764  1.90261       20.0      1.1      1.1     5.7
   48   5   3   1  24.391  48.781  1.86529       38.3      2.2      2.1     5.7
   49   4   0   2  24.914  49.829  1.82851      243.8     13.8     13.5     5.7
   50   2   6   2  24.951  49.902  1.82599       96.4      5.4      5.3     5.7
   51   2   9   1  25.642  51.283  1.78          56.3      3.2      3.1     5.8
   52   6   2   0  26.286  52.573  1.73934       65.2      3.7      3.6     5.8
   53   2  10   0  26.38   52.761  1.73359       30.9      1.7      1.7     5.8
   54   5   5   1  26.476  52.952  1.72777       45.6      2.6      2.5     5.8
   55   3   6   2  26.865  53.731  1.70455       54.4      3.1      3.0     5.8
   56   6   3   0  26.918  53.835  1.70149       34.6      2.0      1.9     5.8
   57   4   4   2  26.97   53.941  1.69841      124.2      7.0      6.9     5.8
   58   0   8   2  27.017  54.033  1.69573       20.7      1.2      1.1     5.8
   59   1   8   2  27.387  54.773  1.67455      140.4      7.9      7.7     5.8
   60   6   0   1  27.445  54.89   1.67127       24.2      1.4      1.3     5.8
   61   3   9   1  27.522  55.044  1.66696       62.8      3.5      3.5     5.8
   62   1   0   3  27.658  55.316  1.6594        30.2      1.7      1.7     5.8
   63   6   2   1  27.936  55.872  1.64418       42.0      2.4      2.3     5.8
   64   4   8   1  27.993  55.985  1.64114       49.8      2.8      2.7     5.8
   65   2  10   1  28.026  56.053  1.63932       45.0      2.5      2.5     5.8
   66   1   2   3  28.147  56.294  1.63288       37.6      2.1      2.1     5.8
   67   0   3   3  28.392  56.784  1.61994       67.5      3.8      3.7     5.8
   68   4   9   0  28.449  56.897  1.61698       31.3      1.8      1.7     5.8
   69   5   2   2  28.78   57.559  1.59995      103.3      5.8      5.7     5.8
   70   2   1   3  28.862  57.723  1.59579       37.4      2.1      2.1     5.8
   71   4   6   2  29.399  58.798  1.56915      282.3     16.0     15.5     5.8
   72   1  11   1  29.473  58.946  1.56557       36.1      2.0      2.0     5.8
   73   6   6   0  30.17   60.34   1.53268      174.3      9.8      9.5     5.8
   74   0  12   0  30.267  60.534  1.52825      195.3     11.0     10.7     5.8
   75   3   0   3  30.493  60.986  1.51799       42.0      2.4      2.3     5.8
   76   1   5   3  30.63   61.26   1.51187      173.8      9.8      9.5     5.8
   77   4  10   0  30.687  61.373  1.50934      114.1      6.4      6.2     5.8
   78   3   2   3  30.953  61.907  1.49761       24.7      1.4      1.3     5.8
   79   5   8   1  31.149  62.298  1.48914       18.8      1.1      1.0     5.8
   80   0  10   2  31.297  62.594  1.48281       81.0      4.6      4.4     5.8
   81   2   5   3  31.65   63.299  1.46797       40.8      2.3      2.2     5.9
   82   6   6   1  31.688  63.376  1.46637       39.7      2.2      2.2     5.9
   83   1   6   3  31.883  63.767  1.45834       34.0      1.9      1.8     5.9
   84   6   0   2  32.107  64.215  1.44924       30.0      1.7      1.6     5.9
   85   4  10   1  32.19   64.381  1.4459       100.6      5.7      5.5     5.9
   86   3   4   3  32.312  64.623  1.44106       36.8      2.1      2.0     5.9
   87   5   6   2  32.471  64.943  1.43474       48.7      2.8      2.6     5.9
   88   4   8   2  32.606  65.212  1.42946       97.0      5.5      5.3     5.9
   89   4   0   3  32.851  65.701  1.42          29.4      1.7      1.6     5.9
   90   2   6   3  32.881  65.763  1.41882       73.0      4.1      4.0     5.9
   91   4   1   3  32.961  65.923  1.41576       51.2      2.9      2.8     5.9
   92   2  12   1  33.111  66.223  1.41008       45.4      2.6      2.5     5.9
   93   4   2   3  33.293  66.585  1.40328       19.3      1.1      1.0     5.9
   94   6   4   2  33.878  67.756  1.38185       49.5      2.8      2.7     5.9
   95   3  10   2  34.273  68.545  1.36785       33.4      1.9      1.8     5.9
   96   2   7   3  34.307  68.614  1.36665       17.7      1.0      1.0     5.9
   97   3   6   3  34.511  69.023  1.35955      104.9      5.9      5.7     5.9
   98   0  13   1  34.542  69.085  1.35848       18.2      1.0      1.0     5.9
   99   6   8   1  34.777  69.553  1.35047       79.0      4.5      4.3     5.9
  100   1  13   1  34.864  69.728  1.34752       19.8      1.1      1.1     5.9
  101   6   9   0  35.181  70.363  1.33691       34.1      1.9      1.8     5.9
  102   8   0   0  35.433  70.867  1.32862       29.4      1.7      1.6     5.9
  103   4  12   0  35.552  71.104  1.32478       83.2      4.7      4.5     5.9
  104   2   8   3  35.918  71.837  1.31305       62.4      3.5      3.3     5.9
  105   6   6   2  36.031  72.062  1.3095        28.4      1.6      1.5     5.9
  106   0  12   2  36.119  72.239  1.30673       34.7      2.0      1.9     5.9
  107   0   9   3  36.459  72.917  1.29624       66.9      3.8      3.6     6.0
  108   4  10   2  36.504  73.008  1.29485       33.5      1.9      1.8     6.0
  109   8   0   1  36.839  73.677  1.28473       29.5      1.7      1.6     6.0
  110   8   2   1  37.259  74.518  1.27231       76.8      4.3      4.1     6.0
  111   4   7   3  38.098  76.196  1.24841       31.2      1.8      1.7     6.0
  112   1   2   4  38.413  76.825  1.23975       92.5      5.2      4.9     6.0
  113   2  14   1  38.654  77.308  1.2332        92.6      5.2      4.9     6.0
  114   5  10   2  39.299  78.597  1.21618       42.8      2.4      2.3     6.0
  115   6   3   3  40.116  80.232  1.19547       44.0      2.5      2.3     6.0
  116   3   0   4  40.454  80.909  1.18716       29.1      1.6      1.5     6.1
  117   4  14   0  40.965  81.93   1.17492       20.2      1.1      1.1     6.1
  118   4  12   2  41.063  82.126  1.17262       89.6      5.1      4.7     6.1
  119   8   2   2  41.358  82.716  1.16574       20.4      1.1      1.1     6.1
  120   3   4   4  42.086  84.171  1.14926       40.0      2.3      2.1     6.1
  121   4  14   1  42.313  84.626  1.14424       18.0      1.0      0.9     6.1
  122   4   0   4  42.577  85.154  1.13849       23.5      1.3      1.2     6.1
  123   6   6   3  42.867  85.733  1.13228       29.1      1.6      1.5     6.1
  124   3  15   1  43.14   86.281  1.12649       27.7      1.6      1.4     6.1
  125   8   8   1  43.417  86.834  1.12073       33.8      1.9      1.8     6.1
  126   2  16   1  44.771  89.541  1.09373       88.4      5.0      4.6     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)