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

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

1, syn, f-monetite

[NH(4)](2)HPO(4)


Monoclinic  P 2(1)/c  Z = 4

P2(1)/c

21 .1 .1908

Ref.Str.:

         Khan A.A., Roux J.P., James W.J. (1972)

         Acta Cryst., B28, 2065-2069

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  11.043    alpha =   90.0 
             b =   6.7      beta  =  113.42
             c =   8.031    gamma =   90.0 

    Unit cell volume (cub. angs.) =   545.25

    Molar volume ( cub.cm/mol.) =    82.11

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

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

   1 0.4517  0.119   0.1608   0.0    NH(4) = 1.00
   2 0.1217  0.3857  0.262    0.0    NH(4) = 1.00
   3 0.179   0.876   0.137    0.0    H     = 1.00
   4 0.513   0.16    0.115    0.0    H     = 1.00
   5 0.418   0.0     0.115    0.0    H     = 1.00
   6 0.496   0.121   0.285    0.0    H     = 1.00
   7 0.392   0.205   0.127    0.0    H     = 1.00
   8 0.17    0.405   0.186    0.0    H     = 1.00
   9 0.125   0.498   0.315    0.0    H     = 1.00
  10 0.161   0.292   0.348    0.0    H     = 1.00
  11 0.043   0.351   0.197    0.0    H     = 1.00
  12 0.2491  0.8911  0.4304   0.0    P     = 1.00
  13 0.2039  0.9678  0.2277   0.0    O     = 1.00
  14 0.2644  0.0823  0.5394   0.0    O     = 1.00
  15 0.3767  0.7735  0.4845   0.0    O     = 1.00
  16 0.1389  0.7602  0.4409   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.4517     0.119      0.1608
     2       2     0.1217     0.3857     0.262 
     3       3     0.179      0.876      0.137 
     4       4     0.513      0.16       0.115 
     5       5     0.418      0.0        0.115 
     6       6     0.496      0.121      0.285 
     7       7     0.392      0.205      0.127 
     8       8     0.17       0.405      0.186 
     9       9     0.125      0.498      0.315 
    10      10     0.161      0.292      0.348 
    11      11     0.043      0.351      0.197 
    12      12     0.2491     0.8911     0.4304
    13      13     0.2039     0.9678     0.2277
    14      14     0.2644     0.0823     0.5394
    15      15     0.3767     0.7735     0.4845
    16      16     0.1389     0.7602     0.4409
    17       1     0.5483     0.619      0.3392
    18       2     0.8783     0.8857     0.238 
    19       3     0.821      0.376      0.363 
    20       4     0.487      0.66       0.385 
    21       5     0.582      0.5        0.385 
    22       6     0.504      0.621      0.215 
    23       7     0.608      0.705      0.373 
    24       8     0.83       0.905      0.314 
    25       9     0.875      0.998      0.185 
    26      10     0.839      0.792      0.152 
    27      11     0.957      0.851      0.303 
    28      12     0.7509     0.3911     0.0696
    29      13     0.7961     0.4678     0.2723
    30      14     0.7356     0.5823     0.9606
    31      15     0.6233     0.2735     0.0155
    32      16     0.8611     0.2602     0.0591
    33       1     0.4517     0.381      0.6608
    34       2     0.1217     0.1143     0.762 
    35       3     0.179      0.624      0.637 
    36       4     0.513      0.34       0.615 
    37       5     0.418      0.5        0.615 
    38       6     0.496      0.379      0.785 
    39       7     0.392      0.295      0.627 
    40       8     0.17       0.095      0.686 
    41       9     0.125      0.002      0.815 
    42      10     0.161      0.208      0.848 
    43      11     0.043      0.149      0.697 
    44      12     0.2491     0.6089     0.9304
    45      13     0.2039     0.5322     0.7277
    46      14     0.2644     0.4177     0.0394
    47      15     0.3767     0.7265     0.9845
    48      16     0.1389     0.7398     0.9409
    49       1     0.5483     0.881      0.8392
    50       2     0.8783     0.6143     0.738 
    51       3     0.821      0.124      0.863 
    52       4     0.487      0.84       0.885 
    53       5     0.582      0.0        0.885 
    54       6     0.504      0.879      0.715 
    55       7     0.608      0.795      0.873 
    56       8     0.83       0.595      0.814 
    57       9     0.875      0.502      0.685 
    58      10     0.839      0.708      0.652 
    59      11     0.957      0.649      0.803 
    60      12     0.7509     0.1089     0.5696
    61      13     0.7961     0.0322     0.7723
    62      14     0.7356     0.9177     0.4606
    63      15     0.6233     0.2265     0.5155
    64      16     0.8611     0.2398     0.5591


X-ray density (g/cm cub.)   =      1.71

MU (1/cm) =      40.256    Mass attenuation coefficient (cm**2/g) =     23.591

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

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

    1    NH(4)               3.192        5
                                                 3.1578      13
                                                 2.7896      15
                                                 2.7624      14
                                                 2.9452      15
                                                 2.8166      15
    2    NH(4)               3.192        5
                                                 2.9897      13
                                                 2.9644      14
                                                 2.8599      16
                                                 2.8136      16
                                                 2.8222      14
    3    H                   1.632        1
                                                 0.9084      13
    4    H                   1.632        0
    5    H                   1.632        0
    6    H                   1.632        0
    7    H                   1.632        0
    8    H                   1.632        0
    9    H                   1.632        0
   10    H                   1.632        0
   11    H                   1.632        0
   12    P                   2.232        4
                                                 1.5868      13
                                                 1.5225      14
                                                 1.5191      15
                                                 1.5295      16
   13    O                   3.264        4
                                                 2.4437      14
                                                 2.5418      15
                                                 2.5216      16
                                                 2.6153      16
   14    O                   3.264        3
                                                 2.4437      13
                                                 2.5392      15
                                                 2.5164      16
   15    O                   3.264        3
                                                 2.5418      13
                                                 2.5392      14
                                                 2.5091      16
   16    O                   3.264        4
                                                 2.5216      13
                                                 2.5164      14
                                                 2.5091      15
                                                 2.6153      13

  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   1   0   0  4.36    8.719   0.049  343.14    2        4.2        4.0
    2   1   1   0  7.922  15.844   0.089  102.34    4       47.3      307.8
    3   2   0   0  8.745  17.489   0.099   83.59    2       83.3      390.6
    4   1   1  -1  8.838  17.676   0.1     81.79    4       22.6       56.4
    5   0   1   1  8.939  17.878   0.101   79.91    4       47.4      241.7
    6   2   1  -1 10.724  21.448   0.121   54.86    4       47.5      166.6
    7   1   1   1 10.974  21.948   0.124   52.29    4       32.8       75.8
    8   2   1   0 10.988  21.976   0.124   52.15    4        1.8        0.2
    9   1   0  -2 11.067  22.134   0.125   51.38    2       54.8      103.7
   10   2   0  -2 11.762  23.523   0.132   45.25    2       79.4      191.8
   11   0   0   2 12.067  24.133   0.136   42.89    2       33.7       32.7
   12   1   1  -2 12.93   25.859   0.145   37.09    4       38.5       74.0
   13   3   0   0 13.182  26.364   0.148   35.6     2       59.4       84.5
   14   0   2   0 13.293  26.586   0.149   34.98    2        0.6        0.0
   15   2   1  -2 13.534  27.068   0.152   33.67    4        9.2        3.9
   16   0   1   2 13.803  27.605   0.155   32.3     4       63.0      172.4
   17   3   1  -1 13.837  27.674   0.155   32.13    4       45.7       90.4
   18   3   0  -2 13.912  27.825   0.156   31.76    2       73.5      115.4
   19   1   2   0 14.015  28.03    0.157   31.27    4        8.1        2.8
   20   2   1   1 14.165  28.331   0.159   30.56    4       73.7      223.6
   21   1   0   2 14.432  28.863   0.162   29.38    2        2.4        0.1
   22   1   2  -1 14.567  29.134   0.163   28.8     4       73.3      208.2
   23   0   2   1 14.63   29.26    0.164   28.53    4       41.8       67.0
   24   3   1   0 14.796  29.593   0.166   27.85    4       15.1        8.6
   25   3   1  -2 15.457  30.913   0.173   25.36    4       26.0       23.1
   26   2   2  -1 15.815  31.631   0.177   24.14    4       57.5      107.2
   27   1   1   2 15.93   31.86    0.178   23.76    4       55.8       99.6
   28   1   2   1 15.991  31.981   0.179   23.57    4       13.8        6.0
   29   2   2   0 16.001  32.002   0.179   23.54    4       34.9       38.7
   30   4   0  -2 17.015  34.03    0.19    20.6     2        0.0        0.0
   31   1   2  -2 17.429  34.859   0.194   19.55    4       16.5        7.1
   32   4   1  -1 17.59   35.181   0.196   19.16    4       79.2      161.7
   33   2   0   2 17.665  35.329   0.197   18.98    2       15.0        2.9
   34   4   0   0 17.702  35.403   0.197   18.9     2       14.2        2.5
   35   2   2  -2 17.895  35.791   0.199   18.45    4       15.4        5.9
   36   3   1   1 17.961  35.923   0.2     18.3     4       10.0        2.5
   37   0   2   2 18.105  36.21    0.202   17.99    4       45.9       50.9
   38   2   1  -3 18.124  36.247   0.202   17.95    4       24.8       14.9
   39   3   2  -1 18.132  36.264   0.202   17.93    4       12.3        3.7
   40   1   1  -3 18.279  36.559   0.204   17.61    4       25.1       15.0
   41   4   1  -2 18.324  36.648   0.204   17.52    4        2.3        0.1
   42   2   2   1 18.391  36.782   0.205   17.38    4       38.8       35.1
   43   3   2   0 18.896  37.791   0.21    16.37    4       11.5        2.9
   44   2   1   2 18.935  37.87    0.211   16.3     4       18.4        7.5
   45   4   1   0 18.97   37.94    0.211   16.23    4        6.4        0.9
   46   3   1  -3 19.066  38.132   0.212   16.05    4       21.8       10.3
   47   3   2  -2 19.432  38.864   0.216   15.39    4       28.3       16.6
   48   0   1   3 19.511  39.022   0.217   15.25    4       52.2       55.9
   49   1   2   2 19.821  39.643   0.22    14.73    4       22.2        9.8
   50   1   3   0 20.682  41.364   0.229   13.4     4       14.6        3.9
   51   5   0  -2 20.705  41.409   0.229   13.36    2        9.5        0.8
   52   4   1  -3 20.981  41.962   0.232   12.97    4        8.7        1.3
   53   1   3  -1 21.078  42.157   0.233   12.84    4       12.3        2.6
   54   0   3   1 21.124  42.249   0.234   12.78    4       24.1       10.0
   55   4   2  -1 21.218  42.436   0.235   12.65    4       15.4        4.0
   56   3   0   2 21.439  42.879   0.237   12.36    2       18.7        2.9
   57   3   2   1 21.536  43.071   0.238   12.24    4        3.1        0.2
   58   1   1   3 21.663  43.327   0.24    12.07    4        2.7        0.1
   59   2   2  -3 21.675  43.35    0.24    12.06    4       38.2       23.7
   60   5   1  -1 21.726  43.451   0.24    12.0     4       37.2       22.4
   61   1   2  -3 21.809  43.619   0.241   11.89    4       12.3        2.4
   62   5   1  -2 21.825  43.65    0.241   11.87    4       24.5        9.6
   63   4   2  -2 21.848  43.696   0.242   11.85    4       30.0       14.3
   64   2   3  -1 22.003  44.005   0.243   11.66    4        0.9        0.0
   65   4   1   1 22.126  44.252   0.244   11.51    4        7.1        0.8
   66   1   3   1 22.135  44.271   0.245   11.5     4        6.7        0.7
   67   2   3   0 22.143  44.286   0.245   11.49    4        1.9        0.1
   68   5   0   0 22.338  44.677   0.247   11.27    2        8.9        0.6
   69   2   2   2 22.378  44.757   0.247   11.22    4        7.6        0.9
   70   4   2   0 22.409  44.818   0.247   11.19    4       58.2       51.0
   71   3   2  -3 22.493  44.986   0.248   11.09    4        6.5        0.6
   72   3   1   2 22.53   45.061   0.249   11.05    4       37.5       20.9
   73   2   0  -4 22.576  45.153   0.249   11.0     2       34.0        8.6
   74   3   0  -4 22.868  45.736   0.252   10.69    2        9.2        0.6
   75   0   2   3 22.882  45.765   0.252   10.67    4       27.1       10.6
   76   1   0  -4 23.21   46.42    0.256   10.33    2       38.0       10.0
   77   1   3  -2 23.249  46.497   0.256   10.3     4       33.2       15.3
   78   5   1   0 23.396  46.792   0.258   10.15    4       17.1        4.0
   79   2   3  -2 23.618  47.236   0.26     9.93    4       11.2        1.7
   80   2   1  -4 23.626  47.251   0.26     9.93    4       69.6       64.6
   81   5   1  -3 23.677  47.353   0.261    9.88    4        6.9        0.6
   82   0   3   2 23.785  47.57    0.262    9.78    4       24.4        7.9
   83   3   3  -1 23.807  47.614   0.262    9.76    4        2.8        0.1
   84   3   1  -4 23.907  47.815   0.263    9.66    4        8.7        1.0
   85   2   3   1 24.015  48.03    0.264    9.57    4       40.8       21.4
   86   4   0  -4 24.059  48.118   0.265    9.53    2        9.1        0.5
   87   4   2  -3 24.186  48.373   0.266    9.41    4       57.7       42.2
   88   1   1  -4 24.238  48.477   0.266    9.37    4       17.4        3.8
   89   3   3   0 24.423  48.847   0.268    9.21    4       60.8       45.8
   90   2   1   3 24.544  49.089   0.27     9.1     4       13.1        2.1
   91   0   0   4 24.715  49.429   0.271    8.96    2       35.8        7.7
   92   1   2   3 24.799  49.598   0.272    8.89    4       11.3        1.5
   93   6   0  -2 24.799  49.598   0.272    8.89    2       33.1        6.5
   94   5   2  -1 24.855  49.71    0.273    8.85    4       19.7        4.6
   95   3   3  -2 24.862  49.724   0.273    8.84    4        1.7        0.0
   96   5   2  -2 24.945  49.889   0.274    8.77    4       38.0       17.0
   97   4   1  -4 25.061  50.121   0.275    8.68    4       10.2        1.2
   98   1   3   2 25.184  50.367   0.276    8.59    4        0.7        0.0
   99   4   2   1 25.217  50.433   0.277    8.56    4       12.1        1.7
  100   3   2   2 25.583  51.167   0.28     8.28    4        9.2        1.0
  101   4   0   2 25.599  51.198   0.28     8.27    2       23.8        3.1
  102   0   1   4 25.697  51.395   0.281    8.2     4       51.6       29.4
  103   6   1  -2 25.779  51.559   0.282    8.14    4       24.8        6.7
  104   5   0  -4 26.056  52.112   0.285    7.95    2        9.6        0.5
  105   6   1  -1 26.152  52.304   0.286    7.88    4       57.8       35.4
  106   4   3  -1 26.355  52.709   0.288    7.74    4        0.8        0.0
  107   5   2   0 26.373  52.746   0.288    7.73    4        3.5        0.1
  108   4   1   2 26.558  53.116   0.29     7.61    4       19.6        3.9
  109   5   1   1 26.578  53.156   0.29     7.59    4       19.7        3.9
  110   2   2  -4 26.584  53.167   0.29     7.59    4        9.8        1.0
  111   3   3   1 26.625  53.25    0.291    7.56    4        7.4        0.5
  112   5   2  -3 26.63   53.261   0.291    7.56    4       14.5        2.2
  113   2   3  -3 26.744  53.488   0.292    7.49    4        9.4        0.9
  114   3   2  -4 26.842  53.685   0.293    7.42    4        0.3        0.0
  115   1   3  -3 26.859  53.717   0.293    7.41    4       51.0       26.0
  116   4   3  -2 26.892  53.784   0.294    7.39    4       53.3       28.3
  117   1   0   4 26.982  53.963   0.295    7.34    2       59.4       17.4
  118   6   1  -3 26.984  53.967   0.295    7.34    4        0.1        0.0
  119   5   1  -4 27.004  54.007   0.295    7.32    4       14.7        2.1
  120   6   0   0 27.135  54.27    0.296    7.24    2       40.8        8.1
  121   1   2  -4 27.147  54.294   0.296    7.24    4       24.3        5.7
  122   2   3   2 27.348  54.695   0.298    7.12    4       30.6        8.9
  123   4   3   0 27.374  54.748   0.298    7.1     4        1.6        0.0
  124   0   4   0 27.379  54.757   0.299    7.1     2       26.6        3.4
  125   2   2   3 27.43   54.859   0.299    7.07    4       47.6       21.5
  126   3   3  -3 27.446  54.893   0.299    7.06    4       16.6        2.6
  127   1   4   0 27.782  55.564   0.303    6.87    4        7.2        0.5
  128   0   3   3 27.784  55.568   0.303    6.87    4       15.5        2.2
  129   1   1   4 27.907  55.815   0.304    6.8     4       10.2        0.9
  130   4   2  -4 27.908  55.816   0.304    6.8     4       27.6        7.0
  131   3   1   3 27.999  55.999   0.305    6.75    4        6.8        0.4
  132   6   1   0 28.058  56.115   0.305    6.71    4       25.1        5.7
  133   1   4  -1 28.101  56.202   0.306    6.69    4        7.9        0.6
  134   0   4   1 28.138  56.276   0.306    6.67    4       21.1        4.0
  135   0   2   4 28.5    56.999   0.31     6.48    4        2.3        0.0
  136   6   2  -2 28.576  57.152   0.31     6.44    4       23.6        4.8
  137   6   0  -4 28.742  57.485   0.312    6.36    2        5.1        0.1
  138   2   4  -1 28.854  57.708   0.313    6.3     4       13.2        1.5
  139   6   2  -1 28.924  57.848   0.314    6.27    4       11.6        1.1
  140   4   3  -3 28.926  57.852   0.314    6.27    4        6.4        0.3
  141   1   4   1 28.963  57.927   0.314    6.25    4       16.9        2.4
  142   2   4   0 28.97   57.939   0.314    6.25    4       16.3        2.2
  143   7   0  -2 29.227  58.455   0.317    6.12    2       50.0       10.3
  144   4   2   2 29.304  58.608   0.318    6.09    4       41.8       14.3
  145   5   2   1 29.323  58.645   0.318    6.08    4       20.5        3.4
  146   1   3   3 29.469  58.937   0.319    6.01    4       22.6        4.1
  147   5   3  -1 29.519  59.037   0.32     5.99    4        5.5        0.2
  148   3   1  -5 29.576  59.151   0.32     5.96    4       42.4       14.4
  149   5   3  -2 29.598  59.197   0.321    5.95    4       20.9        3.5
  150   6   1  -4 29.632  59.264   0.321    5.94    4        4.0        0.1
  151   6   2  -3 29.703  59.406   0.322    5.9     4       11.4        1.0
  152   5   2  -4 29.722  59.444   0.322    5.9     4       21.4        3.6
  153   2   1  -5 29.755  59.51    0.322    5.88    4       12.4        1.2
  154   4   3   1 29.841  59.682   0.323    5.84    4        8.7        0.6
  155   1   4  -2 29.889  59.778   0.323    5.82    4        8.8        0.6
  156   2   0   4 29.897  59.794   0.324    5.82    2       10.9        0.5
  157   5   0   2 30.087  60.175   0.325    5.74    2        7.5        0.2
  158   7   1  -2 30.108  60.216   0.326    5.73    4       12.5        1.2
  159   4   1  -5 30.164  60.328   0.326    5.7     4        5.0        0.2
  160   3   3   2 30.169  60.338   0.326    5.7     4       11.2        1.0
  161   2   4  -2 30.2    60.4     0.327    5.69    4       37.7       10.9
  162   0   4   2 30.342  60.683   0.328    5.63    4        4.5        0.2
  163   3   4  -1 30.36   60.72    0.328    5.62    4       14.7        1.6
  164   2   4   1 30.536  61.073   0.33     5.55    4       24.9        4.6
  165   1   2   4 30.574  61.147   0.33     5.53    4        5.1        0.2
  166   3   2   3 30.66   61.321   0.331    5.5     4       21.2        3.3
  167   1   1  -5 30.693  61.386   0.331    5.49    4       19.5        2.8
  168   6   2   0 30.715  61.431   0.332    5.48    4       19.5        2.8
  169   2   1   4 30.766  61.532   0.332    5.46    4       14.9        1.6
  170   7   1  -3 30.791  61.581   0.332    5.45    4       37.6       10.4
  171   7   1  -1 30.857  61.715   0.333    5.42    4        5.8        0.2
  172   5   3   0 30.88   61.76    0.333    5.41    4       36.7        9.8
  173   3   4   0 30.884  61.769   0.333    5.41    4        3.2        0.1
  174   5   1   2 30.953  61.906   0.334    5.39    4       10.7        0.8
  175   2   3  -4 31.07   62.14    0.335    5.34    4       44.3       14.1
  176   5   3  -3 31.113  62.225   0.335    5.32    4       10.7        0.8
  177   3   4  -2 31.261  62.521   0.337    5.27    4       40.5       11.6
  178   3   3  -4 31.305  62.61    0.337    5.25    4        7.0        0.4
  179   6   1   1 31.31   62.62    0.337    5.25    4       14.4        1.5
  180   5   1  -5 31.494  62.987   0.339    5.18    4       13.0        1.2
  181   1   4   2 31.538  63.075   0.34     5.17    4       12.2        1.0
  182   1   3  -4 31.582  63.163   0.34     5.15    4       20.4        2.9
  183   2   3   3 31.839  63.678   0.342    5.06    4       17.6        2.1
  184   4   1   3 31.935  63.87    0.343    5.03    4       21.3        3.1
  185   7   0  -4 32.018  64.035   0.344    5.0     2        1.7        0.0
  186   7   0   0 32.148  64.296   0.345    4.96    2       12.3        0.5
  187   3   2  -5 32.156  64.312   0.345    4.95    4       20.6        2.8
  188   6   2  -4 32.21   64.419   0.346    4.94    4       16.6        1.8
  189   4   3  -4 32.276  64.552   0.347    4.91    4       43.5       12.5
  190   2   2  -5 32.327  64.654   0.347    4.9     4       36.3        8.7
  191   0   1   5 32.352  64.704   0.347    4.89    4       21.2        3.0
  192   4   4  -1 32.557  65.114   0.349    4.82    4        9.0        0.5
  193   7   2  -2 32.664  65.327   0.35     4.79    4       14.9        1.4
  194   4   2  -5 32.717  65.435   0.351    4.77    4       27.9        5.0
  195   3   4   1 32.794  65.589   0.352    4.75    4        1.7        0.0
  196   0   3   4 32.82   65.64    0.352    4.74    4       21.6        3.0
  197   7   1  -4 32.854  65.708   0.352    4.73    4       15.3        1.5
  198   6   3  -2 32.89   65.781   0.352    4.72    4       50.8       16.4
  199   2   4  -3 32.899  65.798   0.353    4.72    4        1.0        0.0
  200   7   1   0 32.983  65.965   0.353    4.69    4       27.6        4.8
  201   1   4  -3 33.0    66.001   0.354    4.68    4       14.4        1.3
  202   4   4  -2 33.03   66.059   0.354    4.68    4       48.3       14.7
  203   6   3  -1 33.211  66.422   0.356    4.62    4        1.6        0.0
  204   1   2  -5 33.224  66.447   0.356    4.62    4       24.4        3.7
  205   2   2   4 33.293  66.587   0.356    4.6     4       16.8        1.8
  206   7   2  -3 33.317  66.634   0.357    4.59    4        5.9        0.2
  207   3   0   4 33.374  66.747   0.357    4.57    2       11.5        0.4
  208   7   2  -1 33.381  66.761   0.357    4.57    4       21.1        2.8
  209   2   4   2 33.433  66.866   0.358    4.56    4       37.9        8.8
  210   4   4   0 33.456  66.913   0.358    4.55    4       53.5       17.5
  211   5   2   2 33.472  66.945   0.358    4.55    4        8.2        0.4
  212   6   1  -5 33.516  67.031   0.358    4.53    4       19.2        2.2
  213   3   4  -3 33.521  67.041   0.358    4.53    4        7.3        0.3
  214   4   3   2 33.563  67.125   0.359    4.52    4       39.4        9.4
  215   5   3   1 33.58   67.16    0.359    4.51    4       17.8        1.9
  216   6   2   1 33.815  67.631   0.361    4.45    4       15.7        1.5
  217   0   4   3 33.821  67.642   0.361    4.45    4        4.4        0.1
  218   6   3  -3 33.933  67.866   0.362    4.42    4       10.4        0.6
  219   5   3  -4 33.951  67.901   0.363    4.41    4        7.2        0.3
  220   8   0  -2 33.985  67.97    0.363    4.4     2       45.6        6.2
  221   5   2  -5 33.991  67.983   0.363    4.4     4       31.5        5.9
  222   3   1   4 34.193  68.386   0.365    4.35    4       21.9        2.8
  223   4   2   3 34.416  68.832   0.367    4.29    4       40.1        9.3
  224   1   1   5 34.677  69.355   0.369    4.22    4        7.9        0.4
  225   1   3   4 34.744  69.489   0.37     4.21    4       22.3        2.8
  226   8   1  -2 34.797  69.595   0.37     4.19    4       25.8        3.8
  227   0   2   5 34.818  69.635   0.371    4.19    4       62.5       22.0
  228   3   3   3 34.826  69.652   0.371    4.19    4       14.1        1.1
  229   4   4  -3 34.846  69.692   0.371    4.18    4       18.2        1.9
  230   6   3   0 34.877  69.754   0.371    4.17    4       31.5        5.6
  231   6   0   2 34.91   69.82    0.371    4.17    2       28.4        2.3
  232   8   1  -3 35.048  70.095   0.373    4.13    4        5.2        0.2
  233   3   0  -6 35.161  70.321   0.374    4.11    2        0.8        0.0
  234   7   2  -4 35.303  70.605   0.375    4.07    4        9.4        0.5
  235   4   0  -6 35.316  70.632   0.375    4.07    2       19.7        1.1
  236   1   4   3 35.337  70.675   0.375    4.07    4        0.8        0.0
  237   5   4  -1 35.383  70.765   0.376    4.06    4       17.1        1.6
  238   7   2   0 35.427  70.853   0.376    4.05    4        9.1        0.5
  239   1   5   0 35.439  70.879   0.376    4.04    4       15.2        1.3
  240   5   4  -2 35.455  70.91    0.377    4.04    4       12.0        0.8
  241   4   4   1 35.676  71.352   0.379    3.99    4       11.7        0.7
  242   2   0  -6 35.707  71.414   0.379    3.98    2       40.5        4.4
  243   6   1   2 35.713  71.426   0.379    3.98    4       12.6        0.8
  244   1   5  -1 35.718  71.437   0.379    3.98    4        8.0        0.3
  245   0   5   1 35.751  71.502   0.379    3.97    4       24.3        3.1
  246   8   0  -4 35.82   71.639   0.38     3.96    2       28.8        2.2
  247   8   1  -1 35.875  71.751   0.38     3.95    4       51.1       13.9
  248   6   2  -5 35.943  71.885   0.381    3.93    4       45.0       10.7
  249   3   1  -6 35.961  71.922   0.381    3.93    4       23.8        3.0
  250   3   4   2 35.975  71.951   0.381    3.92    4       27.7        4.0
  251   4   1  -6 36.115  72.229   0.383    3.9     4       11.7        0.7
  252   5   0  -6 36.168  72.337   0.383    3.88    2       20.6        1.1
  253   7   1  -5 36.177  72.353   0.383    3.88    4       13.5        0.9
  254   3   3  -5 36.232  72.465   0.384    3.87    4       12.9        0.9
  255   6   3  -4 36.283  72.566   0.384    3.86    4       39.2        8.0
  256   5   1   3 36.316  72.632   0.384    3.85    4       12.0        0.8
  257   7   1   1 36.361  72.722   0.385    3.84    4       11.3        0.7
  258   2   5  -1 36.382  72.764   0.385    3.84    4       26.8        3.7
  259   2   3  -5 36.394  72.788   0.385    3.84    4        9.2        0.4
  260   1   5   1 36.479  72.957   0.386    3.82    4        4.4        0.1
  261   2   5   0 36.484  72.968   0.386    3.82    4       10.5        0.6
  262   2   1  -6 36.502  73.004   0.386    3.82    4       29.1        4.4
  263   3   2   4 36.599  73.199   0.387    3.8     4       29.9        4.6
  264   8   1  -4 36.614  73.228   0.387    3.79    4       41.7        8.9
  265   5   4   0 36.627  73.254   0.387    3.79    4       22.9        2.7
  266   7   3  -2 36.713  73.426   0.388    3.77    4        3.9        0.1
  267   4   3  -5 36.764  73.527   0.389    3.76    4       19.2        1.9
  268   2   4  -4 36.802  73.605   0.389    3.76    4       19.1        1.8
  269   5   4  -3 36.841  73.683   0.389    3.75    4       10.5        0.6
  270   1   0  -6 36.941  73.882   0.39     3.73    2       39.9        4.0
  271   5   1  -6 36.96   73.919   0.39     3.73    4       26.9        3.6
  272   3   4  -4 37.019  74.038   0.391    3.72    4       24.0        2.9
  273   1   2   5 37.07   74.141   0.391    3.71    4       16.5        1.4
  274   8   2  -2 37.187  74.374   0.392    3.69    4        1.1        0.0
  275   1   3  -5 37.245  74.489   0.393    3.67    4        3.7        0.1
  276   1   4  -4 37.275  74.55    0.393    3.67    4        5.9        0.2
  277   1   5  -2 37.304  74.607   0.393    3.66    4        3.6        0.1
  278   2   3   4 37.311  74.622   0.393    3.66    4       46.1       10.5
  279   7   3  -3 37.333  74.667   0.394    3.66    4       19.8        1.9
  280   4   0   4 37.365  74.73    0.394    3.65    2       39.6        3.9
  281   7   3  -1 37.394  74.788   0.394    3.65    4        0.3        0.0
  282   8   2  -3 37.431  74.861   0.395    3.64    4       32.7        5.2
  283   8   0   0 37.454  74.908   0.395    3.64    2       57.0        8.0
  284   5   3   2 37.481  74.963   0.395    3.63    4       23.7        2.8
  285   2   4   3 37.513  75.027   0.395    3.63    4       20.5        2.1
  286   2   5  -2 37.583  75.166   0.396    3.61    4        8.4        0.3
  287   2   1   5 37.621  75.241   0.396    3.61    4       21.2        2.2
  288   6   0  -6 37.699  75.398   0.397    3.59    2       30.9        2.3
  289   0   5   2 37.71   75.42    0.397    3.59    4        1.6        0.0
  290   1   1  -6 37.726  75.453   0.397    3.59    4       14.2        1.0
  291   3   5  -1 37.727  75.454   0.397    3.59    4       10.5        0.5
  292   6   3   1 37.808  75.617   0.398    3.58    4       22.6        2.5
  293   2   5   1 37.886  75.772   0.399    3.56    4       55.0       14.5
  294   4   4  -4 37.92   75.839   0.399    3.56    4        4.4        0.1
  295   5   3  -5 37.977  75.954   0.399    3.55    4        4.9        0.1
  296   6   2   2 38.079  76.159   0.4      3.53    4        9.9        0.5
  297   4   1   4 38.147  76.295   0.401    3.52    4       13.6        0.9
  298   3   5   0 38.201  76.401   0.401    3.51    4       28.4        3.8
  299   8   1   0 38.235  76.471   0.402    3.51    4        5.5        0.1
  300   8   2  -1 38.238  76.477   0.402    3.51    4       16.0        1.2
  301   3   2  -6 38.322  76.644   0.403    3.49    4        7.0        0.2
  302   4   3   3 38.383  76.766   0.403    3.48    4       11.9        0.7
  303   0   4   4 38.427  76.854   0.403    3.48    4       15.6        1.1
  304   4   2  -6 38.472  76.944   0.404    3.47    4       12.3        0.7
  305   6   1  -6 38.479  76.958   0.404    3.47    4        5.3        0.1
  306   6   4  -2 38.493  76.986   0.404    3.47    4       39.9        7.4
  307   7   2  -5 38.532  77.065   0.404    3.46    4       28.0        3.6
  308   3   5  -2 38.542  77.085   0.404    3.46    4       22.5        2.4
  309   5   2   3 38.669  77.338   0.406    3.44    4       10.3        0.5
  310   7   2   1 38.713  77.425   0.406    3.43    4       20.2        1.9
  311   0   3   5 38.768  77.537   0.406    3.42    4        0.3        0.0
  312   6   4  -1 38.794  77.588   0.407    3.42    4        7.6        0.3
  313   1   5   2 38.795  77.59    0.407    3.42    4       19.2        1.7
  314   0   0   6 38.84   77.68    0.407    3.41    2       29.0        1.9
  315   2   2  -6 38.851  77.702   0.407    3.41    4       15.3        1.1
  316   8   2  -4 38.961  77.921   0.408    3.4     4        2.1        0.0
  317   9   0  -2 39.118  78.235   0.41     3.37    2       63.5        9.1
  318   4   4   2 39.124  78.248   0.41     3.37    4       57.6       15.1
  319   5   4   1 39.14   78.281   0.41     3.37    4        4.7        0.1
  320   7   3  -4 39.234  78.469   0.411    3.36    4       20.3        1.9
  321   5   2  -6 39.299  78.598   0.411    3.35    4       26.8        3.2
  322   7   3   0 39.354  78.708   0.412    3.34    4        5.3        0.1
  323   8   1  -5 39.437  78.874   0.412    3.33    4        1.6        0.0
  324   6   4  -3 39.473  78.946   0.413    3.32    4       15.7        1.1
  325   5   4  -4 39.49   78.98    0.413    3.32    4       65.6       19.3
  326   0   1   6 39.613  79.226   0.414    3.3     4       25.2        2.8
  327   4   5  -1 39.731  79.461   0.415    3.29    4       47.2        9.9
  328   9   1  -3 39.76   79.52    0.415    3.29    4       27.5        3.3
  329   6   3  -5 39.852  79.703   0.416    3.27    4        7.8        0.3
  330   7   0  -6 39.883  79.767   0.416    3.27    2       15.9        0.6
  331   9   1  -2 39.889  79.778   0.416    3.27    4       32.5        4.6
  332   2   2   5 39.948  79.896   0.417    3.26    4       25.6        2.9
  333   3   5   1 39.95   79.9     0.417    3.26    4        7.5        0.2
  334   2   5  -3 40.047  80.094   0.418    3.25    4       19.1        1.6
  335   1   2  -6 40.052  80.103   0.418    3.25    4       28.8        3.6
  336   7   0   2 40.121  80.243   0.418    3.24    2       23.1        1.2
  337   9   0  -4 40.133  80.267   0.418    3.24    2       38.4        3.2
  338   1   5  -3 40.141  80.281   0.418    3.24    4       31.7        4.4
  339   4   5  -2 40.168  80.336   0.419    3.23    4       11.5        0.6
  340   1   4   4 40.241  80.483   0.419    3.22    4       24.1        2.5
  341   3   4   3 40.319  80.637   0.42     3.22    4       15.0        1.0
  342   6   4   0 40.367  80.735   0.42     3.21    4       40.1        6.9
  343   4   2   4 40.465  80.931   0.421    3.2     4       11.2        0.5
  344   3   3   4 40.487  80.974   0.421    3.2     4       11.3        0.6
  345   2   5   2 40.542  81.085   0.422    3.19    4        7.2        0.2
  346   8   2   0 40.552  81.104   0.422    3.19    4       15.8        1.1
  347   4   5   0 40.564  81.128   0.422    3.19    4       18.1        1.4
  348   3   5  -3 40.624  81.248   0.423    3.18    4       18.9        1.5
  349   7   1  -6 40.651  81.302   0.423    3.18    4        8.4        0.3
  350   6   2  -6 40.792  81.584   0.424    3.16    4       12.3        0.6
  351   7   1   2 40.888  81.776   0.425    3.15    4       30.4        3.9
  352   9   1  -4 40.9    81.8     0.425    3.15    4        9.8        0.4
  353   0   5   3 40.905  81.809   0.425    3.15    4       10.0        0.4
  354   1   3   5 40.944  81.889   0.425    3.14    4        2.2        0.0
  355   8   3  -2 41.058  82.116   0.426    3.13    4        0.3        0.0
  356   3   1   5 41.155  82.311   0.427    3.12    4       14.5        0.9
  357   6   1   3 41.164  82.329   0.427    3.12    4       26.7        3.0
  358   9   1  -1 41.285  82.57    0.428    3.11    4        8.0        0.3
  359   8   3  -3 41.295  82.589   0.428    3.11    4       14.2        0.8
  360   1   0   6 41.38   82.76    0.429    3.1     2       15.2        0.5
  361   3   4  -5 41.662  83.324   0.431    3.07    4        6.7        0.2
  362   6   4  -4 41.711  83.421   0.432    3.07    4        0.0        0.0
  363   8   2  -5 41.737  83.474   0.432    3.06    4       31.1        4.0
  364   8   1   1 41.813  83.625   0.433    3.06    4       21.0        1.8
  365   2   4  -5 41.817  83.635   0.433    3.06    4       18.8        1.5
  366   4   5  -3 41.867  83.734   0.433    3.05    4       30.4        3.8
  367   5   0   4 41.876  83.752   0.433    3.05    2       24.2        1.2
  368   0   2   6 41.911  83.821   0.434    3.05    4       14.3        0.8
  369   6   3   2 41.927  83.854   0.434    3.04    4       16.4        1.1
  370   9   2  -3 42.056  84.112   0.435    3.03    4       14.7        0.9
  371   8   3  -1 42.082  84.165   0.435    3.03    4       15.4        1.0
  372   7   4  -2 42.124  84.248   0.435    3.03    4       12.1        0.6
  373   1   1   6 42.142  84.285   0.436    3.03    4       17.9        1.3
  374   3   3  -6 42.164  84.328   0.436    3.02    4       37.1        5.6
  375   4   4  -5 42.173  84.346   0.436    3.02    4       28.4        3.3
  376   9   2  -2 42.184  84.367   0.436    3.02    4        1.1        0.0
  377   4   3  -6 42.311  84.622   0.437    3.01    4       46.0        8.6
  378   1   5   3 42.331  84.663   0.437    3.01    4       25.8        2.7
  379   7   3  -5 42.37   84.74    0.437    3.01    4        5.4        0.1
  380   5   5  -1 42.374  84.749   0.437    3.0     4       27.6        3.1
  381   5   5  -2 42.443  84.886   0.438    3.0     4       28.8        3.4
  382   5   3   3 42.504  85.007   0.439    2.99    4        8.3        0.3
  383   7   3   1 42.547  85.093   0.439    2.99    4        7.7        0.2
  384   5   1   4 42.637  85.274   0.44     2.98    4        4.2        0.1
  385   1   4  -5 42.637  85.275   0.44     2.98    4       15.0        0.9
  386   4   5   1 42.653  85.306   0.44     2.98    4       42.2        7.1
  387   2   3  -6 42.682  85.364   0.44     2.98    4        2.2        0.0
  388   2   4   4 42.702  85.403   0.44     2.98    4        9.2        0.3
  389   8   0  -6 42.703  85.406   0.44     2.98    2       33.8        2.3
  390   7   4  -3 42.723  85.447   0.44     2.98    4       14.6        0.9
  391   7   4  -1 42.782  85.564   0.441    2.97    4        3.7        0.1
  392   8   3  -4 42.79   85.579   0.441    2.97    4       14.4        0.8
  393   5   4   2 42.867  85.733   0.442    2.96    4       28.0        3.1
  394   3   5   2 42.938  85.876   0.442    2.96    4       20.6        1.7
  395   7   2  -6 42.938  85.876   0.442    2.96    4       14.2        0.8
  396   4   1  -7 42.945  85.89    0.442    2.96    4       25.8        2.7
  397   5   3  -6 43.122  86.244   0.444    2.94    4       42.2        7.1
  398   3   1  -7 43.161  86.322   0.444    2.94    4       22.7        2.0
  399   9   0   0 43.168  86.336   0.444    2.94    2        2.9        0.0
  400   7   2   2 43.173  86.346   0.444    2.94    4        6.6        0.2
  401   6   4   1 43.184  86.367   0.444    2.94    4        5.3        0.1
  402   9   2  -4 43.185  86.369   0.444    2.94    4       24.4        2.4
  403   9   1  -5 43.29   86.58    0.445    2.93    4       15.1        0.9
  404   5   4  -5 43.347  86.694   0.446    2.93    4        7.9        0.2
  405   5   1  -7 43.392  86.784   0.446    2.93    4       14.0        0.8
  406   3   2   5 43.438  86.876   0.446    2.92    4       37.5        5.5
  407   6   2   3 43.447  86.894   0.446    2.92    4       50.7       10.1
  408   8   1  -6 43.462  86.924   0.447    2.92    4       23.8        2.2
  409   5   5   0 43.561  87.122   0.447    2.91    4       23.8        2.2
  410   9   2  -1 43.567  87.133   0.447    2.91    4       26.9        2.8
  411   0   6   0 43.615  87.229   0.448    2.91    2       44.6        3.9
  412   2   5  -4 43.729  87.458   0.449    2.9     4        4.8        0.1
  413   4   4   3 43.742  87.484   0.449    2.9     4       25.6        2.6
  414   2   3   5 43.76   87.52    0.449    2.9     4        2.6        0.0
  415   5   5  -3 43.767  87.533   0.449    2.9     4       34.1        4.5
  416   1   3  -6 43.862  87.725   0.45     2.89    4       29.8        3.5
  417   9   1   0 43.926  87.852   0.45     2.89    4       24.8        2.4
  418   3   5  -4 43.937  87.874   0.45     2.89    4        6.9        0.2
  419   1   6   0 43.946  87.892   0.45     2.89    4        0.6        0.0
  420   2   1  -7 44.04   88.08    0.451    2.88    4       13.0        0.7
  421   8   2   1 44.091  88.182   0.452    2.88    4       32.4        4.1
  422   0   4   5 44.118  88.237   0.452    2.88    4       22.0        1.9
  423   1   5  -4 44.184  88.368   0.452    2.87    4       15.3        0.9
  424   1   6  -1 44.21   88.42    0.453    2.87    4       26.0        2.6
  425   0   6   1 44.241  88.482   0.453    2.87    4        0.9        0.0
  426   4   3   4 44.271  88.542   0.453    2.87    4       55.2       11.7
  427   8   3   0 44.356  88.713   0.454    2.86    4       14.3        0.8
  428   2   5   3 44.414  88.828   0.454    2.86    4        5.2        0.1
  429   1   2   6 44.419  88.838   0.454    2.86    4       11.8        0.5
  430   6   1  -7 44.502  89.003   0.455    2.85    4       35.1        4.7
  431   2   0   6 44.554  89.108   0.455    2.85    2       39.5        3.0
  432   7   4  -4 44.574  89.149   0.456    2.85    4       26.8        2.7
  433   6   3  -6 44.594  89.187   0.456    2.85    4       43.7        7.3
  434   7   4   0 44.692  89.383   0.457    2.84    4       11.7        0.5
  435  10   0  -2 44.726  89.451   0.457    2.84    2       46.4        4.1
  436   4   5  -4 44.807  89.615   0.457    2.84    4       17.9        1.2
  437   2   6  -1 44.842  89.683   0.458    2.84    4        4.4        0.1
  438   5   2   4 44.912  89.823   0.458    2.83    4       14.4        0.8
  439   1   6   1 44.934  89.868   0.458    2.83    4        6.0        0.1
  440   2   6   0 44.939  89.879   0.459    2.83    4       25.2        2.4
  441  10   1  -3 44.994  89.988   0.459    2.83    4       21.7        1.8
  442  10   0  -4 45.0    89.999   0.459    2.83    2        8.4        0.1


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

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

    1   1   0   0   4.36    8.719 10.13323        4.0      1.0      1.0     5.6
    2   1   1   0   7.922  15.844  5.58882      307.8     78.8     78.9     5.6
    3   2   0   0   8.745  17.489  5.06662      390.6    100.0    100.0     5.6
    4   1   1  -1   8.838  17.676  5.01356       56.4     14.5     14.4     5.6
    5   0   1   1   8.939  17.878  4.95741      241.7     61.9     61.9     5.6
    6   2   1  -1  10.724  21.448  4.13963      166.6     42.6     42.5     5.6
    7   1   1   1  10.974  21.948  4.04642       76.0     19.5     19.4     5.6
    8   1   0  -2  11.067  22.134  4.01277      103.7     26.6     26.5     5.6
    9   2   0  -2  11.762  23.523  3.77887      191.8     49.1     48.9     5.6
   10   0   0   2  12.067  24.133  3.68469       32.7      8.4      8.3     5.6
   11   1   1  -2  12.93   25.859  3.44256       74.0     18.9     18.8     5.6
   12   3   0   0  13.182  26.364  3.37774       84.5     21.6     21.5     5.6
   13   0   1   2  13.803  27.605  3.22865      172.4     44.1     43.8     5.6
   14   3   1  -1  13.837  27.674  3.22072       90.4     23.1     23.0     5.6
   15   3   0  -2  13.912  27.825  3.20368      115.4     29.5     29.3     5.6
   16   2   1   1  14.165  28.331  3.14759      223.6     57.2     56.8     5.6
   17   1   2  -1  14.567  29.134  3.06262      208.2     53.3     52.8     5.6
   18   0   2   1  14.63   29.26   3.04968       67.0     17.1     17.0     5.6
   19   3   1   0  14.796  29.593  3.01613        8.6      2.2      2.2     5.6
   20   3   1  -2  15.457  30.913  2.89026       23.1      5.9      5.9     5.6
   21   2   2  -1  15.815  31.631  2.82634      107.2     27.5     27.2     5.6
   22   1   1   2  15.93   31.86   2.80651       99.6     25.5     25.2     5.6
   23   2   2   0  16.001  32.002  2.79441       44.7     11.4     11.3     5.6
   24   1   2  -2  17.429  34.859  2.57164        7.1      1.8      1.8     5.7
   25   4   1  -1  17.59   35.181  2.54882      161.7     41.4     40.8     5.7
   26   2   2  -2  17.895  35.791  2.50678        5.9      1.5      1.5     5.7
   27   0   2   2  18.105  36.21   2.4787        69.5     17.8     17.5     5.7
   28   1   1  -3  18.279  36.559  2.45587       15.0      3.8      3.8     5.7
   29   2   2   1  18.391  36.782  2.44145       35.1      9.0      8.9     5.7
   30   2   1   2  18.935  37.87   2.37378        7.5      1.9      1.9     5.7
   31   3   1  -3  19.066  38.132  2.35806       10.3      2.6      2.6     5.7
   32   3   2  -2  19.432  38.864  2.31534       16.6      4.3      4.2     5.7
   33   0   1   3  19.511  39.022  2.30633       55.9     14.3     14.1     5.7
   34   1   2   2  19.821  39.643  2.27161        9.8      2.5      2.5     5.7
   35   1   3   0  20.682  41.364  2.18099        4.7      1.2      1.2     5.7
   36   0   3   1  21.124  42.249  2.13734       10.0      2.5      2.5     5.7
   37   4   2  -1  21.218  42.436  2.12834        4.0      1.0      1.0     5.7
   38   2   2  -3  21.675  43.35   2.08554       23.7      6.1      5.9     5.7
   39   5   1  -1  21.726  43.451  2.08093       22.4      5.7      5.6     5.7
   40   4   2  -2  21.848  43.696  2.06981       26.3      6.7      6.6     5.7
   41   4   2   0  22.409  44.818  2.02061       51.0     13.1     12.8     5.7
   42   3   1   2  22.53   45.061  2.01027       20.9      5.4      5.2     5.7
   43   2   0  -4  22.576  45.153  2.00639        8.6      2.2      2.1     5.7
   44   0   2   3  22.882  45.765  1.98096       10.6      2.7      2.6     5.7
   45   1   0  -4  23.21   46.42   1.9545        10.0      2.6      2.5     5.7
   46   1   3  -2  23.249  46.497  1.95145       15.3      3.9      3.8     5.7
   47   5   1   0  23.396  46.792  1.93984        4.0      1.0      1.0     5.7
   48   2   1  -4  23.626  47.251  1.92205       66.3     17.0     16.5     5.7
   49   0   3   2  23.785  47.57   1.9099         8.0      2.0      2.0     5.7
   50   2   3   1  24.015  48.03   1.8927        21.4      5.5      5.3     5.7
   51   4   2  -3  24.186  48.373  1.88009       42.2     10.8     10.5     5.7
   52   3   3   0  24.423  48.847  1.86294       45.8     11.7     11.4     5.7
   53   0   0   4  24.715  49.429  1.84234        7.7      2.0      1.9     5.7
   54   6   0  -2  24.799  49.598  1.83646        8.1      2.1      2.0     5.7
   55   5   2  -1  24.855  49.71   1.83259        4.7      1.2      1.2     5.7
   56   5   2  -2  24.945  49.889  1.82642       17.0      4.4      4.2     5.7
   57   0   1   4  25.697  51.395  1.77641       29.4      7.5      7.3     5.8
   58   6   1  -2  25.779  51.559  1.77113        6.7      1.7      1.7     5.8
   59   6   1  -1  26.152  52.304  1.74764       35.4      9.1      8.8     5.8
   60   5   1   1  26.578  53.156  1.72162        8.8      2.3      2.2     5.8
   61   1   3  -3  26.859  53.717  1.70495       26.0      6.6      6.4     5.8
   62   4   3  -2  26.892  53.784  1.703         28.3      7.2      7.0     5.8
   63   1   0   4  26.982  53.963  1.69775       19.6      5.0      4.8     5.8
   64   6   0   0  27.135  54.27   1.68887       13.8      3.5      3.4     5.8
   65   2   3   2  27.348  54.695  1.67676        9.0      2.3      2.2     5.8
   66   2   2   3  27.43   54.859  1.67212       24.1      6.2      6.0     5.8
   67   4   2  -4  27.908  55.816  1.64572        7.0      1.8      1.7     5.8
   68   6   1   0  28.058  56.115  1.63765        5.7      1.5      1.4     5.8
   69   0   4   1  28.138  56.276  1.63334        4.0      1.0      1.0     5.8
   70   6   2  -2  28.576  57.152  1.61036        4.8      1.2      1.2     5.8
   71   1   4   1  28.963  57.927  1.59066        4.6      1.2      1.1     5.8
   72   7   0  -2  29.227  58.455  1.57755       10.3      2.6      2.5     5.8
   73   4   2   2  29.304  58.608  1.57379       17.8      4.6      4.4     5.8
   74   1   3   3  29.469  58.937  1.56578        4.1      1.1      1.0     5.8
   75   3   1  -5  29.576  59.151  1.56062       17.9      4.6      4.4     5.8
   76   5   2  -4  29.722  59.444  1.55363        4.7      1.2      1.1     5.8
   77   2   4  -2  30.2    60.4    1.53131       10.9      2.8      2.7     5.8
   78   2   4   1  30.536  61.073  1.51605        4.6      1.2      1.1     5.8
   79   1   1  -5  30.693  61.386  1.50905        5.6      1.4      1.4     5.8
   80   7   1  -3  30.791  61.581  1.50474       12.0      3.1      2.9     5.8
   81   5   3   0  30.88   61.76   1.50082        9.9      2.5      2.4     5.8
   82   2   3  -4  31.07   62.14   1.49254       14.1      3.6      3.4     5.8
   83   3   4  -2  31.261  62.521  1.48436       11.6      3.0      2.8     5.8
   84   4   3  -4  32.276  64.552  1.44247       12.5      3.2      3.0     5.9
   85   2   2  -5  32.327  64.654  1.44045       11.6      3.0      2.8     5.9
   86   4   2  -5  32.717  65.435  1.42514        5.0      1.3      1.2     5.9
   87   6   3  -2  32.89   65.781  1.41848       16.4      4.2      4.0     5.9
   88   7   1   0  32.983  65.965  1.41495        6.1      1.6      1.5     5.9
   89   4   4  -2  33.03   66.059  1.41317       14.7      3.8      3.6     5.9
   90   4   4   0  33.456  66.913  1.39721       26.3      6.7      6.4     5.9
   91   4   3   2  33.563  67.125  1.3933        11.4      2.9      2.8     5.9
   92   8   0  -2  33.985  67.97   1.37802       12.0      3.1      2.9     5.9
   93   4   2   3  34.416  68.832  1.36286        9.3      2.4      2.2     5.9
   94   0   2   5  34.818  69.635  1.34908       28.8      7.4      6.9     5.9
   95   6   3   0  34.877  69.754  1.34707        5.6      1.4      1.3     5.9
   96   2   0  -6  35.707  71.414  1.31979        5.6      1.4      1.3     5.9
   97   8   1  -1  35.875  71.751  1.31441       13.9      3.6      3.3     5.9
   98   6   2  -5  35.943  71.885  1.31229       13.7      3.5      3.3     5.9
   99   3   4   2  35.975  71.951  1.31126        4.0      1.0      1.0     5.9
  100   6   3  -4  36.283  72.566  1.30165        8.0      2.0      1.9     6.0
  101   2   5  -1  36.382  72.764  1.2986         4.1      1.1      1.0     6.0
  102   2   1  -6  36.502  73.004  1.29491        4.4      1.1      1.0     6.0
  103   8   1  -4  36.614  73.228  1.2915        16.1      4.1      3.9     6.0
  104   1   0  -6  36.941  73.882  1.28168        7.6      1.9      1.8     6.0
  105   2   3   4  37.311  74.622  1.2708        12.4      3.2      3.0     6.0
  106   8   0   0  37.454  74.908  1.26665       16.0      4.1      3.8     6.0
  107   2   5   1  37.886  75.772  1.25434       14.5      3.7      3.5     6.0
  108   6   4  -2  38.493  76.986  1.23756        7.4      1.9      1.8     6.0
  109   7   2  -5  38.532  77.065  1.23649        6.0      1.5      1.4     6.0
  110   4   4   2  39.124  78.248  1.22073       24.3      6.2      5.8     6.0
  111   5   4  -4  39.49   78.98   1.21125       20.4      5.2      4.8     6.0
  112   4   5  -1  39.731  79.461  1.20511       13.2      3.4      3.1     6.0
  113   9   1  -2  39.889  79.778  1.20111        4.6      1.2      1.1     6.0
  114   1   2  -6  40.052  80.103  1.19706        5.2      1.3      1.2     6.0
  115   1   5  -3  40.141  80.281  1.19485        8.8      2.2      2.1     6.0
  116   6   4   0  40.367  80.735  1.18928        6.9      1.8      1.6     6.1
  117   7   1   2  40.888  81.776  1.17674        4.7      1.2      1.1     6.1
  118   8   2  -5  41.737  83.474  1.15708        4.0      1.0      0.9     6.1
  119   4   5  -3  41.867  83.734  1.15415        5.0      1.3      1.2     6.1
  120   3   3  -6  42.164  84.328  1.14752       10.2      2.6      2.4     6.1
  121   4   3  -6  42.311  84.622  1.14429       11.3      2.9      2.6     6.1
  122   4   5   1  42.653  85.306  1.13685        7.2      1.8      1.7     6.1
  123   4   1  -7  42.945  85.89   1.13061        5.1      1.3      1.2     6.1
  124   5   3  -6  43.122  86.244  1.12688        7.1      1.8      1.6     6.1
  125   9   2  -4  43.185  86.369  1.12556        4.7      1.2      1.1     6.1
  126   6   2   3  43.447  86.894  1.12011       17.9      4.6      4.2     6.1
  127   9   2  -1  43.567  87.133  1.11765        5.1      1.3      1.2     6.2
  128   5   5  -3  43.767  87.533  1.11357        7.1      1.8      1.6     6.2
  129   8   2   1  44.091  88.182  1.10704        5.9      1.5      1.4     6.2
  130   4   3   4  44.271  88.542  1.10347       11.7      3.0      2.7     6.2
  131   6   1  -7  44.502  89.003  1.09894        4.7      1.2      1.1     6.2
  132   2   0   6  44.554  89.108  1.09792        5.7      1.5      1.3     6.2
  133   6   3  -6  44.594  89.187  1.09715        7.3      1.9      1.7     6.2
  134  10   0  -2  44.726  89.451  1.0946         4.1      1.1      0.9     6.2

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