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       ***
                  ***********************
PARATACAMITE

2, f-atacamite

Cu(2)(OH)(3)Cl


Hexagonal  R 3(-)  Z = 24

R3(-)

30 .8 .1907

Ref.Str.:

         M.E. Fleet (1975)

         * Acta Cryst., B 31, 183-187

Reserv:

         Ordered structure.  N.A.D.

                   Initial data from BDM-file 

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

             a =  13.654    alpha =   90.0 
             b =  13.654    beta  =   90.0 
             c =  14.041    gamma =  120.0 

    Unit cell volume (cub. angs.) =  2266.98

    Molar volume ( cub.cm/mol.) =    56.9 

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

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

   1 0.0     0.0     0.5      0.0    Cu    = 1.00
   2 0.5     0.5     0.5      0.0    Cu    = 1.00
   3 0.4133  0.3302  0.3318   0.0    Cu    = 1.00
   4 0.4119  0.5778  0.3326   0.0    Cu    = 1.00
   5 0.5593  0.618   0.4047   0.0    OH    = 1.00
   6 0.564   0.4322  0.3908   0.0    OH    = 1.00
   7 0.3666  0.4284  0.3905   0.0    OH    = 1.00
   8 0.0643  0.1255  0.3921   0.0    OH    = 1.00
   9 0.0     0.0     0.1954   0.0    Cl    = 1.00
  10 0.5004  0.5026  0.1933   0.0    Cl    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.5   
     2       2     0.5        0.5        0.5   
     3       3     0.4133     0.3302     0.3318
     4       4     0.4119     0.5778     0.3326
     5       5     0.5593     0.618      0.4047
     6       6     0.564      0.4322     0.3908
     7       7     0.3666     0.4284     0.3905
     8       8     0.0643     0.1255     0.3921
     9       9     0.0        0.0        0.1954
    10      10     0.5004     0.5026     0.1933
    11       2     0.5        0.0        0.5   
    12       2     0.0        0.5        0.5   
    13       3     0.6698     0.0831     0.3318
    14       3     0.9169     0.5867     0.3318
    15       4     0.4222     0.8341     0.3326
    16       4     0.1659     0.5881     0.3326
    17       5     0.382      0.9413     0.4047
    18       5     0.0587     0.4407     0.4047
    19       6     0.5678     0.1318     0.3908
    20       6     0.8682     0.436      0.3908
    21       7     0.5716     0.9382     0.3905
    22       7     0.0618     0.6334     0.3905
    23       8     0.8745     0.9388     0.3921
    24       8     0.0612     0.9357     0.3921
    25      10     0.4974     0.9978     0.1933
    26      10     0.0022     0.4996     0.1933
    27       1     0.6667     0.3333     0.8333
    28       1     0.3333     0.6667     0.1667
    29       2     0.1667     0.3333     0.8333
    30       2     0.3333     0.1667     0.1667
    31       3     0.3365     0.4164     0.6651
    32       3     0.2502     0.2534     0.9985
    33       4     0.0889     0.1674     0.6659
    34       4     0.4992     0.2548     0.9993
    35       5     0.0487     0.2746     0.738 
    36       5     0.392      0.1074     0.0714
    37       6     0.2345     0.4651     0.7241
    38       6     0.2015     0.1027     0.0575
    39       7     0.2383     0.2715     0.7238
    40       7     0.3951     0.3001     0.0572
    41       8     0.5412     0.2721     0.7254
    42       8     0.3945     0.6024     0.0588
    43       9     0.6667     0.3333     0.5287
    44       9     0.3333     0.6667     0.8621
    45      10     0.1641     0.3311     0.5266
    46      10     0.3355     0.1663     0.86  
    47       2     0.6667     0.8333     0.8333
    48       2     0.8333     0.1667     0.1667
    49       2     0.1667     0.8333     0.8333
    50       2     0.8333     0.6667     0.1667
    51       3     0.5836     0.92       0.6651
    52       3     0.7466     0.9969     0.9985
    53       3     0.08       0.6635     0.6651
    54       3     0.0031     0.7498     0.9985
    55       4     0.8326     0.9214     0.6659
    56       4     0.7452     0.2445     0.9993
    57       4     0.0786     0.9111     0.6659
    58       4     0.7555     0.5008     0.9993
    59       5     0.7254     0.774      0.738 
    60       5     0.8926     0.2847     0.0714
    61       5     0.226      0.9513     0.738 
    62       5     0.7153     0.608      0.0714
    63       6     0.5349     0.7693     0.7241
    64       6     0.8973     0.0989     0.0575
    65       6     0.2307     0.7655     0.7241
    66       6     0.9011     0.7984     0.0575
    67       7     0.7285     0.9667     0.7238
    68       7     0.6999     0.0951     0.0572
    69       7     0.0333     0.7617     0.7238
    70       7     0.9049     0.6048     0.0572
    71       8     0.7279     0.269      0.7254
    72       8     0.3976     0.7922     0.0588
    73       8     0.731      0.4588     0.7254
    74       8     0.2078     0.6054     0.0588
    75      10     0.6689     0.8329     0.5266
    76      10     0.8337     0.1693     0.86  
    77      10     0.1671     0.8359     0.5266
    78      10     0.8307     0.6644     0.86  
    79       3     0.5867     0.6698     0.6682
    80       4     0.5881     0.4222     0.6674
    81       5     0.4407     0.382      0.5953
    82       6     0.436      0.5678     0.6092
    83       7     0.6334     0.5716     0.6095
    84       8     0.9357     0.8745     0.6079
    85       9     0.0        0.0        0.8046
    86      10     0.4996     0.4974     0.8067
    87       3     0.3302     0.9169     0.6682
    88       3     0.0831     0.4133     0.6682
    89       4     0.5778     0.1659     0.6674
    90       4     0.8341     0.4119     0.6674
    91       5     0.618      0.0587     0.5953
    92       5     0.9413     0.5593     0.5953
    93       6     0.4322     0.8682     0.6092
    94       6     0.1318     0.564      0.6092
    95       7     0.4284     0.0618     0.6095
    96       7     0.9382     0.3666     0.6095
    97       8     0.1255     0.0612     0.6079
    98       8     0.9388     0.0643     0.6079
    99      10     0.5026     0.0022     0.8067
   100      10     0.9978     0.5004     0.8067
   101       3     0.6635     0.5836     0.3349
   102       3     0.7498     0.7466     0.0015
   103       4     0.9111     0.8326     0.3341
   104       4     0.5008     0.7452     0.0007
   105       5     0.9513     0.7254     0.262 
   106       5     0.608      0.8926     0.9286
   107       6     0.7655     0.5349     0.2759
   108       6     0.7985     0.8973     0.9425
   109       7     0.7617     0.7285     0.2762
   110       7     0.6049     0.6999     0.9428
   111       8     0.4588     0.7279     0.2746
   112       8     0.6055     0.3976     0.9412
   113       9     0.3333     0.6667     0.4713
   114       9     0.6667     0.3333     0.1379
   115      10     0.8359     0.6689     0.4734
   116      10     0.6645     0.8337     0.14  
   117       3     0.4164     0.08       0.3349
   118       3     0.2534     0.0031     0.0015
   119       3     0.92       0.3365     0.3349
   120       3     0.9969     0.2502     0.0015
   121       4     0.1674     0.0786     0.3341
   122       4     0.2548     0.7555     0.0007
   123       4     0.9214     0.0889     0.3341
   124       4     0.2445     0.4992     0.0007
   125       5     0.2746     0.226      0.262 
   126       5     0.1074     0.7153     0.9286
   127       5     0.774      0.0487     0.262 
   128       5     0.2847     0.392      0.9286
   129       6     0.4651     0.2307     0.2759
   130       6     0.1027     0.9011     0.9425
   131       6     0.7693     0.2345     0.2759
   132       6     0.0989     0.2016     0.9425
   133       7     0.2715     0.0333     0.2762
   134       7     0.3001     0.9049     0.9428
   135       7     0.9667     0.2383     0.2762
   136       7     0.0951     0.3952     0.9428
   137       8     0.2721     0.731      0.2746
   138       8     0.6024     0.2078     0.9412
   139       8     0.269      0.5412     0.2746
   140       8     0.7922     0.3946     0.9412
   141      10     0.3311     0.1671     0.4734
   142      10     0.1663     0.8307     0.14  
   143      10     0.8329     0.1641     0.4734
   144      10     0.1693     0.3356     0.14  


X-ray density (g/cm cub.)   =      3.75

MU (1/cm) =     194.508    Mass attenuation coefficient (cm**2/g) =     51.824

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

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

    1    Cu                  3.348        6
                                                 2.1209       8
                                                 2.1208       8
                                                 2.1209       8
                                                 2.1209       8
                                                 2.1208       8
                                                 2.1209       8
    2    Cu                  3.348        6
                                                 1.9332       5
                                                 2.1864       6
                                                 2.2038       7
                                                 1.9332       5
                                                 2.1864       6
                                                 2.2038       7
    3    Cu                  3.348        6
                                                 1.9985       6
                                                 1.9336       7
                                                 2.8174      10
                                                 1.9691       5
                                                 1.9816       6
                                                 2.77        10
    4    Cu                  3.348        6
                                                 2.0669       5
                                                 1.9857       7
                                                 2.7533      10
                                                 1.99         8
                                                 2.7777       9
                                                 1.9347       8
    5    OH                  3.852       10
                                                 2.577        6
                                                 2.6178       7
                                                 3.2669      10
                                                 3.0646      10
                                                 3.2241       6
                                                 3.2148       7
                                                 3.0005       7
                                                 3.0868       8
                                                 3.5895       9
                                                 3.6133      10
    6    OH                  3.852       10
                                                 2.577        5
                                                 2.6697       7
                                                 3.1942      10
                                                 3.0709       9
                                                 3.2241       5
                                                 3.4852       7
                                                 2.8782       6
                                                 3.6844      10
                                                 2.8782       6
                                                 3.6124      10
    7    OH                  3.852       10
                                                 2.6178       5
                                                 2.6697       6
                                                 3.1906      10
                                                 3.0647      10
                                                 3.2148       5
                                                 3.4852       6
                                                 3.6816       9
                                                 3.0005       5
                                                 2.9741       8
                                                 3.5487      10
    8    OH                  3.852       10
                                                 3.1354       9
                                                 2.5707       8
                                                 2.5707       8
                                                 3.0793      10
                                                 3.374        8
                                                 3.3741       8
                                                 3.0868       5
                                                 2.9741       7
                                                 3.5819      10
                                                 3.6362      10
    9    Cl                  4.344       18
                                                 3.1354       8
                                                 3.1354       8
                                                 3.1354       8
                                                 3.071        6
                                                 3.0711       6
                                                 3.0711       6
                                                 3.5895       5
                                                 4.2761       6
                                                 3.6815       7
                                                 4.043       10
                                                 3.5895       5
                                                 3.5894       5
                                                 4.2762       6
                                                 4.2762       6
                                                 3.6816       7
                                                 3.6815       7
                                                 4.0431      10
                                                 4.0433      10
   10    Cl                  4.344       17
                                                 3.2669       5
                                                 3.1942       6
                                                 3.1906       7
                                                 3.0648       7
                                                 3.0794       8
                                                 3.0645       5
                                                 3.6124       6
                                                 3.5487       7
                                                 4.2212       7
                                                 3.5819       8
                                                 4.3236       8
                                                 4.043        9
                                                 3.9865      10
                                                 3.6133       5
                                                 3.6844       6
                                                 3.6362       8
                                                 3.9862      10

  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   1  4.885   9.771   0.055  272.77    6        1.8        0.1
    2   1   1   0  6.478  12.957   0.073  154.14    6        3.8        0.3
    3   1   0  -2  7.331  14.662   0.083  119.88    6        3.5        0.2
    4   2   0  -1  8.127  16.253   0.092   97.14    6      631.3     4519.8
    5   0   0   3  9.473  18.945   0.107   70.91    2      498.1      684.8
    6   2   0   2  9.807  19.614   0.111   66.02    6      147.5      167.7
    7   1   2  -1 10.42   20.841   0.117   58.23    6       21.7        3.2
    8   2   1   1 10.42   20.841   0.117   58.23    6       10.6        0.8
    9   3   0   0 11.27   22.539   0.127   49.48    6       16.5        1.6
   10   1   1  -3 11.51   23.02    0.13    47.34    6       11.9        0.8
   11   1   1   3 11.51   23.02    0.13    47.34    6        1.4        0.0
   12   1   2   2 11.789  23.578   0.133   45.03    6       15.8        1.3
   13   2   1  -2 11.789  23.578   0.133   45.03    6       20.4        2.2
   14   2   2   0 13.042  26.083   0.146   36.42    6      264.6      297.6
   15   1   0   4 13.232  26.465   0.149   35.32    6        0.3        0.0
   16   1   3   1 13.957  27.914   0.157   31.54    6       33.4        4.1
   17   3   1  -1 13.957  27.914   0.157   31.54    6       38.7        5.5
   18   2   0  -4 14.785  29.571   0.166   27.89    6      155.6       78.9
   19   3   0  -3 14.803  29.606   0.166   27.82    6        1.7        0.0
   20   3   0   3 14.803  29.606   0.166   27.82    6       12.7        0.5
   21   1   3  -2 15.025  30.049   0.168   26.95    6       50.6        8.1
   22   3   1   2 15.025  30.049   0.168   26.95    6       39.5        4.9
   23   4   0   1 15.443  30.886   0.173   25.41    6      615.7     1124.5
   24   1   2  -4 16.202  32.404   0.181   22.91    6       47.9        6.1
   25   2   1   4 16.202  32.404   0.181   22.91    6       57.8        8.9
   26   2   2  -3 16.218  32.437   0.181   22.86    6      868.1     2011.2
   27   2   2   3 16.218  32.437   0.181   22.86    6      871.9     2029.0
   28   1   0  -5 16.375  32.75    0.183   22.39    6       16.5        0.7
   29   4   0  -2 16.423  32.846   0.184   22.25    6      582.2      880.4
   30   2   3  -1 16.81   33.62    0.188   21.15    6       12.0        0.4
   31   3   2   1 16.81   33.62    0.188   21.15    6       33.6        2.8
   32   1   4   0 17.368  34.737   0.194   19.7     6       35.8        3.0
   33   4   1   0 17.368  34.737   0.194   19.7     6        2.3        0.0
   34   2   0   5 17.678  35.356   0.197   18.95    6       74.0       12.1
   35   2   3   2 17.722  35.445   0.198   18.85    6        7.2        0.1
   36   3   2  -2 17.722  35.445   0.198   18.85    6       10.2        0.2
   37   1   3   4 18.749  37.499   0.209   16.65    6        9.1        0.2
   38   3   1  -4 18.749  37.499   0.209   16.65    6       21.1        0.9
   39   1   2   5 18.902  37.804   0.21    16.36    6        9.6        0.2
   40   2   1  -5 18.902  37.804   0.21    16.36    6       22.6        1.0
   41   0   0   6 19.218  38.435   0.214   15.77    2      997.2      610.4
   42   5   0  -1 19.287  38.573   0.214   15.65    6       10.0        0.2
   43   3   3   0 19.785  39.569   0.22    14.79    6       11.7        0.2
   44   4   0   4 19.917  39.834   0.221   14.57    6     1374.0     3211.5
   45   1   4  -3 19.93   39.861   0.221   14.55    6       57.0        5.5
   46   1   4   3 19.93   39.861   0.221   14.55    6       46.8        3.7
   47   4   1  -3 19.93   39.861   0.221   14.55    6        3.2        0.0
   48   4   1   3 19.93   39.861   0.221   14.55    6       46.9        3.7
   49   5   0   2 20.102  40.204   0.223   14.27    6        2.4        0.0
   50   1   1  -6 20.362  40.725   0.226   13.87    6       12.1        0.2
   51   1   1   6 20.362  40.725   0.226   13.87    6        7.0        0.1
   52   2   4   1 20.428  40.857   0.227   13.77    6      246.1       97.4
   53   4   2  -1 20.428  40.857   0.227   13.77    6      245.6       97.0
   54   2   3  -4 21.03   42.06    0.233   12.91    6       21.7        0.7
   55   3   2   4 21.03   42.06    0.233   12.91    6        3.7        0.0
   56   1   3  -5 21.169  42.337   0.234   12.72    6       22.1        0.7
   57   3   1   5 21.169  42.337   0.234   12.72    6       29.3        1.3
   58   2   4  -2 21.207  42.414   0.235   12.67    6       68.9        7.0
   59   4   2   2 21.207  42.414   0.235   12.67    6       69.0        7.0
   60   1   5  -1 21.52   43.039   0.238   12.26    6       45.3        2.9
   61   5   1   1 21.52   43.039   0.238   12.26    6       62.4        5.6
   62   3   3  -3 22.109  44.219   0.244   11.53    6       21.8        0.6
   63   3   3   3 22.109  44.219   0.244   11.53    6       19.8        0.5
   64   4   0  -5 22.23   44.461   0.246   11.39    6      629.5      527.0
   65   1   5   2 22.267  44.534   0.246   11.35    6        8.6        0.1
   66   5   1  -2 22.267  44.534   0.246   11.35    6       36.7        1.8
   67   3   0  -6 22.507  45.014   0.248   11.08    6       21.0        0.6
   68   3   0   6 22.507  45.014   0.248   11.08    6        6.8        0.1
   69   1   0   7 22.923  45.847   0.253   10.63    6       31.3        1.2
   70   6   0   0 23.007  46.015   0.254   10.54    6      108.7       14.5
   71   5   0  -4 23.125  46.249   0.255   10.42    6       27.1        0.9
   72   2   3   5 23.253  46.506   0.256   10.29    6       36.2        1.6
   73   3   2  -5 23.253  46.506   0.256   10.29    6       35.8        1.5
   74   2   2  -6 23.521  47.041   0.259   10.03    6      168.5       33.2
   75   2   2   6 23.521  47.041   0.259   10.03    6      164.8       31.8
   76   3   4  -1 23.579  47.159   0.26     9.97    6       38.0        1.7
   77   4   3   1 23.579  47.159   0.26     9.97    6       12.7        0.2
   78   2   0  -7 23.923  47.847   0.263    9.65    6      717.0      579.2
   79   2   5   0 24.005  48.009   0.264    9.58    6       26.3        0.8
   80   5   2   0 24.005  48.009   0.264    9.58    6       55.0        3.4
   81   2   4   4 24.118  48.236   0.265    9.47    6       62.1        4.3
   82   4   2  -4 24.118  48.236   0.265    9.47    6       59.9        4.0
   83   3   4   2 24.277  48.554   0.267    9.33    6       48.4        2.6
   84   4   3  -2 24.277  48.554   0.267    9.33    6       24.8        0.7
   85   1   2  -7 24.893  49.785   0.273    8.82    6       50.5        2.6
   86   2   1   7 24.893  49.785   0.273    8.82    6       36.6        1.4
   87   1   5  -4 25.082  50.163   0.275    8.67    6       18.5        0.3
   88   5   1   4 25.082  50.163   0.275    8.67    6       53.5        2.9
   89   6   0  -3 25.093  50.186   0.275    8.66    6      563.4      320.8
   90   6   0   3 25.093  50.186   0.275    8.66    6     1014.6     1040.3
   91   5   0   5 25.203  50.405   0.276    8.57    6        6.2        0.0
   92   1   6   1 25.51   51.02    0.28     8.34    6       26.7        0.7
   93   6   1  -1 25.51   51.02    0.28     8.34    6        4.8        0.0
   94   2   5  -3 26.03   52.06    0.285    7.96    6       15.8        0.2
   95   2   5   3 26.03   52.06    0.285    7.96    6       20.7        0.4
   96   5   2  -3 26.03   52.06    0.285    7.96    6       37.5        1.3
   97   5   2   3 26.03   52.06    0.285    7.96    6       34.4        1.1
   98   2   4  -5 26.137  52.274   0.286    7.89    6      337.2      104.8
   99   4   2   5 26.137  52.274   0.286    7.89    6      340.1      106.6
  100   1   6  -2 26.169  52.339   0.286    7.87    6       44.7        1.8
  101   6   1   2 26.169  52.339   0.286    7.87    6       12.7        0.1
  102   1   0  -8 26.339  52.678   0.288    7.75    6       19.6        0.3
  103   1   4  -6 26.382  52.765   0.288    7.72    6       57.9        3.0
  104   1   4   6 26.382  52.765   0.288    7.72    6       62.3        3.5
  105   4   1  -6 26.382  52.765   0.288    7.72    6       24.4        0.5
  106   4   1   6 26.382  52.765   0.288    7.72    6       56.2        2.9
  107   1   3   7 26.753  53.506   0.292    7.48    6       46.4        1.9
  108   3   1  -7 26.753  53.506   0.292    7.48    6       33.0        1.0
  109   4   4   0 26.828  53.656   0.293    7.43    6     1362.7     1611.7
  110   3   4  -4 26.933  53.866   0.294    7.37    6       50.2        2.2
  111   4   3   4 26.933  53.866   0.294    7.37    6       18.6        0.3
  112   1   5   5 27.048  54.096   0.295    7.3     6       43.7        1.6
  113   5   1  -5 27.048  54.096   0.295    7.3     6       14.1        0.2
  114   2   0   8 27.246  54.491   0.297    7.18    6      190.0       30.2
  115   3   5   1 27.341  54.681   0.298    7.12    6       68.6        3.9
  116   5   3  -1 27.341  54.681   0.298    7.12    6       55.9        2.6
  117   7   0   1 27.341  54.681   0.298    7.12    6       13.2        0.1
  118   4   0   7 27.65   55.3     0.301    6.94    6      541.8      237.9
  119   3   5  -2 27.97   55.939   0.304    6.76    6       79.0        4.9
  120   5   3   2 27.97   55.939   0.304    6.76    6       70.6        3.9
  121   7   0  -2 27.97   55.939   0.304    6.76    6        3.6        0.0
  122   1   2   8 28.132  56.264   0.306    6.67    6       15.6        0.2
  123   2   1  -8 28.132  56.264   0.306    6.67    6       20.5        0.3
  124   3   3  -6 28.173  56.347   0.306    6.65    6       23.5        0.4
  125   3   3   6 28.173  56.347   0.306    6.65    6       11.3        0.1
  126   2   6  -1 28.225  56.45    0.307    6.62    6      476.8      175.8
  127   6   2   1 28.225  56.45    0.307    6.62    6      468.9      170.0
  128   2   3  -7 28.528  57.056   0.31     6.47    6       10.4        0.1
  129   3   2   7 28.528  57.056   0.31     6.47    6       14.9        0.2
  130   1   6   4 28.7    57.401   0.312    6.38    6       21.6        0.3
  131   6   1  -4 28.7    57.401   0.312    6.38    6       46.9        1.6
  132   4   4  -3 28.711  57.421   0.312    6.37    6      331.1       81.6
  133   4   4   3 28.711  57.421   0.312    6.37    6      331.2       81.6
  134   3   4   5 28.811  57.622   0.313    6.32    6       52.5        2.0
  135   4   3  -5 28.811  57.622   0.313    6.32    6       12.0        0.1
  136   2   6   2 28.841  57.683   0.313    6.31    6      257.8       48.9
  137   6   2  -2 28.841  57.683   0.313    6.31    6      253.7       47.4
  138   1   7   0 29.459  58.919   0.319    6.01    6       60.1        2.5
  139   7   1   0 29.459  58.919   0.319    6.01    6       74.6        3.9
  140   0   0   9 29.586  59.173   0.32     5.96    2      228.4       12.1
  141   1   3  -8 29.853  59.705   0.323    5.84    6        2.8        0.0
  142   3   1   8 29.853  59.705   0.323    5.84    6       24.1        0.4
  143   5   0  -7 30.235  60.469   0.327    5.67    6        5.3        0.0
  144   3   5   4 30.401  60.801   0.328    5.61    6       69.7        3.2
  145   5   3  -4 30.401  60.801   0.328    5.61    6       58.6        2.2
  146   7   0   4 30.401  60.801   0.328    5.61    6       22.3        0.3
  147   1   1  -9 30.428  60.857   0.329    5.59    6       14.8        0.1
  148   1   1   9 30.428  60.857   0.329    5.59    6        1.5        0.0
  149   1   6  -5 30.507  61.014   0.33     5.56    6       54.4        1.9
  150   6   1   5 30.507  61.014   0.33     5.56    6       47.2        1.4
  151   4   0  -8 30.69   61.381   0.331    5.49    6      837.6      449.5
  152   6   0  -6 30.73   61.459   0.332    5.47    6      350.5       78.5
  153   6   0   6 30.73   61.459   0.332    5.47    6       56.9        2.1
  154   4   5  -1 30.779  61.557   0.332    5.45    6       19.3        0.2
  155   5   4   1 30.779  61.557   0.332    5.45    6       58.0        2.1
  156   2   4   7 31.066  62.132   0.335    5.34    6      741.8      343.2
  157   4   2  -7 31.066  62.132   0.335    5.34    6      747.3      348.3
  158   3   6   0 31.134  62.268   0.336    5.32    6       44.4        1.2
  159   6   3   0 31.134  62.268   0.336    5.32    6       13.4        0.1
  160   2   6  -4 31.23   62.459   0.337    5.28    6       63.6        2.5
  161   6   2   4 31.23   62.459   0.337    5.28    6       69.7        3.0
  162   1   7  -3 31.239  62.479   0.337    5.28    6       78.6        3.8
  163   1   7   3 31.239  62.479   0.337    5.28    6       51.6        1.6
  164   7   1  -3 31.239  62.479   0.337    5.28    6       79.4        3.9
  165   7   1   3 31.239  62.479   0.337    5.28    6       75.7        3.5
  166   4   5   2 31.364  62.727   0.338    5.23    6       38.8        0.9
  167   5   4  -2 31.364  62.727   0.338    5.23    6       29.0        0.5
  168   2   3   8 31.515  63.03    0.339    5.18    6       66.0        2.6
  169   3   2  -8 31.515  63.03    0.339    5.18    6       82.8        4.1
  170   2   5  -6 31.553  63.107   0.34     5.16    6       48.3        1.4
  171   2   5   6 31.553  63.107   0.34     5.16    6        2.7        0.0
  172   5   2  -6 31.553  63.107   0.34     5.16    6       30.0        0.5
  173   5   2   6 31.553  63.107   0.34     5.16    6        1.0        0.0
  174   8   0  -1 31.602  63.204   0.34     5.14    6      599.6      215.9
  175   1   5  -7 31.885  63.77    0.343    5.05    6        9.4        0.1
  176   5   1   7 31.885  63.77    0.343    5.05    6       42.9        1.1
  177   3   0  -9 32.073  64.146   0.345    4.98    6       15.3        0.1
  178   3   0   9 32.073  64.146   0.345    4.98    6       40.9        1.0
  179   3   5  -5 32.15   64.299   0.345    4.96    6       42.9        1.1
  180   5   3   5 32.15   64.299   0.345    4.96    6       24.4        0.3
  181   7   0  -5 32.15   64.299   0.345    4.96    6        3.8        0.0
  182   8   0   2 32.178  64.357   0.346    4.95    6      728.7      306.7
  183   2   7   1 32.413  64.826   0.348    4.87    6       69.5        2.7
  184   7   2  -1 32.413  64.826   0.348    4.87    6       51.5        1.5
  185   3   6  -3 32.861  65.722   0.352    4.73    6       48.7        1.3
  186   3   6   3 32.861  65.722   0.352    4.73    6       40.9        0.9
  187   6   3  -3 32.861  65.722   0.352    4.73    6       35.8        0.7
  188   6   3   3 32.861  65.722   0.352    4.73    6        9.1        0.0
  189   2   2  -9 32.878  65.757   0.352    4.72    6      439.1      106.3
  190   2   2   9 32.878  65.757   0.352    4.72    6      440.2      106.8
  191   2   6   5 32.954  65.908   0.353    4.7     6      255.9       35.9
  192   6   2  -5 32.954  65.908   0.353    4.7     6      256.4       36.1
  193   2   7  -2 32.982  65.964   0.353    4.69    6       17.5        0.2
  194   7   2   2 32.982  65.964   0.353    4.69    6       49.0        1.3
  195   5   0   8 33.129  66.259   0.355    4.65    6       21.4        0.2
  196   3   4  -7 33.49   66.98    0.358    4.54    6       63.2        2.1
  197   4   3   7 33.49   66.98    0.358    4.54    6       38.2        0.8
  198   1   0  10 33.535  67.07    0.359    4.53    6       22.0        0.3
  199   4   5  -4 33.647  67.294   0.36     4.5     6       10.3        0.1
  200   5   4   4 33.647  67.294   0.36     4.5     6       44.4        1.0
  201   2   4  -8 33.921  67.843   0.362    4.42    6      331.1       56.6
  202   4   2   8 33.921  67.843   0.362    4.42    6      335.6       58.1
  203   4   4  -6 33.959  67.917   0.363    4.41    6      972.4      486.8
  204   4   4   6 33.959  67.917   0.363    4.41    6      972.0      486.4
  205   1   8  -1 34.005  68.01    0.363    4.4     6       53.5        1.5
  206   8   1   1 34.005  68.01    0.363    4.4     6       45.0        1.0
  207   2   0 -10 34.323  68.645   0.366    4.31    6      283.5       40.5
  208   5   5   0 34.343  68.686   0.366    4.31    6       27.5        0.4
  209   8   0  -4 34.433  68.867   0.367    4.28    6     1016.0      516.4
  210   1   8   2 34.561  69.122   0.368    4.25    6       66.9        2.2
  211   8   1  -2 34.561  69.122   0.368    4.25    6       45.8        1.0
  212   1   5   8 34.705  69.41    0.37     4.22    6       46.3        1.1
  213   5   1  -8 34.705  69.41    0.37     4.22    6       11.7        0.1
  214   4   6   1 34.788  69.575   0.37     4.2     6      530.3      137.8
  215   6   4  -1 34.788  69.575   0.37     4.2     6      523.5      134.3
  216   1   6   7 35.058  70.115   0.373    4.13    6       14.2        0.1
  217   6   1  -7 35.058  70.115   0.373    4.13    6       12.4        0.1
  218   1   2 -10 35.102  70.203   0.373    4.12    6       34.6        0.6
  219   2   1  10 35.102  70.203   0.373    4.12    6       10.1        0.0
  220   2   7   4 35.211  70.423   0.374    4.09    6       57.4        1.6
  221   7   2  -4 35.211  70.423   0.374    4.09    6       81.9        3.2
  222   1   4  -9 35.237  70.474   0.375    4.09    6        3.9        0.0
  223   1   4   9 35.237  70.474   0.375    4.09    6       27.9        0.4
  224   4   1  -9 35.237  70.474   0.375    4.09    6       55.7        1.5
  225   4   1   9 35.237  70.474   0.375    4.09    6       17.6        0.1
  226   4   5   5 35.31   70.62    0.375    4.07    6        8.5        0.0
  227   5   4  -5 35.31   70.62    0.375    4.07    6       21.1        0.2
  228   4   6  -2 35.338  70.675   0.375    4.07    6      110.8        5.8
  229   6   4   2 35.338  70.675   0.375    4.07    6      107.1        5.4
  230   3   7  -1 35.562  71.124   0.378    4.01    6        6.9        0.0
  231   7   3   1 35.562  71.124   0.378    4.01    6       33.7        0.5
  232   9   0   0 35.893  71.786   0.381    3.94    6       32.4        0.5
  233   5   5  -3 35.991  71.982   0.381    3.92    6       53.9        1.3
  234   5   5   3 35.991  71.982   0.381    3.92    6        9.0        0.0
  235   8   0   5 36.08   72.16    0.382    3.9     6      558.7      142.2
  236   3   7   2 36.107  72.214   0.383    3.9     6       18.9        0.2
  237   7   3  -2 36.107  72.214   0.383    3.9     6       31.8        0.5
  238   3   4   8 36.248  72.496   0.384    3.87    6       24.6        0.3
  239   4   3  -8 36.248  72.496   0.384    3.87    6        0.5        0.0
  240   1   7  -6 36.284  72.569   0.384    3.86    6       59.3        1.6
  241   1   7   6 36.284  72.569   0.384    3.86    6       61.8        1.7
  242   7   1  -6 36.284  72.569   0.384    3.86    6       91.4        3.8
  243   7   1   6 36.284  72.569   0.384    3.86    6       43.9        0.9
  244   3   5   7 36.595  73.189   0.387    3.8     6       33.9        0.5
  245   5   3  -7 36.595  73.189   0.387    3.8     6       78.8        2.8
  246   7   0   7 36.595  73.189   0.387    3.8     6       15.4        0.1
  247   1   3  10 36.638  73.276   0.387    3.79    6       45.0        0.9
  248   3   1 -10 36.638  73.276   0.387    3.79    6       57.3        1.5
  249   2   8   0 36.658  73.315   0.388    3.79    6      212.6       20.0
  250   8   2   0 36.658  73.315   0.388    3.79    6      201.0       17.9
  251   1   8  -4 36.746  73.492   0.388    3.77    6       48.0        1.0
  252   8   1   4 36.746  73.492   0.388    3.77    6       32.4        0.5
  253   3   3  -9 36.771  73.542   0.389    3.76    6        8.6        0.0
  254   3   3   9 36.771  73.542   0.389    3.76    6       30.1        0.4
  255   2   7  -5 36.843  73.686   0.389    3.75    6       32.3        0.5
  256   7   2   5 36.843  73.686   0.389    3.75    6       29.1        0.4
  257   2   6  -7 37.354  74.707   0.394    3.66    6      514.7      113.0
  258   6   2   7 37.354  74.707   0.394    3.66    6      513.1      112.3
  259   1   0 -11 37.37   74.74    0.394    3.65    6        1.9        0.0
  260   4   0  10 37.397  74.793   0.394    3.65    6     1057.0      475.7
  261   4   6   4 37.504  75.007   0.395    3.63    6      120.8        6.2
  262   6   4  -4 37.504  75.007   0.395    3.63    6      112.1        5.3
  263   9   0  -3 37.513  75.025   0.395    3.63    6       15.7        0.1
  264   9   0   3 37.513  75.025   0.395    3.63    6       23.8        0.2
  265   1   6  -8 37.766  75.532   0.398    3.58    6       45.3        0.9
  266   6   1   8 37.766  75.532   0.398    3.58    6       51.6        1.1
  267   3   6  -6 37.801  75.603   0.398    3.58    6       43.2        0.8
  268   3   6   6 37.801  75.603   0.398    3.58    6       50.9        1.1
  269   6   3  -6 37.801  75.603   0.398    3.58    6        4.1        0.0
  270   6   3   6 37.801  75.603   0.398    3.58    6       24.5        0.2
  271   2   0  11 38.123  76.247   0.401    3.52    6      374.2       57.6
  272   2   3 -10 38.15   76.3     0.401    3.52    6        0.1        0.0
  273   3   2  10 38.15   76.3     0.401    3.52    6        3.4        0.0
  274   3   7  -4 38.256  76.512   0.402    3.5     6        6.0        0.0
  275   7   3   4 38.256  76.512   0.402    3.5     6       29.9        0.4
  276   2   8  -3 38.265  76.53    0.402    3.5     6      543.4      120.7
  277   2   8   3 38.265  76.53    0.402    3.5     6      674.5      186.0
  278   8   2  -3 38.265  76.53    0.402    3.5     6      688.5      193.8
  279   8   2   3 38.265  76.53    0.402    3.5     6      549.2      123.3
  280   1   8   5 38.352  76.704   0.403    3.49    6       61.8        1.6
  281   8   1  -5 38.352  76.704   0.403    3.49    6       61.3        1.5
  282   1   9   1 38.596  77.192   0.405    3.45    6       54.0        1.2
  283   5   6  -1 38.596  77.192   0.405    3.45    6       56.9        1.3
  284   6   5   1 38.596  77.192   0.405    3.45    6       41.6        0.7
  285   9   1  -1 38.596  77.192   0.405    3.45    6       19.2        0.1
  286   1   2  11 38.872  77.744   0.407    3.41    6       32.1        0.4
  287   2   1 -11 38.872  77.744   0.407    3.41    6       48.2        0.9
  288   4   7   0 38.918  77.835   0.408    3.4     6       17.0        0.1
  289   7   4   0 38.918  77.835   0.408    3.4     6       56.9        1.3
  290   6   0  -9 39.029  78.058   0.409    3.39    6      400.6       63.4
  291   6   0   9 39.029  78.058   0.409    3.39    6      294.6       34.3
  292   4   6  -5 39.099  78.198   0.409    3.38    6       63.3        1.6
  293   6   4   5 39.099  78.198   0.409    3.38    6       60.9        1.5
  294   1   9  -2 39.126  78.251   0.41     3.37    6       14.9        0.1
  295   5   6   2 39.126  78.251   0.41     3.37    6       39.8        0.6
  296   6   5  -2 39.126  78.251   0.41     3.37    6       70.8        2.0
  297   9   1   2 39.126  78.251   0.41     3.37    6       52.7        1.1
  298   3   5  -8 39.263  78.526   0.411    3.35    6       38.3        0.6
  299   5   3   8 39.263  78.526   0.411    3.35    6        7.1        0.0
  300   7   0  -8 39.263  78.526   0.411    3.35    6       17.2        0.1
  301   4   5  -7 39.6    79.201   0.414    3.31    6       31.1        0.4
  302   5   4   7 39.6    79.201   0.414    3.31    6       54.5        1.1
  303   5   0 -10 39.643  79.285   0.414    3.3     6        1.8        0.0
  304   2   5  -9 39.772  79.545   0.415    3.28    6       21.8        0.2
  305   2   5   9 39.772  79.545   0.415    3.28    6       33.4        0.4
  306   5   2  -9 39.772  79.545   0.415    3.28    6       50.3        1.0
  307   5   2   9 39.772  79.545   0.415    3.28    6       32.4        0.4
  308   3   7   5 39.842  79.685   0.416    3.27    6       18.3        0.1
  309   7   3  -5 39.842  79.685   0.416    3.27    6        3.7        0.0
  310   2   6   8 40.005  80.011   0.417    3.25    6      131.8        6.6
  311   6   2  -8 40.005  80.011   0.417    3.25    6      132.5        6.7
  312   3   8   1 40.084  80.168   0.418    3.24    6       63.7        1.5
  313   8   3  -1 40.084  80.168   0.418    3.24    6       63.4        1.5
  314   8   0  -7 40.341  80.682   0.42     3.21    6      301.4       34.1
  315   1   3 -11 40.357  80.714   0.42     3.21    6       39.2        0.6
  316   3   1  11 40.357  80.714   0.42     3.21    6       19.0        0.1
  317   2   4  10 40.383  80.766   0.421    3.21    6      103.2        4.0
  318   4   2 -10 40.383  80.766   0.421    3.21    6       97.1        3.5
  319   4   7  -3 40.497  80.993   0.422    3.19    6       29.5        0.3
  320   4   7   3 40.497  80.993   0.422    3.19    6       49.0        0.9
  321   7   4  -3 40.497  80.993   0.422    3.19    6       45.0        0.8
  322   7   4   3 40.497  80.993   0.422    3.19    6       60.8        1.4
  323   3   8  -2 40.608  81.217   0.422    3.18    6       50.4        0.9
  324   8   3   2 40.608  81.217   0.422    3.18    6       12.3        0.1
  325   5   5  -6 40.779  81.559   0.424    3.16    6       18.8        0.1
  326   5   5   6 40.779  81.559   0.424    3.16    6       26.8        0.3
  327  10   0   1 40.823  81.646   0.424    3.16    6      165.6       10.1
  328   2   7   7 41.079  82.158   0.427    3.13    6       42.6        0.7
  329   7   2  -7 41.079  82.158   0.427    3.13    6       53.6        1.1
  330   4   0 -11 41.095  82.189   0.427    3.13    6      694.2      176.0
  331   1   5 -10 41.121  82.241   0.427    3.13    6        2.2        0.0
  332   5   1  10 41.121  82.241   0.427    3.13    6       12.5        0.1
  333   0   0  12 41.171  82.343   0.427    3.12    2      726.3       64.1
  334   1   9   4 41.225  82.45    0.428    3.11    6       14.2        0.1
  335   5   6  -4 41.225  82.45    0.428    3.11    6       52.4        1.0
  336   6   5   4 41.225  82.45    0.428    3.11    6       41.4        0.6
  337   9   1  -4 41.225  82.45    0.428    3.11    6       18.1        0.1
  338  10   0  -2 41.345  82.69    0.429    3.1     6        6.3        0.0
  339   2   9  -1 41.559  83.117   0.431    3.08    6       31.9        0.4
  340   9   2   1 41.559  83.117   0.431    3.08    6       36.1        0.5
  341   2   3  11 41.83   83.659   0.433    3.05    6       55.1        1.1
  342   3   2 -11 41.83   83.659   0.433    3.05    6       80.0        2.3
  343   1   1 -12 41.906  83.812   0.434    3.05    6        9.6        0.0
  344   1   1  12 41.906  83.812   0.434    3.05    6       57.9        1.2
  345   4   4  -9 41.984  83.968   0.434    3.04    6      327.4       38.0
  346   4   4   9 41.984  83.968   0.434    3.04    6      326.7       37.9
  347   2   9   2 42.079  84.158   0.435    3.03    6       29.9        0.3
  348   9   2  -2 42.079  84.158   0.435    3.03    6       51.3        0.9
  349   4   5   8 42.214  84.429   0.436    3.02    6        1.9        0.0
  350   5   4  -8 42.214  84.429   0.436    3.02    6       31.7        0.4
  351   9   0  -6 42.249  84.498   0.436    3.02    6        9.5        0.0
  352   9   0   6 42.249  84.498   0.436    3.02    6       28.9        0.3
  353   1   8  -7 42.547  85.094   0.439    2.99    6       70.2        1.7
  354   8   1   7 42.547  85.094   0.439    2.99    6       82.6        2.4
  355   3   4 -10 42.589  85.177   0.439    2.99    6       32.4        0.4
  356   4   3  10 42.589  85.177   0.439    2.99    6       57.6        1.2
  357   6   6   0 42.607  85.215   0.439    2.99    6      335.1       39.1
  358   3   8   4 42.692  85.384   0.44     2.98    6       64.5        1.4
  359   8   3  -4 42.692  85.384   0.44     2.98    6       28.5        0.3
  360   1   9  -5 42.786  85.571   0.441    2.97    6       33.3        0.4
  361   5   6   5 42.786  85.571   0.441    2.97    6       47.6        0.8
  362   6   5  -5 42.786  85.571   0.441    2.97    6       16.7        0.1
  363   9   1   5 42.786  85.571   0.441    2.97    6       62.9        1.4
  364   8   0   8 42.946  85.893   0.442    2.96    6      597.5      123.3
  365   2   8  -6 42.981  85.962   0.443    2.96    6      159.6        8.8
  366   2   8   6 42.981  85.962   0.443    2.96    6       61.0        1.3
  367   8   2  -6 42.981  85.962   0.443    2.96    6       50.4        0.9
  368   8   2   6 42.981  85.962   0.443    2.96    6      157.5        8.6
  369   5   7   1 43.024  86.048   0.443    2.95    6       64.5        1.4
  370   7   5  -1 43.024  86.048   0.443    2.95    6       76.6        2.0
  371   4   6   7 43.278  86.556   0.445    2.93    6      519.2       92.3
  372   6   4  -7 43.278  86.556   0.445    2.93    6      512.4       89.9
  373   5   0  11 43.294  86.588   0.445    2.93    6       49.4        0.8
  374   1  10   0 43.339  86.677   0.445    2.93    6       27.6        0.3
  375  10   1   0 43.339  86.677   0.445    2.93    6       25.5        0.2
  376   3   0 -12 43.37   86.74    0.446    2.93    6        0.1        0.0
  377   3   0  12 43.37   86.74    0.446    2.93    6       13.0        0.1
  378  10   0   4 43.423  86.847   0.446    2.92    6       53.2        1.0
  379   5   7  -2 43.542  87.085   0.447    2.91    6       40.4        0.6
  380   7   5   2 43.542  87.085   0.447    2.91    6       52.7        0.9
  381   2   7  -8 43.677  87.354   0.448    2.91    6       36.9        0.5
  382   7   2   8 43.677  87.354   0.448    2.91    6       13.2        0.1
  383   4   8  -1 43.755  87.509   0.449    2.9     6      409.0       56.6
  384   8   4   1 43.755  87.509   0.449    2.9     6      410.1       56.9
  385   3   7  -7 44.008  88.017   0.451    2.88    6       28.0        0.3
  386   7   3   7 44.008  88.017   0.451    2.88    6       11.4        0.0
  387   2   4 -11 44.024  88.048   0.451    2.88    6      311.9       32.7
  388   4   2  11 44.024  88.048   0.451    2.88    6      315.6       33.5
  389   1   6  10 44.05   88.1     0.451    2.88    6       14.7        0.1
  390   6   1 -10 44.05   88.1     0.451    2.88    6        5.0        0.0
  391   2   2 -12 44.1    88.2     0.452    2.88    6       81.3        2.2
  392   2   2  12 44.1    88.2     0.452    2.88    6       80.4        2.2
  393   2   9  -4 44.153  88.307   0.452    2.87    6        0.4        0.0
  394   9   2   4 44.153  88.307   0.452    2.87    6       64.8        1.4
  395   6   6  -3 44.162  88.324   0.452    2.87    6      519.5       90.6
  396   6   6   3 44.162  88.324   0.452    2.87    6      523.5       92.0
  397   1   7  -9 44.178  88.355   0.452    2.87    6       36.2        0.4
  398   1   7   9 44.178  88.355   0.452    2.87    6        4.2        0.0
  399   7   1  -9 44.178  88.355   0.452    2.87    6       74.7        1.9
  400   7   1   9 44.178  88.355   0.452    2.87    6       33.5        0.4
  401   3   8  -5 44.247  88.493   0.453    2.87    6       36.5        0.4
  402   8   3   5 44.247  88.493   0.453    2.87    6       15.9        0.1
  403   4   8   2 44.272  88.545   0.453    2.87    6      648.2      140.7
  404   8   4  -2 44.272  88.545   0.453    2.87    6      649.2      141.1
  405   1   5  11 44.754  89.507   0.457    2.84    6       35.5        0.4
  406   5   1 -11 44.754  89.507   0.457    2.84    6       20.2        0.1
  407   3   9   0 44.798  89.597   0.457    2.84    6       87.3        2.5
  408   9   3   0 44.798  89.597   0.457    2.84    6       80.8        2.2
  409   1  10  -3 44.891  89.783   0.458    2.83    6       38.5        0.5
  410   1  10   3 44.891  89.783   0.458    2.83    6       35.4        0.4
  411  10   1  -3 44.891  89.783   0.458    2.83    6        1.2        0.0
  412  10   1   3 44.891  89.783   0.458    2.83    6        5.5        0.0
  413  10   0  -5 44.976  89.952   0.459    2.83    6      261.1       22.5


  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   2   0   1   8.127  16.253  5.44899     4519.8    100.0    100.0     5.6
    2   0   0   3   9.473  18.945  4.68033      684.8     15.2     15.1     5.6
    3   2   0   2   9.807  19.614  4.52231      167.7      3.7      3.7     5.6
    4   2   2   0  13.042  26.083  3.4135       297.6      6.6      6.5     5.6
    5   2   0   4  14.785  29.571  3.01835       79.4      1.8      1.7     5.6
    6   4   0   1  15.443  30.886  2.89276     1124.5     24.9     24.6     5.6
    7   2   2   3  16.218  32.437  2.75792     4055.2     89.7     88.6     5.6
    8   4   0   2  16.423  32.846  2.72449      880.4     19.5     19.2     5.6
    9   0   0   6  19.218  38.435  2.34017      610.4     13.5     13.3     5.7
   10   4   0   4  19.917  39.834  2.26116     3224.5     71.3     70.0     5.7
   11   2   4   1  20.428  40.857  2.20689      194.3      4.3      4.2     5.7
   12   4   0   5  22.23   44.461  2.036        527.0     11.7     11.4     5.7
   13   2   2   6  23.521  47.041  1.93014       65.0      1.4      1.4     5.7
   14   2   0   7  23.923  47.847  1.89952      579.2     12.8     12.5     5.7
   15   6   0   3  25.093  50.186  1.81633     1364.0     30.2     29.3     5.7
   16   4   2   5  26.137  52.274  1.74859      211.3      4.7      4.5     5.8
   17   4   4   0  26.828  53.656  1.70675     1611.7     35.7     34.4     5.8
   18   4   0   7  27.65   55.3    1.65983      237.9      5.3      5.1     5.8
   19   2   6   1  28.225  56.45   1.62872      345.9      7.7      7.4     5.8
   20   4   4   3  28.711  57.421  1.60346      164.8      3.6      3.5     5.8
   21   2   6   2  28.841  57.683  1.59681       96.3      2.1      2.0     5.8
   22   4   0   8  30.69   61.381  1.50918      449.5      9.9      9.5     5.8
   23   6   0   6  30.73   61.459  1.50744       80.6      1.8      1.7     5.8
   24   4   2   7  31.066  62.132  1.49271      691.6     15.3     14.6     5.8
   25   8   0   1  31.602  63.204  1.46997      215.9      4.8      4.6     5.9
   26   8   0   2  32.178  64.357  1.44638      308.1      6.8      6.5     5.9
   27   2   2   9  32.878  65.757  1.41894      216.1      4.8      4.5     5.9
   28   6   2   5  32.954  65.908  1.41605       73.5      1.6      1.5     5.9
   29   4   2   8  33.921  67.843  1.38029      114.7      2.5      2.4     5.9
   30   4   4   6  33.959  67.917  1.37896      973.2     21.5     20.4     5.9
   31   8   0   4  34.433  68.867  1.36225      516.4     11.4     10.8     5.9
   32   4   6   1  34.788  69.575  1.3501       272.0      6.0      5.7     5.9
   33   8   0   5  36.08   72.16   1.30797      142.8      3.2      3.0     5.9
   34   2   6   7  37.354  74.707  1.26955      225.4      5.0      4.7     6.0
   35   4   0  10  37.397  74.793  1.26831      475.7     10.5      9.8     6.0
   36   2   0  11  38.123  76.247  1.24771       57.6      1.3      1.2     6.0
   37   8   2   3  38.265  76.53   1.24379      623.7     13.8     12.8     6.0
   38   6   0   9  39.029  78.058  1.22323       97.7      2.2      2.0     6.0
   39   4   0  11  41.095  82.189  1.17188      177.0      3.9      3.6     6.1
   40   0   0  12  41.171  82.343  1.17008       64.1      1.4      1.3     6.1
   41   4   4   9  41.984  83.968  1.15152       75.9      1.7      1.5     6.1
   42   8   0   8  42.946  85.893  1.13058      123.3      2.7      2.5     6.1
   43   4   6   7  43.278  86.556  1.12361      183.1      4.1      3.7     6.1
   44   8   4   1  43.755  87.509  1.11381      113.6      2.5      2.3     6.2
   45   4   2  11  44.024  88.048  1.10838       66.3      1.5      1.3     6.2
   46   7   1   9  44.178  88.355  1.10532      186.7      4.1      3.7     6.2
   47   8   4   2  44.272  88.545  1.10344      281.8      6.2      5.6     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)