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       ***
                  ***********************
ZOISITE

1, t-zoisite, f-epidote

Ca(2)Al(3)[Si(3)O(12)]OH


Orthorhombic  P nma  Z = 4

Pnma

31 .5 .1988

Ref.Str.:

         Dollase W.A. (1968)

         * Amer. Mineral., 53, 1882-1898

                   Initial data from BDM-file 

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

             a =  16.212    alpha =   90.0 
             b =   5.559    beta  =   90.0 
             c =  10.036    gamma =   90.0 

    Unit cell volume (cub. angs.) =   904.47

    Molar volume ( cub.cm/mol.) =   136.2 

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

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

   1 0.3667  0.25    0.4376   0.0    Ca    = 1.00
   2 0.4518  0.25    0.115    0.0    Ca    = 1.00
   3 0.0816  0.25    0.1064   0.0    Si    = 1.00
   4 0.4104  0.75    0.2821   0.0    Si    = 1.00
   5 0.1601  0.25    0.4356   0.0    Si    = 1.00
   6 0.2496  0.9971  0.1899   0.0    Al    = 1.00
   7 0.1054  0.75    0.3006   0.0    Al    = 1.00
   8 0.1317  0.0     0.1451   0.0    O     = 1.00
   9 0.1012  0.015   0.43     0.0    O     = 1.00
  10 0.3584  0.99    0.2452   0.0    O     = 1.00
  11 0.2178  0.75    0.301    0.0    O     = 1.00
  12 0.2273  0.25    0.312    0.0    O     = 1.00
  13 0.2713  0.75    0.06     0.0    O     = 1.00
  14 0.9905  0.25    0.164    0.0    O     = 1.00
  15 0.9954  0.75    0.295    0.0    O     = 1.00
  16 0.4209  0.75    0.443    0.0    O     = 1.00
  17 0.268   0.25    0.074    0.0    O     = 1.00
  18 0.26    0.25    0.95     0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3667     0.25       0.4376
     2       2     0.4518     0.25       0.115 
     3       3     0.0816     0.25       0.1064
     4       4     0.4104     0.75       0.2821
     5       5     0.1601     0.25       0.4356
     6       6     0.2496     0.9971     0.1899
     7       7     0.1054     0.75       0.3006
     8       8     0.1317     0.0        0.1451
     9       9     0.1012     0.015      0.43  
    10      10     0.3584     0.99       0.2452
    11      11     0.2178     0.75       0.301 
    12      12     0.2273     0.25       0.312 
    13      13     0.2713     0.75       0.06  
    14      14     0.9905     0.25       0.164 
    15      15     0.9954     0.75       0.295 
    16      16     0.4209     0.75       0.443 
    17      17     0.268      0.25       0.074 
    18      18     0.26       0.25       0.95  
    19       1     0.1333     0.75       0.9376
    20       2     0.0482     0.75       0.615 
    21       3     0.4184     0.75       0.6064
    22       4     0.0896     0.25       0.7821
    23       5     0.3399     0.75       0.9356
    24       6     0.2504     0.0029     0.6899
    25       7     0.3946     0.25       0.8006
    26       8     0.3683     0.0        0.6451
    27       9     0.3988     0.985      0.93  
    28      10     0.1416     0.01       0.7452
    29      11     0.2822     0.25       0.801 
    30      12     0.2727     0.75       0.812 
    31      13     0.2287     0.25       0.56  
    32      14     0.5095     0.75       0.664 
    33      15     0.5046     0.25       0.795 
    34      16     0.0791     0.25       0.943 
    35      17     0.232      0.75       0.574 
    36      18     0.24       0.75       0.45  
    37       6     0.2504     0.4971     0.6899
    38       8     0.3683     0.5        0.6451
    39       9     0.3988     0.515      0.93  
    40      10     0.1416     0.49       0.7452
    41       6     0.2496     0.5029     0.1899
    42       8     0.1317     0.5        0.1451
    43       9     0.1012     0.485      0.43  
    44      10     0.3584     0.51       0.2452
    45       1     0.8667     0.25       0.0624
    46       2     0.9518     0.25       0.385 
    47       3     0.5816     0.25       0.3936
    48       4     0.9104     0.75       0.2179
    49       5     0.6601     0.25       0.0644
    50       6     0.7496     0.9971     0.3101
    51       7     0.6054     0.75       0.1994
    52       8     0.6317     0.0        0.3549
    53       9     0.6012     0.015      0.07  
    54      10     0.8584     0.99       0.2548
    55      11     0.7178     0.75       0.199 
    56      12     0.7273     0.25       0.188 
    57      13     0.7713     0.75       0.44  
    58      14     0.4905     0.25       0.336 
    59      15     0.4954     0.75       0.205 
    60      16     0.9209     0.75       0.057 
    61      17     0.768      0.25       0.426 
    62      18     0.76       0.25       0.55  
    63       1     0.6333     0.75       0.5624
    64       2     0.5482     0.75       0.885 
    65       3     0.9184     0.75       0.8936
    66       4     0.5896     0.25       0.7179
    67       5     0.8399     0.75       0.5644
    68       6     0.7504     0.0029     0.8101
    69       7     0.8946     0.25       0.6994
    70       8     0.8683     0.0        0.8549
    71       9     0.8988     0.985      0.57  
    72      10     0.6416     0.01       0.7548
    73      11     0.7822     0.25       0.699 
    74      12     0.7727     0.75       0.688 
    75      13     0.7287     0.25       0.94  
    76      14     0.0095     0.75       0.836 
    77      15     0.0046     0.25       0.705 
    78      16     0.5791     0.25       0.557 
    79      17     0.732      0.75       0.926 
    80      18     0.74       0.75       0.05  
    81       6     0.7504     0.4971     0.8101
    82       8     0.8683     0.5        0.8549
    83       9     0.8988     0.515      0.57  
    84      10     0.6416     0.49       0.7548
    85       6     0.7496     0.5029     0.3101
    86       8     0.6317     0.5        0.3549
    87       9     0.6012     0.485      0.07  
    88      10     0.8584     0.51       0.2548


X-ray density (g/cm cub.)   =      3.34

MU (1/cm) =     179.261    Mass attenuation coefficient (cm**2/g) =     53.742

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

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

    1    Ca                  2.88         7
                                                 2.4157      10
                                                 2.5877      12
                                                 2.5037       8
                                                 2.5523      13
                                                 2.5037       8
                                                 2.4157      10
                                                 2.2512      14
    2    Ca                  2.88         7
                                                 2.4676      10
                                                 2.521        9
                                                 2.521        9
                                                 2.4676      10
                                                 2.7887       9
                                                 2.305       14
                                                 2.7887       9
    3    Si                  2.1          4
                                                 1.6559       8
                                                 1.586       14
                                                 1.6404      16
                                                 1.6559       8
    4    Si                  2.1          4
                                                 1.6211      10
                                                 1.6237      16
                                                 1.6211      10
                                                 1.5804      15
    5    Si                  2.1          4
                                                 1.6191       9
                                                 1.6509      12
                                                 1.672       13
                                                 1.6191       9
    6    Al                  2.316        6
                                                 1.9636       8
                                                 1.8495      10
                                                 1.8428      11
                                                 1.8997      12
                                                 1.9262      13
                                                 1.8489      17
    7    Al                  2.316        6
                                                 2.1328       8
                                                 1.965        9
                                                 1.8222      11
                                                 1.7842      15
                                                 2.1328       8
                                                 1.965        9
    8    O                   3.264       10
                                                 2.9029       9
                                                 2.5155      11
                                                 2.6719      12
                                                 2.7898      13
                                                 2.6847      14
                                                 3.0129      15
                                                 2.7062      17
                                                 2.6024      16
                                                 2.7795       8
                                                 2.7795       8
    9    O                   3.264        9
                                                 2.9029       8
                                                 2.7239      11
                                                 2.6997      12
                                                 2.6359      15
                                                 3.2306      10
                                                 2.7715      13
                                                 2.9589      17
                                                 2.6127       9
                                                 2.9463       9
   10    O                   3.264       10
                                                 2.6999      11
                                                 2.6563      12
                                                 2.6886      13
                                                 2.5976      16
                                                 2.6812      17
                                                 3.2306       9
                                                 2.8907      10
                                                 2.6683      10
                                                 2.7397      14
                                                 2.6222      15
   11    O                   3.264       10
                                                 2.5155       8
                                                 2.7239       9
                                                 2.6999      10
                                                 2.786       12
                                                 2.786       12
                                                 2.5695      13
                                                 2.7495      17
                                                 2.5155       8
                                                 2.7239       9
                                                 2.6999      10
   12    O                   3.264       10
                                                 2.6719       8
                                                 2.6997       9
                                                 2.6563      10
                                                 2.786       11
                                                 2.786       11
                                                 2.478       17
                                                 2.489       13
                                                 2.6719       8
                                                 2.6997       9
                                                 2.6563      10
   13    O                   3.264       10
                                                 2.7898       8
                                                 2.6886      10
                                                 2.5695      11
                                                 2.7836      17
                                                 2.7836      17
                                                 2.7715       9
                                                 2.489       12
                                                 2.7715       9
                                                 2.7898       8
                                                 2.6886      10
   14    O                   3.264        9
                                                 2.6847       8
                                                 3.0758      15
                                                 3.0758      15
                                                 2.6424      16
                                                 2.6847       8
                                                 2.7397      10
                                                 3.1862      16
                                                 3.1862      16
                                                 2.7397      10
   15    O                   3.264        9
                                                 3.0129       8
                                                 2.6359       9
                                                 3.0758      14
                                                 3.0758      14
                                                 3.0129       8
                                                 2.6359       9
                                                 2.6222      10
                                                 2.6766      16
                                                 2.6222      10
   16    O                   3.264        8
                                                 2.5976      10
                                                 2.6024       8
                                                 2.6424      14
                                                 2.6024       8
                                                 2.5976      10
                                                 3.1862      14
                                                 3.1862      14
                                                 2.6766      15
   17    O                   3.264       10
                                                 2.7062       8
                                                 2.6812      10
                                                 2.478       12
                                                 2.7836      13
                                                 2.7836      13
                                                 2.9589       9
                                                 2.7495      11
                                                 2.9589       9
                                                 2.7062       8
                                                 2.6812      10
   18    H                   1.632        2
                                                 1.2512      17
                                                 1.5381      11

  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  5.179  10.358   0.059  242.47    4        1.2        0.2
    2   2   0   0  5.453  10.906   0.062  218.51    2       47.5      120.7
    3   2   0   1  7.016  14.032   0.079  131.08    4        1.6        0.2
    4   0   0   2  8.83   17.66    0.1     81.94    2       99.1      196.9
    5   0   1   1  9.114  18.228   0.103   76.78    4       16.5       10.2
    6   1   0   2  9.247  18.494   0.104   74.53    4       23.6       20.4
    7   3   0   1  9.317  18.633   0.105   73.39    4        5.5        1.1
    8   1   1   1  9.519  19.038   0.107   70.21    8       29.1       58.2
    9   2   1   0  9.673  19.345   0.109   67.93    4        5.3        0.9
   10   2   0   2 10.401  20.802   0.117   58.45    4       29.6       25.1
   11   2   1   1 10.645  21.289   0.12    55.71    8        4.3        1.0
   12   4   0   0 10.956  21.912   0.123   52.47    2       88.5      100.5
   13   4   0   1 11.827  23.655   0.133   44.72    4       52.7       60.6
   14   3   0   2 12.092  24.183   0.136   42.7     4       65.8       90.4
   15   1   1   2 12.25   24.5     0.138   41.55    8       14.5        8.6
   16   3   1   1 12.304  24.607   0.138   41.17    8       72.6      212.4
   17   2   1   2 13.155  26.309   0.148   35.76    8        2.5        0.2
   18   1   0   3 13.598  27.196   0.153   33.34    4        2.0        0.1
   19   4   1   0 13.604  27.207   0.153   33.31    4        1.4        0.0
   20   4   0   2 14.141  28.281   0.159   30.68    4       76.0       86.6
   21   4   1   1 14.324  28.648   0.161   29.85    8       33.1       32.1
   22   2   0   3 14.424  28.848   0.162   29.41    4       69.7       69.9
   23   5   0   1 14.457  28.914   0.162   29.26    4       92.3      122.0
   24   3   1   2 14.546  29.092   0.163   28.88    8       16.3        7.5
   25   0   1   3 15.589  31.178   0.174   24.9     4      250.3      762.7
   26   3   0   3 15.712  31.424   0.176   24.48    4       22.2        5.9
   27   1   1   3 15.837  31.674   0.177   24.07    8       74.4      130.4
   28   0   2   0 16.089  32.178   0.18    23.26    2      235.0      314.1
   29   4   1   2 16.312  32.623   0.182   22.58    8       13.6        4.1
   30   5   0   2 16.43   32.86    0.184   22.23    4      152.0      251.0
   31   2   1   3 16.561  33.122   0.185   21.85    8       59.9       76.7
   32   6   0   0 16.563  33.127   0.185   21.84    2      176.2      165.8
   33   5   1   1 16.591  33.181   0.185   21.76    8      156.0      518.2
   34   1   2   1 16.945  33.891   0.189   20.79    8       30.9       19.4
   35   2   2   0 17.036  34.071   0.19    20.55    4      117.3      138.3
   36   6   0   1 17.171  34.343   0.192   20.2     4       33.1       10.8
   37   4   0   3 17.371  34.742   0.194   19.69    4        5.3        0.3
   38   2   2   1 17.629  35.258   0.197   19.07    8       20.5        7.8
   39   3   1   3 17.71   35.42    0.197   18.88    8       94.3      164.3
   40   0   0   4 17.879  35.758   0.199   18.49    2       51.7       12.1
   41   1   0   4 18.099  36.198   0.202   18.0     4       72.8       46.7
   42   5   1   2 18.358  36.717   0.204   17.45    8       25.1       10.8
   43   0   2   2 18.47   36.939   0.206   17.22    4       85.2       61.2
   44   6   1   0 18.48   36.959   0.206   17.2     4        2.0        0.0
   45   1   2   2 18.684  37.368   0.208   16.78    8      109.4      196.6
   46   3   2   1 18.72   37.441   0.208   16.71    8        7.2        0.8
   47   2   0   4 18.746  37.492   0.209   16.66    4       64.9       34.3
   48   6   0   2 18.892  37.783   0.21    16.38    4       35.1        9.9
   49   6   1   1 19.034  38.068   0.212   16.11    8       44.1       30.7
   50   4   1   3 19.217  38.434   0.214   15.77    8       93.1      133.8
   51   2   2   2 19.314  38.628   0.215   15.6     8      117.0      208.9
   52   5   0   3 19.32   38.639   0.215   15.59    4       29.4        6.6
   53   4   2   0 19.636  39.271   0.218   15.04    4       15.4        1.7
   54   3   0   4 19.784  39.569   0.22    14.79    4       25.3        4.6
   55   1   1   4 19.887  39.774   0.221   14.62    8       44.3       28.0
   56   7   0   1 19.958  39.916   0.222   14.5     4       72.9       37.6
   57   4   2   1 20.163  40.326   0.224   14.18    8       84.8       99.8
   58   3   2   2 20.328  40.656   0.225   13.92    8       52.7       37.9
   59   2   1   4 20.486  40.972   0.227   13.68    8       19.0        4.8
   60   6   1   2 20.621  41.242   0.229   13.48    8       22.1        6.5
   61   5   1   3 21.019  42.039   0.233   12.92    8        7.1        0.6
   62   4   0   4 21.166  42.332   0.234   12.72    4       22.0        3.0
   63   1   2   3 21.31   42.621   0.236   12.53    8       66.7       54.6
   64   3   1   4 21.454  42.907   0.237   12.34    8       38.6       18.0
   65   7   0   2 21.488  42.976   0.238   12.3     4       12.6        1.0
   66   6   0   3 21.497  42.994   0.238   12.29    4      109.9       72.5
   67   7   1   1 21.616  43.232   0.239   12.13    8        4.7        0.3
   68   4   2   2 21.681  43.362   0.24    12.05    8       13.6        2.2
   69   2   2   3 21.877  43.755   0.242   11.81    8      127.8      188.6
   70   5   2   1 21.901  43.801   0.242   11.78    8      123.5      175.9
   71   8   0   0 22.34   44.68    0.247   11.27    2      193.7      103.3
   72   1   0   5 22.749  45.497   0.251   10.81    4        0.1        0.0
   73   4   1   4 22.752  45.504   0.251   10.81    8       41.1       17.9
   74   3   2   3 22.797  45.595   0.252   10.76    8       39.3       16.3
   75   8   0   1 22.816  45.632   0.252   10.74    4       92.2       44.6
   76   5   0   4 22.842  45.684   0.252   10.72    4      102.1       54.7
   77   7   1   2 23.056  46.113   0.254   10.49    8       57.3       33.7
   78   6   1   3 23.065  46.13    0.254   10.48    8       10.1        1.0
   79   2   0   5 23.288  46.575   0.257   10.26    4       98.2       48.4
   80   5   2   2 23.327  46.654   0.257   10.22    8      107.1      114.6
   81   6   2   0 23.427  46.854   0.258   10.12    4       20.4        2.1
   82   7   0   3 23.861  47.722   0.263    9.71    4       35.9        6.1
   83   8   1   0 23.864  47.729   0.263    9.7     4       75.1       26.7
   84   6   2   1 23.886  47.772   0.263    9.68    8       15.0        2.1
   85   4   2   3 24.039  48.077   0.264    9.54    8        2.6        0.1
   86   0   1   5 24.08   48.16    0.265    9.51    4       17.8        1.5
   87   3   0   5 24.166  48.331   0.266    9.43    4       40.1        7.4
   88   8   0   2 24.2    48.401   0.266    9.4     4       86.0       34.0
   89   1   1   5 24.253  48.506   0.267    9.35    8       24.9        5.7
   90   8   1   1 24.317  48.634   0.267    9.3     8       25.3        5.8
   91   5   1   4 24.342  48.683   0.268    9.28    8       57.1       29.6
   92   0   2   4 24.43   48.861   0.268    9.2     4       48.0       10.4
   93   1   2   4 24.602  49.203   0.27     9.06    8      142.5      179.9
   94   2   1   5 24.767  49.534   0.272    8.92    8       65.9       37.9
   95   6   0   4 24.769  49.537   0.272    8.92    4       22.4        2.2
   96   0   3   1 25.006  50.013   0.274    8.73    4       20.7        1.8
   97   2   2   4 25.11   50.221   0.275    8.64    8       34.9       10.3
   98   1   3   1 25.175  50.35    0.276    8.59    8       13.3        1.5
   99   6   2   2 25.226  50.451   0.277    8.55    8       24.9        5.2
  100   2   3   0 25.24   50.481   0.277    8.54    4       22.0        2.0
  101   7   1   3 25.315  50.63    0.278    8.49    8       24.8        5.1
  102   4   0   5 25.356  50.712   0.278    8.45    4       27.8        3.2
  103   5   2   3 25.567  51.135   0.28     8.3     8       26.3        5.6
  104   3   1   5 25.607  51.213   0.281    8.27    8        6.3        0.3
  105   8   1   2 25.64   51.28    0.281    8.24    8       10.7        0.9
  106   2   3   1 25.675  51.35    0.281    8.22    8        4.2        0.1
  107   9   0   1 25.75   51.501   0.282    8.16    4        8.9        0.3
  108   3   2   4 25.942  51.884   0.284    8.03    8       52.5       21.6
  109   7   2   1 26.083  52.165   0.285    7.93    8        8.2        0.5
  110   6   1   4 26.185  52.37    0.286    7.86    8       49.7       19.0
  111   8   0   3 26.385  52.771   0.288    7.72    4        3.9        0.1
  112   1   3   2 26.466  52.932   0.289    7.67    8       16.8        2.1
  113   3   3   1 26.494  52.988   0.29     7.65    8       63.0       29.7
  114   4   1   5 26.75   53.5     0.292    7.48    8       77.5       44.0
  115   5   0   5 26.83   53.659   0.293    7.43    4       12.5        0.6
  116   7   0   4 26.912  53.825   0.294    7.38    4       32.8        3.9
  117   2   3   2 26.949  53.899   0.294    7.36    8        1.2        0.0
  118   9   0   2 27.022  54.044   0.295    7.31    4       69.0       17.0
  119   4   2   4 27.075  54.151   0.295    7.28    8       35.2        8.8
  120   9   1   1 27.13   54.26    0.296    7.25    8       95.4       64.5
  121   4   3   0 27.199  54.397   0.297    7.21    4        7.8        0.2
  122   7   2   2 27.344  54.687   0.298    7.12    8       79.9       44.5
  123   6   2   3 27.351  54.702   0.298    7.11    8       29.5        6.1
  124   0   0   6 27.42   54.84    0.299    7.07    2       98.3       16.7
  125   1   0   6 27.578  55.156   0.301    6.98    4       95.0       30.8
  126   4   3   1 27.612  55.223   0.301    6.96    8       27.3        5.1
  127   3   3   2 27.742  55.484   0.302    6.89    8       18.5        2.3
  128   8   1   3 27.743  55.486   0.302    6.89    8       14.3        1.4
  129   2   0   6 28.048  56.096   0.305    6.72    4       36.1        4.3
  130   8   2   0 28.06   56.121   0.305    6.71    4       91.3       27.3
  131   5   1   5 28.173  56.345   0.306    6.65    8      102.1       67.9
  132   7   1   4 28.253  56.505   0.307    6.61    8       14.7        1.4
  133   9   1   2 28.359  56.718   0.308    6.55    8      105.8       71.8
  134  10   0   0 28.368  56.736   0.308    6.55    2       74.5        8.9
  135   0   3   3 28.373  56.745   0.308    6.55    4      175.7       98.8
  136   1   2   5 28.408  56.815   0.309    6.53    8       18.0        2.1
  137   8   2   1 28.465  56.93    0.309    6.5     8       20.1        2.6
  138   5   2   4 28.487  56.974   0.31     6.49    8      178.3      201.6
  139   1   3   3 28.527  57.054   0.31     6.47    8       63.3       25.4
  140   6   0   5 28.559  57.117   0.31     6.45    4       78.7       19.5
  141  10   0   1 28.77   57.539   0.312    6.34    4        3.1        0.0
  142   3   0   6 28.82   57.641   0.313    6.32    4      220.0      149.5
  143   4   3   2 28.827  57.654   0.313    6.32    8       20.3        2.6
  144   2   2   5 28.869  57.738   0.313    6.29    8        8.4        0.4
  145   1   1   6 28.898  57.795   0.314    6.28    8       31.5        6.1
  146   2   3   3 28.987  57.974   0.315    6.24    8       47.1       13.5
  147   5   3   1 29.006  58.012   0.315    6.23    8      123.1       92.3
  148   9   0   3 29.056  58.112   0.315    6.2     4        5.3        0.1
  149   8   0   4 29.249  58.497   0.317    6.11    4       43.8        5.7
  150   2   1   6 29.354  58.708   0.318    6.06    8       30.7        5.6
  151   7   2   3 29.363  58.726   0.318    6.06    8       10.7        0.7
  152   3   2   5 29.627  59.255   0.321    5.94    8       32.6        6.2
  153   8   2   2 29.658  59.315   0.321    5.92    8       56.7       18.6
  154  10   1   0 29.665  59.329   0.321    5.92    4      142.2       58.5
  155   3   3   3 29.744  59.487   0.322    5.89    8       72.1       29.9
  156   6   1   5 29.85   59.701   0.323    5.84    8       72.5       30.0
  157   4   0   6 29.88   59.76    0.323    5.83    4      130.0       48.1
  158  10   0   2 29.954  59.909   0.324    5.79    4       16.9        0.8
  159  10   1   1 30.055  60.111   0.325    5.75    8      105.2       62.2
  160   3   1   6 30.105  60.21    0.326    5.73    8       18.2        1.9
  161   6   2   4 30.153  60.307   0.326    5.71    8        4.1        0.1
  162   5   3   2 30.185  60.37    0.326    5.69    8       35.8        7.1
  163   6   3   0 30.269  60.537   0.327    5.66    4       16.5        0.8
  164   9   1   3 30.335  60.669   0.328    5.63    8       19.8        2.2
  165   7   0   5 30.519  61.038   0.33     5.56    4       19.0        1.0
  166   8   1   4 30.522  61.044   0.33     5.56    8       42.7        9.9
  167   6   3   1 30.655  61.31    0.331    5.5     8       41.9        9.5
  168   4   2   5 30.67   61.34    0.331    5.5     8       40.0        8.6
  169   4   3   3 30.784  61.567   0.332    5.45    8       65.5       22.9
  170   9   2   1 31.018  62.037   0.334    5.36    8       41.6        9.1
  171   4   1   6 31.138  62.275   0.336    5.32    8       18.8        1.8
  172   5   0   6 31.21   62.42    0.336    5.29    4       40.1        4.2
  173  10   1   2 31.21   62.421   0.336    5.29    8       31.1        5.0
  174   1   3   4 31.262  62.524   0.337    5.27    8       20.3        2.1
  175   8   2   3 31.583  63.166   0.34     5.15    8        0.9        0.0
  176   2   3   4 31.698  63.395   0.341    5.11    8        8.7        0.4
  177   7   1   5 31.762  63.524   0.342    5.09    8       62.9       19.7
  178   9   0   4 31.763  63.527   0.342    5.09    4      128.0       40.8
  179   6   3   2 31.797  63.594   0.342    5.08    8       14.2        1.0
  180  10   0   3 31.869  63.738   0.343    5.05    4      103.4       26.4
  181  11   0   1 31.887  63.774   0.343    5.04    4       22.2        1.2
  182   5   2   5 31.98   63.961   0.344    5.01    8       39.4        7.6
  183   7   2   4 32.055  64.109   0.345    4.99    8      160.7      126.0
  184   5   3   3 32.092  64.184   0.345    4.97    8        0.4        0.0
  185   9   2   2 32.153  64.306   0.345    4.95    8      101.2       49.7
  186   3   3   4 32.417  64.833   0.348    4.87    8       29.4        4.1
  187   5   1   6 32.438  64.876   0.348    4.86    8       33.1        5.2
  188   0   2   6 32.511  65.023   0.349    4.84    4       98.9       23.2
  189   7   3   1 32.539  65.078   0.349    4.83    8       16.2        1.2
  190   1   0   7 32.64   65.28    0.35     4.8     4       29.4        2.0
  191   1   2   6 32.654  65.308   0.35     4.79    8      138.9       90.3
  192   8   0   5 32.693  65.386   0.351    4.78    4       36.4        3.1
  193   6   0   6 32.793  65.586   0.352    4.75    4        3.6        0.0
  194   9   1   4 32.98   65.96    0.353    4.69    8       13.9        0.9
  195  11   0   2 33.005  66.011   0.354    4.68    4       79.0       14.3
  196   2   0   7 33.066  66.131   0.354    4.66    4       39.0        3.5
  197   2   2   6 33.079  66.159   0.354    4.66    8       47.9       10.5
  198  10   1   3 33.084  66.167   0.354    4.66    8       22.4        2.3
  199  11   1   1 33.101  66.202   0.354    4.65    8       10.2        0.5
  200  10   2   0 33.37   66.74    0.357    4.57    4       65.7        9.7
  201   4   3   4 33.409  66.818   0.357    4.56    8       36.1        5.8
  202   6   2   5 33.544  67.088   0.359    4.53    8        1.9        0.0
  203   7   3   2 33.646  67.292   0.36     4.5     8       38.3        6.5
  204   6   3   3 33.653  67.305   0.36     4.49    8        7.7        0.3
  205   0   4   0 33.66   67.319   0.36     4.49    2      446.5      218.9
  206   0   1   7 33.7    67.4     0.36     4.48    4       65.4        9.4
  207  10   2   1 33.736  67.473   0.361    4.47    8       14.7        0.9
  208   3   0   7 33.769  67.538   0.361    4.46    4       45.9        4.6
  209   3   2   6 33.783  67.566   0.361    4.46    8       66.9       19.5
  210   1   1   7 33.84   67.68    0.361    4.44    8       17.3        1.3
  211   8   1   5 33.892  67.784   0.362    4.43    8       45.8        9.1
  212   6   1   6 33.99   67.981   0.363    4.4     8        2.6        0.0
  213   9   2   3 33.999  67.997   0.363    4.4     8       40.1        6.9
  214   1   4   1 34.164  68.328   0.365    4.36    8        1.9        0.0
  215   8   2   4 34.175  68.35    0.365    4.35    8       46.4        9.2
  216  11   1   2 34.199  68.398   0.365    4.35    8       44.6        8.5
  217   2   4   0 34.218  68.436   0.365    4.34    4       23.1        1.1
  218   2   1   7 34.258  68.516   0.365    4.33    8       51.2       11.1
  219   8   3   0 34.283  68.565   0.366    4.32    4       55.9        6.6
  220  10   0   4 34.45   68.9     0.367    4.28    4       36.8        2.8
  221   0   3   5 34.454  68.909   0.367    4.28    4       12.1        0.3
  222   2   4   1 34.58   69.16    0.368    4.25    8        0.9        0.0
  223   1   3   5 34.593  69.186   0.369    4.24    8       24.0        2.4
  224   7   0   6 34.615  69.229   0.369    4.24    4        5.2        0.1
  225   8   3   1 34.644  69.289   0.369    4.23    8       15.9        1.0
  226   5   3   4 34.664  69.328   0.369    4.23    8       57.0       13.4
  227   4   0   7 34.742  69.485   0.37     4.21    4       13.0        0.3
  228   4   2   6 34.756  69.511   0.37     4.2     8        6.2        0.2
  229  12   0   0 34.761  69.522   0.37     4.2     2       70.3        5.1
  230  10   2   2 34.824  69.649   0.371    4.19    8      186.8      142.9
  231  11   0   3 34.828  69.656   0.371    4.19    4       47.2        4.6
  232   3   1   7 34.95   69.9     0.372    4.16    8       17.8        1.3
  233   2   3   5 35.007  70.014   0.372    4.14    8       56.8       13.1
  234   9   0   5 35.069  70.139   0.373    4.13    4       74.2       11.1
  235   0   4   2 35.108  70.216   0.373    4.12    4       56.2        6.4
  236  12   0   1 35.121  70.241   0.373    4.12    4       32.2        2.1
  237   1   4   2 35.246  70.491   0.375    4.09    8       15.1        0.9
  238   3   4   1 35.269  70.538   0.375    4.08    8        6.5        0.2
  239   7   2   5 35.347  70.693   0.376    4.06    8        8.0        0.3
  240   7   3   3 35.453  70.905   0.377    4.04    8       23.5        2.2
  241  10   1   4 35.62   71.24    0.378    4.0     8       20.2        1.6
  242   2   4   2 35.656  71.312   0.378    3.99    8       19.7        1.5
  243   3   3   5 35.692  71.384   0.379    3.99    8        2.8        0.0
  244   8   3   2 35.72   71.439   0.379    3.98    8        4.9        0.1
  245   7   1   6 35.783  71.565   0.38     3.97    8       44.1        7.6
  246   4   4   0 35.869  71.738   0.38     3.95    4       51.7        5.2
  247   4   1   7 35.908  71.817   0.381    3.94    8        6.2        0.1
  248  12   1   0 35.927  71.854   0.381    3.93    4        0.6        0.0
  249   5   0   7 35.976  71.951   0.381    3.92    4       46.3        4.1
  250   5   2   6 35.989  71.978   0.381    3.92    8       74.3       21.1
  251  11   1   3 35.993  71.986   0.381    3.92    8        0.7        0.0
  252   6   3   4 36.17   72.341   0.383    3.88    8       45.1        7.7
  253  12   0   2 36.19   72.379   0.383    3.88    4       44.8        3.8
  254   4   4   1 36.224  72.448   0.384    3.87    8       31.8        3.8
  255   9   1   5 36.231  72.461   0.384    3.87    8       13.7        0.7
  256  12   1   1 36.281  72.563   0.384    3.86    8       30.7        3.6
  257   3   4   2 36.336  72.672   0.385    3.85    8       38.5        5.6
  258   9   2   4 36.506  73.011   0.386    3.82    8        5.1        0.1
  259  10   2   3 36.605  73.21    0.387    3.8     8      143.2       76.1
  260  11   2   1 36.622  73.243   0.387    3.79    8       84.1       26.2
  261   4   3   5 36.642  73.285   0.387    3.79    8       63.7       15.0
  262   8   0   6 36.664  73.327   0.388    3.78    4       45.4        3.8
  263   9   3   1 36.962  73.924   0.39     3.73    8       83.5       25.4
  264   1   4   3 37.018  74.035   0.391    3.72    8        5.2        0.1
  265   5   1   7 37.125  74.251   0.392    3.7     8       62.7       14.2
  266   4   4   2 37.28   74.56    0.393    3.67    8       49.6        8.8
  267  11   0   4 37.311  74.622   0.393    3.66    4       84.3       12.7
  268   1   2   7 37.329  74.658   0.394    3.66    8       55.2       10.9
  269  12   1   2 37.337  74.674   0.394    3.66    8       19.6        1.4
  270   8   2   5 37.379  74.758   0.394    3.65    8      124.2       55.1
  271   2   4   3 37.42   74.841   0.394    3.64    8       34.9        4.3
  272   5   4   1 37.437  74.874   0.395    3.64    8       59.1       12.5
  273   6   0   7 37.46   74.92    0.395    3.64    4       18.8        0.6
  274   6   2   6 37.473  74.946   0.395    3.63    8       52.9        9.9
  275   8   3   3 37.483  74.965   0.395    3.63    8        0.1        0.0
  276  10   0   5 37.644  75.288   0.396    3.6     4       71.5        9.0
  277  11   2   2 37.674  75.347   0.397    3.6     8       14.4        0.7
  278   2   2   7 37.731  75.461   0.397    3.59    8       20.5        1.5
  279   8   1   6 37.806  75.611   0.398    3.58    8       27.6        2.7
  280   5   3   5 37.85   75.701   0.398    3.57    8       83.0       24.0
  281   0   0   8 37.88   75.761   0.399    3.56    2      152.9       20.4
  282   7   3   4 37.919  75.838   0.399    3.56    8       15.2        0.8
  283  12   0   3 37.944  75.888   0.399    3.55    4       49.3        4.2
  284   9   3   2 38.011  76.021   0.4      3.54    8       94.9       31.2
  285   1   0   8 38.014  76.027   0.4      3.54    4       18.4        0.6
  286   3   4   3 38.088  76.177   0.4      3.53    8       12.3        0.5
  287   3   2   7 38.397  76.793   0.403    3.48    8       20.9        1.5
  288   2   0   8 38.413  76.826   0.403    3.48    4      115.6       22.7
  289  11   1   4 38.446  76.892   0.404    3.47    8       46.1        7.2
  290   1   3   6 38.477  76.953   0.404    3.47    8       27.2        2.5
  291   5   4   2 38.481  76.962   0.404    3.47    8      113.8       43.9
  292  13   0   1 38.493  76.986   0.404    3.47    4       13.2        0.3
  293   6   4   0 38.556  77.111   0.405    3.46    4      118.3       23.6
  294   6   1   7 38.594  77.188   0.405    3.45    8       73.1       18.0
  295  10   1   5 38.776  77.551   0.407    3.42    8       47.0        7.4
  296   2   3   6 38.874  77.749   0.407    3.41    8       14.3        0.7
  297   6   4   1 38.901  77.803   0.408    3.4     8       23.7        1.9
  298   9   0   6 38.934  77.869   0.408    3.4     4       63.4        6.7
  299   4   4   3 39.017  78.035   0.409    3.39    8        1.2        0.0
  300  10   2   4 39.044  78.089   0.409    3.38    8       74.3       18.3
  301  12   1   3 39.073  78.146   0.409    3.38    8        8.8        0.3
  302   3   0   8 39.075  78.151   0.409    3.38    4       23.2        0.9
  303   1   1   8 39.142  78.284   0.41     3.37    8       11.0        0.4
  304  10   3   0 39.147  78.293   0.41     3.37    4      126.3       26.3
  305   7   0   7 39.189  78.377   0.41     3.36    4       29.8        1.5
  306   7   2   6 39.201  78.403   0.41     3.36    8       50.4        8.4
  307   6   3   5 39.31   78.62    0.411    3.35    8       73.8       17.8
  308   0   4   4 39.317  78.633   0.411    3.34    4       34.9        2.0
  309   4   2   7 39.323  78.647   0.411    3.34    8        7.6        0.2
  310  12   2   0 39.341  78.683   0.411    3.34    4        3.5        0.0
  311  11   2   3 39.405  78.811   0.412    3.33    8       75.8       18.7
  312   1   4   4 39.448  78.897   0.412    3.33    8       55.3       10.0
  313  10   3   1 39.491  78.982   0.413    3.32    8      103.2       34.6
  314  13   0   2 39.528  79.056   0.413    3.32    4       22.9        0.8
  315   3   3   6 39.535  79.069   0.413    3.32    8       15.3        0.8
  316   2   1   8 39.538  79.076   0.413    3.31    8       18.6        1.1
  317  13   1   1 39.617  79.235   0.414    3.3     8       17.4        1.0
  318   9   2   5 39.636  79.272   0.414    3.3     8       92.8       27.8
  319  12   2   1 39.685  79.37    0.415    3.3     8       13.1        0.6
  320   9   3   3 39.738  79.476   0.415    3.29    8       12.0        0.5
  321   2   4   4 39.843  79.687   0.416    3.27    8       42.4        5.8
  322   8   3   4 39.904  79.809   0.416    3.27    8       30.4        3.0
  323   6   4   2 39.934  79.867   0.417    3.26    8       48.3        7.4
  324   4   0   8 39.997  79.995   0.417    3.26    4       30.7        1.5
  325   9   1   6 40.055  80.11    0.418    3.25    8       29.6        2.8
  326   3   1   8 40.195  80.39    0.419    3.23    8       12.8        0.5
  327   5   4   3 40.202  80.405   0.419    3.23    8       14.5        0.7
  328   7   1   7 40.308  80.615   0.42     3.22    8       59.2       11.0
  329  12   0   4 40.358  80.715   0.42     3.21    4       34.3        1.8
  330  11   0   5 40.421  80.843   0.421    3.2     4       15.9        0.4
  331   4   3   6 40.454  80.908   0.421    3.2     8       13.5        0.6
  332   3   4   4 40.499  80.999   0.422    3.19    8       13.9        0.6
  333   5   2   7 40.506  81.012   0.422    3.19    8      116.9       42.7
  334  10   3   2 40.519  81.038   0.422    3.19    8       23.4        1.7
  335   7   4   1 40.612  81.223   0.423    3.18    8       36.5        4.2
  336  13   1   2 40.645  81.289   0.423    3.18    8       15.8        0.8
  337  12   2   2 40.712  81.424   0.423    3.17    8        4.5        0.1
  338   7   3   5 41.016  82.032   0.426    3.14    8       53.8        8.9
  339   4   1   8 41.111  82.222   0.427    3.13    8        3.5        0.0
  340   8   0   7 41.157  82.314   0.427    3.12    4       33.7        1.7
  341   8   2   6 41.17   82.34    0.427    3.12    8       10.7        0.4
  342   5   0   8 41.176  82.351   0.427    3.12    4       51.8        4.1
  343  13   0   3 41.238  82.476   0.428    3.11    4       40.6        2.5
  344   4   4   4 41.414  82.828   0.429    3.09    8       15.5        0.7
  345  10   0   6 41.428  82.856   0.43     3.09    4       12.7        0.2
  346  12   1   4 41.469  82.938   0.43     3.09    8       10.5        0.3
  347  11   1   5 41.532  83.065   0.43     3.08    8       40.3        4.9
  348   5   3   6 41.629  83.259   0.431    3.07    8       23.3        1.6
  349   7   4   2 41.634  83.267   0.431    3.07    8        4.1        0.1
  350   6   4   3 41.64   83.28    0.431    3.07    8       59.2       10.5
  351  14   0   0 41.696  83.392   0.432    3.07    2        7.8        0.0
  352  11   2   4 41.797  83.593   0.433    3.06    8        7.2        0.2
  353   6   2   7 41.941  83.883   0.434    3.04    8       58.0       10.0
  354  14   0   1 42.036  84.072   0.435    3.03    4       18.5        0.5
  355  10   2   5 42.12   84.24    0.435    3.03    8        5.3        0.1
  356   9   3   4 42.125  84.25    0.435    3.03    8       20.8        1.3
  357  10   3   3 42.221  84.441   0.436    3.02    8       21.4        1.4
  358   8   4   0 42.227  84.454   0.436    3.02    4      118.6       20.7
  359  11   3   1 42.237  84.474   0.436    3.02    8        3.5        0.0
  360   8   1   7 42.265  84.529   0.437    3.01    8       54.0        8.6
  361   5   1   8 42.283  84.566   0.437    3.01    8       11.0        0.4
  362  13   1   3 42.345  84.69    0.437    3.01    8        9.1        0.2
  363   0   2   8 42.35   84.7     0.437    3.01    4       62.7        5.8
  364  12   2   3 42.412  84.824   0.438    3.0     8       52.4        8.1
  365   1   2   8 42.48   84.96    0.438    3.0     8        0.5        0.0
  366   1   4   5 42.518  85.035   0.439    2.99    8        0.6        0.0
  367  10   1   6 42.534  85.069   0.439    2.99    8       63.3       11.7
  368   8   4   1 42.566  85.132   0.439    2.99    8       54.7        8.8
  369   5   4   4 42.585  85.169   0.439    2.99    8       63.8       11.9
  370   6   0   8 42.607  85.214   0.439    2.99    4       60.7        5.4
  371   0   3   7 42.789  85.578   0.441    2.97    4       59.7        5.2
  372  14   1   0 42.801  85.603   0.441    2.97    4      145.8       30.9
  373   2   2   8 42.869  85.738   0.442    2.96    8       27.3        2.2
  374   2   4   5 42.907  85.814   0.442    2.96    8       60.8       10.7
  375   1   3   7 42.919  85.838   0.442    2.96    8        8.6        0.2
  376  13   2   1 42.947  85.895   0.442    2.96    8        2.9        0.0
  377   8   3   5 42.967  85.934   0.442    2.96    8       40.8        4.8
  378  14   0   2 43.052  86.104   0.443    2.95    4       28.5        1.2
  379   6   3   6 43.058  86.117   0.443    2.95    8        6.4        0.1
  380  14   1   1 43.14   86.28    0.444    2.94    8       20.7        1.2
  381  11   3   2 43.253  86.505   0.445    2.94    8       43.5        5.4
  382   2   3   7 43.308  86.615   0.445    2.93    8       48.2        6.7
  383   7   4   3 43.328  86.656   0.445    2.93    8       17.1        0.8
  384   9   0   7 43.367  86.733   0.446    2.93    4       59.4        5.0
  385   9   2   6 43.379  86.758   0.446    2.93    8        9.9        0.3
  386  12   0   5 43.415  86.83    0.446    2.92    4       72.9        7.6
  387   3   2   8 43.517  87.034   0.447    2.92    8       23.7        1.6
  388   3   4   5 43.555  87.11    0.447    2.91    8       27.9        2.2
  389   8   4   2 43.581  87.162   0.447    2.91    8       58.5        9.7
  390  13   0   4 43.611  87.222   0.448    2.91    4       14.2        0.3
  391   7   2   7 43.628  87.256   0.448    2.91    8        8.8        0.2
  392   6   1   8 43.709  87.419   0.449    2.9     8       77.5       17.0
  393   1   0   9 43.82   87.64    0.449    2.9     4       24.6        0.9
  394   3   3   7 43.955  87.91    0.451    2.89    8       22.5        1.4
  395  13   2   2 43.961  87.923   0.451    2.89    8       18.4        1.0
  396   6   4   4 44.01   88.02    0.451    2.88    8       13.7        0.5
  397  11   0   6 44.153  88.307   0.452    2.87    4       35.8        1.8
  398  14   1   2 44.154  88.307   0.452    2.87    8       27.9        2.2
  399   0   5   1 44.192  88.383   0.452    2.87    4        4.0        0.0
  400   2   0   9 44.208  88.417   0.453    2.87    4       45.2        2.9
  401   7   0   8 44.291  88.582   0.453    2.87    4       49.7        3.5
  402   1   5   1 44.321  88.642   0.454    2.86    8       23.4        1.5
  403   2   5   0 44.372  88.743   0.454    2.86    4       14.4        0.3
  404   4   2   8 44.423  88.846   0.454    2.86    8      102.4       29.3
  405   4   4   5 44.461  88.922   0.455    2.86    8       11.1        0.3
  406   9   1   7 44.467  88.935   0.455    2.86    8       88.1       21.7
  407  12   1   5 44.516  89.031   0.455    2.85    8       25.3        1.8
  408  10   3   4 44.588  89.175   0.456    2.85    8       15.2        0.6
  409   2   5   1 44.709  89.418   0.457    2.84    8        8.1        0.2
  410  13   1   4 44.712  89.423   0.457    2.84    8        2.0        0.0
  411  14   0   3 44.741  89.482   0.457    2.84    4       90.4       11.4
  412   7   3   6 44.741  89.483   0.457    2.84    8       36.7        3.7
  413   9   4   1 44.768  89.536   0.457    2.84    8       17.3        0.8
  414  12   2   4 44.778  89.557   0.457    2.84    8        8.5        0.2
  415   0   1   9 44.791  89.583   0.457    2.84    4        7.8        0.1
  416  11   2   5 44.841  89.682   0.458    2.84    8       43.5        5.2
  417   3   0   9 44.855  89.711   0.458    2.84    4       34.8        1.7
  418   4   3   7 44.861  89.722   0.458    2.84    8        2.8        0.0
  419  12   3   0 44.878  89.757   0.458    2.83    4        2.7        0.0
  420   1   1   9 44.921  89.841   0.458    2.83    8       95.0       25.0
  421  11   3   3 44.941  89.882   0.459    2.83    8        4.7        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   2   0   0   5.453  10.906  8.106        120.7     15.8     16.0     5.6
    2   0   0   2   8.83   17.66   5.018        196.9     25.8     26.1     5.6
    3   0   1   1   9.114  18.228  4.86284       10.2      1.3      1.4     5.6
    4   1   0   2   9.247  18.494  4.79362       20.4      2.7      2.7     5.6
    5   1   1   1   9.519  19.038  4.65782       58.2      7.6      7.7     5.6
    6   2   0   2  10.401  20.802  4.26663       25.1      3.3      3.3     5.6
    7   4   0   0  10.956  21.912  4.053        100.5     13.2     13.3     5.6
    8   4   0   1  11.827  23.655  3.75811       60.6      7.9      8.0     5.6
    9   3   0   2  12.092  24.183  3.67716       90.4     11.9     11.9     5.6
   10   1   1   2  12.25   24.5    3.63029        8.6      1.1      1.1     5.6
   11   3   1   1  12.304  24.607  3.61477      212.4     27.9     28.0     5.6
   12   4   0   2  14.141  28.281  3.153         86.6     11.4     11.4     5.6
   13   4   1   1  14.324  28.648  3.1134        32.1      4.2      4.2     5.6
   14   2   0   3  14.424  28.848  3.09234       69.9      9.2      9.2     5.6
   15   5   0   1  14.457  28.914  3.08537      122.0     16.0     16.0     5.6
   16   0   1   3  15.589  31.178  2.86634      762.7    100.0    100.0     5.6
   17   1   1   3  15.837  31.674  2.82256      130.4     17.1     17.1     5.6
   18   0   2   0  16.089  32.178  2.7795       314.1     41.2     41.1     5.6
   19   5   0   2  16.43   32.86   2.72335      251.0     32.9     32.9     5.6
   20   5   1   1  16.591  33.181  2.69771      760.7     99.7     99.6     5.6
   21   1   2   1  16.945  33.891  2.64283       19.4      2.5      2.5     5.7
   22   2   2   0  17.036  34.071  2.62923      138.3     18.1     18.1     5.7
   23   6   0   1  17.171  34.343  2.60909       10.8      1.4      1.4     5.7
   24   2   2   1  17.629  35.258  2.54339        7.8      1.0      1.0     5.7
   25   3   1   3  17.71   35.42   2.53219      164.3     21.5     21.5     5.7
   26   0   0   4  17.879  35.758  2.509         12.1      1.6      1.6     5.7
   27   1   0   4  18.099  36.198  2.47948       46.7      6.1      6.1     5.7
   28   5   1   2  18.358  36.717  2.44564       10.8      1.4      1.4     5.7
   29   0   2   2  18.47   36.939  2.43142       61.2      8.0      8.0     5.7
   30   1   2   2  18.684  37.368  2.40453      196.6     25.8     25.6     5.7
   31   2   0   4  18.746  37.492  2.39681       34.3      4.5      4.5     5.7
   32   6   0   2  18.892  37.783  2.37903        9.9      1.3      1.3     5.7
   33   6   1   1  19.034  38.068  2.36189       30.7      4.0      4.0     5.7
   34   4   1   3  19.217  38.434  2.34024      133.8     17.5     17.4     5.7
   35   2   2   2  19.314  38.628  2.32891      215.5     28.3     28.1     5.7
   36   1   1   4  19.887  39.774  2.26445       28.0      3.7      3.6     5.7
   37   7   0   1  19.958  39.916  2.25669       37.6      4.9      4.9     5.7
   38   4   2   1  20.163  40.326  2.23471       99.8     13.1     13.0     5.7
   39   3   2   2  20.328  40.656  2.21732       37.9      5.0      4.9     5.7
   40   1   2   3  21.31   42.621  2.11952       54.6      7.2      7.1     5.7
   41   3   1   4  21.454  42.907  2.10605       18.0      2.4      2.3     5.7
   42   6   0   3  21.497  42.994  2.102         72.5      9.5      9.4     5.7
   43   2   2   3  21.877  43.755  2.06718      364.5     47.8     47.2     5.7
   44   8   0   0  22.34   44.68   2.0265       103.3     13.5     13.4     5.7
   45   4   1   4  22.752  45.504  1.99169       17.9      2.3      2.3     5.7
   46   8   0   1  22.816  45.632  1.98641      115.5     15.2     14.9     5.7
   47   7   1   2  23.056  46.113  1.96682       34.7      4.6      4.5     5.7
   48   2   0   5  23.288  46.575  1.94836       48.4      6.3      6.2     5.7
   49   5   2   2  23.327  46.654  1.94525      114.6     15.0     14.8     5.7
   50   8   1   0  23.864  47.729  1.90394       35.0      4.6      4.5     5.7
   51   8   0   2  24.2    48.401  1.87906       34.0      4.5      4.4     5.7
   52   5   1   4  24.342  48.683  1.86881       35.4      4.6      4.6     5.7
   53   0   2   4  24.43   48.861  1.86244       10.4      1.4      1.3     5.7
   54   1   2   4  24.602  49.203  1.85027      179.9     23.6     23.2     5.7
   55   2   1   5  24.767  49.534  1.83869       40.0      5.3      5.2     5.7
   56   2   2   4  25.11   50.221  1.81515       10.3      1.4      1.3     5.8
   57   3   2   4  25.942  51.884  1.7608        21.6      2.8      2.8     5.8
   58   6   1   4  26.185  52.37   1.74558       19.0      2.5      2.4     5.8
   59   3   3   1  26.494  52.988  1.72668       31.9      4.2      4.1     5.8
   60   4   1   5  26.75   53.5    1.71135       44.0      5.8      5.6     5.8
   61   9   0   2  27.022  54.044  1.69541       17.0      2.2      2.2     5.8
   62   4   2   4  27.075  54.151  1.69232        8.8      1.2      1.1     5.8
   63   9   1   1  27.13   54.26   1.68917       64.5      8.5      8.2     5.8
   64   7   2   2  27.344  54.687  1.67698       50.5      6.6      6.5     5.8
   65   0   0   6  27.42   54.84   1.67267       16.7      2.2      2.1     5.8
   66   1   0   6  27.578  55.156  1.66383       30.8      4.0      3.9     5.8
   67   8   2   0  28.06   56.121  1.63749       31.6      4.1      4.0     5.8
   68   5   1   5  28.173  56.345  1.6315        67.9      8.9      8.7     5.8
   69   0   3   3  28.373  56.745  1.62095      179.4     23.5     22.9     5.8
   70   5   2   4  28.487  56.974  1.61498      204.1     26.8     26.0     5.8
   71   1   3   3  28.527  57.054  1.61291       25.4      3.3      3.2     5.8
   72   6   0   5  28.559  57.117  1.61127       19.5      2.6      2.5     5.8
   73   3   0   6  28.82   57.641  1.59787      152.1     19.9     19.4     5.8
   74   5   3   1  29.006  58.012  1.58853      105.8     13.9     13.5     5.8
   75  10   1   0  29.665  59.329  1.55637       77.1     10.1      9.8     5.8
   76   3   3   3  29.744  59.487  1.55261       29.9      3.9      3.8     5.8
   77   6   1   5  29.85   59.701  1.54757       30.0      3.9      3.8     5.8
   78   4   0   6  29.88   59.76   1.54617       48.1      6.3      6.1     5.8
   79  10   1   1  30.055  60.111  1.53798       62.2      8.2      7.9     5.8
   80   8   1   4  30.522  61.044  1.51669        9.9      1.3      1.3     5.8
   81   6   3   1  30.655  61.31   1.51076       18.1      2.4      2.3     5.8
   82   4   3   3  30.784  61.567  1.50504       22.9      3.0      2.9     5.8
   83   9   2   1  31.018  62.037  1.49478        9.1      1.2      1.1     5.8
   84  10   1   2  31.21   62.421  1.48651        9.1      1.2      1.2     5.8
   85   9   0   4  31.763  63.527  1.46327       60.4      7.9      7.6     5.9
   86  10   0   3  31.869  63.738  1.45891       27.6      3.6      3.5     5.9
   87   7   2   4  32.055  64.109  1.45137      126.0     16.5     15.9     5.9
   88   9   2   2  32.153  64.306  1.44739       49.7      6.5      6.3     5.9
   89   5   1   6  32.438  64.876  1.43606        9.3      1.2      1.2     5.9
   90   0   2   6  32.511  65.023  1.43317       24.4      3.2      3.1     5.9
   91   1   2   6  32.654  65.308  1.4276        92.4     12.1     11.6     5.9
   92  11   0   2  33.005  66.011  1.41409       14.3      1.9      1.8     5.9
   93   2   2   6  33.079  66.159  1.41128       16.2      2.1      2.0     5.9
   94  10   2   0  33.37   66.74   1.4004         9.7      1.3      1.2     5.9
   95   0   4   0  33.66   67.319  1.38975      225.6     29.6     28.3     5.9
   96   0   1   7  33.7    67.4    1.38829        9.4      1.2      1.2     5.9
   97   3   2   6  33.783  67.566  1.38528       24.1      3.2      3.0     5.9
   98   8   1   5  33.892  67.784  1.38135        9.1      1.2      1.1     5.9
   99   8   2   4  34.175  68.35   1.37128       17.6      2.3      2.2     5.9
  100   2   1   7  34.258  68.516  1.36836       17.7      2.3      2.2     5.9
  101   5   3   4  34.664  69.328  1.35431       14.5      1.9      1.8     5.9
  102  10   2   2  34.824  69.649  1.34886      147.5     19.3     18.4     5.9
  103   2   3   5  35.007  70.014  1.34271       13.1      1.7      1.6     5.9
  104   9   0   5  35.069  70.139  1.34063       11.1      1.5      1.4     5.9
  105   0   4   2  35.108  70.216  1.33933        8.4      1.1      1.1     5.9
  106   5   2   6  35.989  71.978  1.31083       25.3      3.3      3.1     5.9
  107   6   3   4  36.17   72.341  1.30514       11.5      1.5      1.4     5.9
  108  10   2   3  36.605  73.21   1.29178      102.4     13.4     12.7     6.0
  109   4   3   5  36.642  73.285  1.29065       18.8      2.5      2.3     6.0
  110   9   3   1  36.962  73.924  1.28105       25.4      3.3      3.1     6.0
  111   5   1   7  37.125  74.251  1.27622       14.2      1.9      1.8     6.0
  112   4   4   2  37.28   74.56   1.2717         8.8      1.2      1.1     6.0
  113  11   0   4  37.311  74.622  1.27079       25.0      3.3      3.1     6.0
  114   8   2   5  37.379  74.758  1.26882       55.1      7.2      6.8     6.0
  115   5   4   1  37.437  74.874  1.26714       16.8      2.2      2.1     6.0
  116   6   2   6  37.473  74.946  1.26609        9.9      1.3      1.2     6.0
  117  10   0   5  37.644  75.288  1.2612         9.7      1.3      1.2     6.0
  118   5   3   5  37.85   75.701  1.25534       44.4      5.8      5.5     6.0
  119   9   3   2  38.011  76.021  1.25084       31.8      4.2      3.9     6.0
  120   2   0   8  38.413  76.826  1.23974       24.2      3.2      3.0     6.0
  121   5   4   2  38.481  76.962  1.23788       46.7      6.1      5.8     6.0
  122   6   4   0  38.556  77.111  1.23586       23.6      3.1      2.9     6.0
  123   6   1   7  38.594  77.188  1.23483       18.0      2.4      2.2     6.0
  124  10   2   4  39.044  78.089  1.22282       18.5      2.4      2.3     6.0
  125  10   3   0  39.147  78.293  1.22013       26.3      3.4      3.2     6.0
  126   7   2   6  39.201  78.403  1.2187         9.8      1.3      1.2     6.0
  127   6   3   5  39.31   78.62   1.21588       20.0      2.6      2.5     6.0
  128  11   2   3  39.405  78.811  1.21342       18.7      2.5      2.3     6.0
  129   1   4   4  39.448  78.897  1.21231       10.0      1.3      1.2     6.0
  130  10   3   1  39.491  78.982  1.21122       34.6      4.5      4.2     6.0
  131   9   2   5  39.636  79.272  1.20751       27.8      3.6      3.4     6.0
  132   6   4   2  39.934  79.867  1.2           10.4      1.4      1.3     6.0
  133   7   1   7  40.308  80.615  1.19074       11.0      1.4      1.3     6.1
  134   5   2   7  40.506  81.012  1.18591       44.4      5.8      5.4     6.1
  135   7   3   5  41.016  82.032  1.17373        8.9      1.2      1.1     6.1
  136   6   4   3  41.64   83.28   1.15928       12.2      1.6      1.5     6.1
  137   6   2   7  41.941  83.883  1.15247       10.0      1.3      1.2     6.1
  138   8   4   0  42.227  84.454  1.14613       22.1      2.9      2.7     6.1
  139   8   1   7  42.265  84.529  1.14531        9.0      1.2      1.1     6.1
  140  12   2   3  42.412  84.824  1.14207        8.1      1.1      1.0     6.1
  141  10   1   6  42.534  85.069  1.13942       11.7      1.5      1.4     6.1
  142   5   4   4  42.585  85.169  1.13833       26.0      3.4      3.1     6.1
  143  14   1   0  42.801  85.603  1.13366       36.0      4.7      4.3     6.1
  144   2   4   5  42.907  85.814  1.13142       10.9      1.4      1.3     6.1
  145   8   4   2  43.581  87.162  1.11735       12.0      1.6      1.4     6.2
  146   6   1   8  43.709  87.419  1.11473       17.0      2.2      2.0     6.2
  147   4   2   8  44.423  88.846  1.10048       29.3      3.8      3.5     6.2
  148   9   1   7  44.467  88.935  1.09961       21.7      2.8      2.6     6.2
  149  14   0   3  44.741  89.482  1.09429       15.9      2.1      1.9     6.2
  150   1   1   9  44.921  89.841  1.09085       25.1      3.3      3.0     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)