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       ***
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GOETZENITE

1, f-lamprophyllite, g-gotzenite

Ca(4)[Ca(1.2)Na(0.8)]NaTi[Si(2)O(7)](2)(F,OH,O)(4)


Triclinic  P 1(-)  Z = 1

R =0.08

4 .12 .1992

Ref.Str.:

         Cannillo E., Mazzi F., Rossi G. (1971)

         * Kristallogr., 16, 1167-1173

                   Initial data from BDM-file 

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

             a =   9.667    alpha =   90.0 
             b =   5.731    beta  =  101.5 
             c =   7.334    gamma =  101.31

    Unit cell volume (cub. angs.) =   390.1 

    Molar volume ( cub.cm/mol.) =   234.97

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

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

   1 0.6389  0.2115  0.9097   0.07   Ca    = 0.6 , Na    = 0.4 
   2 0.9859  0.4955  0.2418   0.57   Ca    = 1.00
   3 0.6305  0.2268  0.4075   0.17   Ca    = 1.00
   4 0.0     0.0     0.5      1.21   Na    = 1.00
   5 0.0     0.0     0.0      0.93   Ti    = 1.00
   6 0.7197  0.7475  0.646    0.74   Si    = 1.00
   7 0.721   0.7471  0.21     0.27   Si    = 1.00
   8 0.762   0.784   0.443    2.33   O     = 1.00
   9 0.619   0.927   0.673    0.02   O     = 1.00
  10 0.614   0.925   0.127    1.45   O     = 1.00
  11 0.636   0.472   0.665    2.09   O     = 1.00
  12 0.676   0.465   0.162    1.09   O     = 1.00
  13 0.879   0.819   0.778    1.72   O     = 1.00
  14 0.881   0.83    0.171    1.47   O     = 1.00
  15 0.884   0.256   0.969    0.28   O     = 1.00
  16 0.89    0.313   0.475    0.53   F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6389     0.2115     0.9097
     2       2     0.9859     0.4955     0.2418
     3       3     0.6305     0.2268     0.4075
     4       4     0.0        0.0        0.5   
     5       5     0.0        0.0        0.0   
     6       6     0.7197     0.7475     0.646 
     7       7     0.721      0.7471     0.21  
     8       8     0.762      0.784      0.443 
     9       9     0.619      0.927      0.673 
    10      10     0.614      0.925      0.127 
    11      11     0.636      0.472      0.665 
    12      12     0.676      0.465      0.162 
    13      13     0.879      0.819      0.778 
    14      14     0.881      0.83       0.171 
    15      15     0.884      0.256      0.969 
    16      16     0.89       0.313      0.475 
    17       1     0.3611     0.7885     0.0903
    18       2     0.0141     0.5045     0.7582
    19       3     0.3695     0.7732     0.5925
    20       6     0.2803     0.2525     0.354 
    21       7     0.279      0.2529     0.79  
    22       8     0.238      0.216      0.557 
    23       9     0.381      0.073      0.327 
    24      10     0.386      0.075      0.873 
    25      11     0.364      0.528      0.335 
    26      12     0.324      0.535      0.838 
    27      13     0.121      0.181      0.222 
    28      14     0.119      0.17       0.829 
    29      15     0.116      0.744      0.031 
    30      16     0.11       0.687      0.525 


X-ray density (g/cm cub.)   =      3.0 

MU (1/cm) =     354.576    Mass attenuation coefficient (cm**2/g) =    118.357

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

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

    1   Ca   ,Na             2.88         6
                                                 2.3351       9
                                                 2.3004      10
                                                 2.3338      11
                                                 2.2791      12
                                                 2.2848      15
                                                 2.3767      10
    2    Ca                  2.88         6
                                                 2.3506      14
                                                 2.3539      15
                                                 2.265       16
                                                 2.4442      13
                                                 2.4643      15
                                                 2.334       16
    3    Ca                  2.88         6
                                                 2.6014       9
                                                 2.6476      10
                                                 2.3398      11
                                                 2.3193      12
                                                 2.4085      16
                                                 2.354        9
    4    Na                  2.808        8
                                                 2.3452       8
                                                 2.6601      13
                                                 2.5589      14
                                                 2.2478      16
                                                 2.3452       8
                                                 2.6601      13
                                                 2.5589      14
                                                 2.2478      16
    5    Ti                  2.568        6
                                                 1.9646      13
                                                 1.9952      14
                                                 2.0013      15
                                                 1.9646      13
                                                 1.9952      14
                                                 2.0013      15
    6    Si                  2.1          4
                                                 1.6238       8
                                                 1.5858       9
                                                 1.6465      11
                                                 1.6231      13
    7    Si                  2.1          4
                                                 1.679        8
                                                 1.6256      10
                                                 1.6094      12
                                                 1.6087      14
    8    O                   3.264        8
                                                 2.6081       9
                                                 2.6837      10
                                                 2.696       11
                                                 2.646       12
                                                 2.4817      13
                                                 2.4836      14
                                                 3.0315      16
                                                 3.1728      16
    9    O                   3.264        5
                                                 2.6081       8
                                                 3.0965      11
                                                 2.6461      11
                                                 2.6705      13
                                                 3.164       10
   10    O                   3.264        6
                                                 2.6837       8
                                                 3.0354      12
                                                 2.8166      12
                                                 2.6985      14
                                                 3.164        9
                                                 2.8589      10
   11    O                   3.264        4
                                                 2.696        8
                                                 2.6461       9
                                                 3.0965       9
                                                 2.7479      13
   12    O                   3.264        6
                                                 2.646        8
                                                 2.8166      10
                                                 3.0354      10
                                                 2.5747      14
                                                 3.0921      15
                                                 3.0202      16
   13    O                   3.264        7
                                                 2.4817       8
                                                 2.6705       9
                                                 2.7479      11
                                                 2.8791      14
                                                 2.857       15
                                                 2.7189      14
                                                 2.751       15
   14    O                   3.264        7
                                                 2.4836       8
                                                 2.6985      10
                                                 2.5747      12
                                                 2.8791      13
                                                 2.854       15
                                                 2.7189      13
                                                 2.7977      15
   15    O                   3.264        6
                                                 3.0921      12
                                                 2.857       13
                                                 2.854       14
                                                 2.751       13
                                                 2.7977      14
                                                 3.1924      15
   16    F                   3.228        4
                                                 3.1728       8
                                                 3.0315       8
                                                 3.0202      12
                                                 2.6745      16

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   1   0   0  5.53   11.061   0.054  212.37    2       22.1      136.2
    2   0   0   1  7.155  14.311   0.07   125.94    2        5.0        4.1
    3  -1   0   1  8.114  16.228   0.079   97.45    2        7.6        7.3
    4   0   1   0  9.166  18.332   0.089   75.89    2       12.4       15.3
    5  -1   1   0  9.722  19.445   0.094   67.21    2        4.6        1.9
    6   1   0   1  9.921  19.842   0.096   64.46    2       32.9       91.6
    7   2   0   0 11.113  22.226   0.108   50.94    2        4.2        1.2
    8   0  -1   1 11.431  22.861   0.111   48.03    2       17.5       19.4
    9  -1   1   1 11.649  23.297   0.113   46.17    2        6.9        2.9
   10   1   1   0 11.655  23.309   0.113   46.12    2       28.2       48.3
   11   0   1   1 11.898  23.796   0.115   44.17    2       20.1       23.4
   12  -2   0   1 11.954  23.909   0.116   43.74    2       20.8       24.9
   13   1  -1   1 12.561  25.123   0.122   39.42    2        9.3        4.5
   14  -1  -1   1 12.898  25.797   0.125   37.28    2       26.6       34.8
   15  -2   1   0 12.952  25.904   0.125   36.95    2       35.9       62.6
   16  -2   1   1 13.887  27.774   0.134   31.88    2       13.5        7.6
   17  -1   0   2 14.369  28.738   0.139   29.65    2       12.4        6.0
   18   0   0   2 14.426  28.851   0.139   29.4     2        8.6        2.8
   19   2   0   1 14.469  28.938   0.14    29.21    2       28.7       31.6
   20   1   1   1 14.515  29.031   0.14    29.01    2       15.7        9.4
   21   2  -1   1 15.774  31.548   0.152   24.27    2       20.5       13.4
   22   2   1   0 15.874  31.748   0.153   23.94    2       27.5       23.9
   23  -2  -1   1 16.319  32.638   0.157   22.56    2       23.2       16.0
   24  -2   0   2 16.397  32.794   0.158   22.32    2       18.2        9.7
   25   1   0   2 16.547  33.094   0.159   21.89    2       17.5        8.8
   26   3   0   0 16.805  33.61    0.162   21.16    2      126.7      446.3
   27  -1   1   2 16.853  33.705   0.162   21.04    2       41.4       47.3
   28   0  -1   2 16.869  33.738   0.162   20.99    2       39.4       42.8
   29  -3   0   1 16.895  33.79    0.162   20.92    2        9.3        2.4
   30  -1  -1   2 17.445  34.891   0.168   19.51    2      142.5      520.3
   31  -3   1   0 17.511  35.021   0.168   19.35    2       82.4      172.6
   32   0   1   2 17.524  35.049   0.168   19.32    2      143.1      520.2
   33  -3   1   1 17.757  35.515   0.17    18.77    2       35.3       30.7
   34  -2   1   2 18.05   36.1     0.173   18.11    2        5.9        0.8
   35   1  -1   2 18.158  36.315   0.174   17.87    2        7.3        1.2
   36  -1   2   0 18.291  36.582   0.175   17.59    2       73.6      125.2
   37   0   2   0 18.578  37.156   0.178   17.0     2       46.5       48.4
   38   2   1   1 18.598  37.195   0.178   16.96    2        2.9        0.2
   39  -1   2   1 19.585  39.17    0.187   15.12    2        3.2        0.2
   40   3   0   1 19.71   39.421   0.189   14.91    2        0.8        0.0
   41   0  -2   1 19.714  39.428   0.189   14.91    2       21.0        8.6
   42  -2   2   0 19.74   39.479   0.189   14.86    2      117.0      267.3
   43  -2  -1   2 19.744  39.489   0.189   14.85    2       57.8       65.3
   44   1  -2   1 19.883  39.766   0.19    14.63    2       14.0        3.8
   45   1   1   2 19.9    39.801   0.19    14.6     2       51.9       51.7
   46  -3   0   2 19.945  39.89    0.191   14.52    2       12.1        2.8
   47   2   0   2 20.157  40.313   0.193   14.19    2        8.7        1.4
   48   3  -1   1 20.186  40.372   0.193   14.14    2       30.7       17.5
   49   0   2   1 20.29   40.579   0.194   13.98    2       30.2       16.8
   50  -2   2   1 20.536  41.072   0.196   13.61    2       25.9       12.0
   51   1   2   0 20.538  41.076   0.196   13.61    2       19.1        6.5
   52  -3   1   2 20.837  41.675   0.199   13.17    2       71.8       89.1
   53  -3  -1   1 20.848  41.696   0.199   13.16    2       18.9        6.2
   54   3   1   0 20.912  41.824   0.2     13.07    2       62.2       66.5
   55   2  -1   2 21.014  42.029   0.2     12.93    2       70.3       83.9
   56  -1  -2   1 21.176  42.351   0.202   12.71    2        7.3        0.9
   57  -1   0   3 21.497  42.994   0.205   12.29    2       16.8        4.5
   58   2  -2   1 21.651  43.301   0.206   12.09    2        7.6        0.9
   59   0   0   3 21.943  43.886   0.209   11.73    2       10.5        1.7
   60  -4   0   1 22.349  44.699   0.213   11.26    2       18.2        4.9
   61   1   2   1 22.521  45.042   0.214   11.06    2        4.2        0.3
   62  -4   1   1 22.545  45.09    0.214   11.04    2       13.9        2.8
   63  -2   0   3 22.586  45.171   0.215   10.99    2        8.1        0.9
   64  -3   2   0 22.643  45.287   0.215   10.93    2       57.5       47.5
   65   4   0   0 22.674  45.348   0.215   10.9     2       39.1       21.9
   66  -4   1   0 22.738  45.476   0.216   10.83    2       19.0        5.1
   67  -3   2   1 22.972  45.945   0.218   10.58    2       15.7        3.4
   68  -3  -1   2 23.338  46.677   0.221   10.21    2       34.5       15.9
   69   0  -2   2 23.351  46.702   0.222   10.19    2       66.4       59.0
   70  -1   2   2 23.363  46.727   0.222   10.18    2       65.6       57.6
   71  -1   1   3 23.45   46.9     0.222   10.1     2        4.5        0.3
   72   3   1   1 23.514  47.027   0.223   10.03    2       27.9       10.3
   73   2   1   2 23.55   47.099   0.223   10.0     2       35.2       16.3
   74   0  -1   3 23.592  47.183   0.224    9.96    2       15.8        3.3
   75  -1  -1   3 23.653  47.306   0.224    9.9     2        2.8        0.1
   76  -2   2   2 23.817  47.634   0.226    9.75    2       50.2       32.3
   77   2   2   0 23.83   47.659   0.226    9.74    2       64.8       53.7
   78   1   0   3 23.856  47.712   0.226    9.71    2       17.0        3.7
   79   1  -2   2 23.879  47.758   0.226    9.69    2       52.7       35.4
   80  -2   1   3 24.0    48.0     0.227    9.58    2        3.7        0.2
   81  -2  -2   1 24.025  48.049   0.228    9.56    2       15.2        2.9
   82  -1  -2   2 24.268  48.535   0.23     9.34    2        4.6        0.3
   83   0   1   3 24.34   48.679   0.23     9.28    2        5.3        0.3
   84   0   2   2 24.352  48.704   0.23     9.27    2        6.3        0.5
   85  -4   0   2 24.473  48.946   0.232    9.16    2       40.1       19.4
   86   3   0   2 24.725  49.449   0.234    8.95    2       38.6       17.5
   87   3  -2   1 24.741  49.481   0.234    8.94    2       19.8        4.6
   88  -4   1   2 24.777  49.555   0.234    8.91    2        1.7        0.0
   89   1  -1   3 24.952  49.903   0.236    8.77    2        2.3        0.1
   90   3  -1   2 25.003  50.007   0.236    8.73    2        4.3        0.2
   91  -3   0   3 25.052  50.104   0.237    8.69    2        2.3        0.1
   92  -2  -1   3 25.128  50.257   0.237    8.63    2        9.4        1.0
   93   4  -1   1 25.314  50.628   0.239    8.49    2       36.8       15.1
   94   4   0   1 25.375  50.749   0.24     8.44    2       10.6        1.3
   95  -3   2   2 25.656  51.311   0.242    8.23    2       52.5       29.8
   96   2  -2   2 25.784  51.567   0.243    8.14    2       50.3       27.1
   97  -3   1   3 25.921  51.842   0.244    8.04    2       18.1        3.5
   98   2   2   1 25.969  51.938   0.245    8.01    2        9.5        0.9
   99  -4  -1   1 26.055  52.111   0.246    7.95    2        2.5        0.1
  100   4   1   0 26.462  52.923   0.249    7.67    2       20.8        4.4
  101  -2  -2   2 26.516  53.031   0.25     7.63    2       22.0        4.8
  102   1   1   3 26.561  53.121   0.25     7.61    2       33.5       11.2
  103  -4   2   1 26.577  53.154   0.25     7.59    2        8.0        0.6
  104  -4   2   0 26.633  53.265   0.251    7.56    2       60.6       36.5
  105   1   2   2 26.663  53.325   0.251    7.54    2       22.3        4.9
  106   2   0   3 26.998  53.996   0.254    7.33    2        4.4        0.2
  107   2  -1   3 27.578  55.155   0.259    6.98    2       13.5        1.7
  108  -3  -1   3 27.852  55.704   0.261    6.83    2       28.6        7.4
  109  -4  -1   2 27.857  55.714   0.261    6.82    2      131.1      154.1
  110  -1   3   0 27.919  55.838   0.262    6.79    2       13.3        1.6
  111  -5   1   1 27.942  55.884   0.262    6.78    2        3.4        0.1
  112  -3  -2   1 27.945  55.889   0.262    6.78    2        9.8        0.9
  113   3   2   0 28.107  56.215   0.263    6.69    2        9.3        0.8
  114   3   1   2 28.109  56.218   0.263    6.69    2      132.2      153.7
  115  -5   0   1 28.2    56.399   0.264    6.64    2       20.7        3.7
  116  -5   1   0 28.443  56.885   0.266    6.51    2       80.7       55.7
  117   0   3   0 28.548  57.095   0.267    6.46    2       46.6       18.4
  118  -2   3   0 28.567  57.134   0.267    6.45    2       17.0        2.5
  119  -4   0   3 28.636  57.271   0.268    6.41    2       31.7        8.5
  120  -4   2   2 28.687  57.373   0.268    6.39    2        3.1        0.1
  121   0  -2   3 28.757  57.514   0.269    6.35    2        9.2        0.7
  122   5   0   0 28.807  57.614   0.269    6.33    2       20.0        3.3
  123   4  -2   1 28.845  57.691   0.27     6.31    2       26.2        5.7
  124   3  -2   2 28.87   57.739   0.27     6.29    2        5.3        0.2
  125  -1   2   3 28.875  57.749   0.27     6.29    2       13.9        1.6
  126  -2   2   3 28.937  57.875   0.27     6.26    2        2.7        0.1
  127  -1   3   1 28.978  57.956   0.271    6.24    2        4.9        0.2
  128   1  -3   1 28.983  57.965   0.271    6.24    2        7.4        0.5
  129   4   1   1 29.012  58.023   0.271    6.22    2        8.4        0.6
  130  -4   1   3 29.018  58.036   0.271    6.22    2        4.3        0.1
  131  -1   0   4 29.201  58.401   0.273    6.13    2      171.4      236.8
  132  -1  -2   3 29.226  58.451   0.273    6.12    2       11.1        1.0
  133   0  -3   1 29.27   58.54    0.273    6.1     2        1.4        0.0
  134  -2   3   1 29.284  58.568   0.273    6.1     2       20.4        3.3
  135   1  -2   3 29.541  59.082   0.276    5.98    2        4.6        0.2
  136  -5   1   2 29.556  59.112   0.276    5.97    2       57.0       25.5
  137  -5   0   2 29.697  59.395   0.277    5.91    2       14.7        1.7
  138  -2   0   4 29.758  59.516   0.277    5.88    2        8.6        0.6
  139   4  -1   2 29.82   59.64    0.278    5.85    2       52.1       20.8
  140   0   0   4 29.884  59.769   0.279    5.82    2        6.2        0.3
  141  -3  -2   2 29.886  59.772   0.279    5.82    2       73.5       41.3
  142   2   1   3 29.907  59.813   0.279    5.81    2       29.0        6.4
  143   0   3   1 29.917  59.833   0.279    5.81    2       13.5        1.4
  144   2  -3   1 29.94   59.88    0.279    5.8     2        1.6        0.0
  145   4   0   2 29.981  59.963   0.279    5.78    2       11.4        1.0
  146   0   2   3 30.055  60.11    0.28     5.75    2       25.7        5.0
  147   2   2   2 30.085  60.169   0.28     5.74    2       69.1       36.0
  148  -3   2   3 30.239  60.478   0.282    5.67    2        8.4        0.5
  149   3   2   1 30.353  60.705   0.282    5.62    2       21.1        3.3
  150   1   3   0 30.402  60.804   0.283    5.6     2       13.3        1.3
  151  -3   3   0 30.439  60.878   0.283    5.59    2       47.7       16.7
  152  -1  -3   1 30.781  61.561   0.286    5.45    2        9.0        0.6
  153  -3   3   1 30.813  61.625   0.286    5.44    2        6.0        0.3
  154  -1  -1   4 30.858  61.716   0.287    5.42    2        0.7        0.0
  155  -1   1   4 30.899  61.797   0.287    5.41    2        0.3        0.0
  156  -2  -2   3 30.911  61.822   0.287    5.4     2       40.6       11.7
  157   5  -1   1 30.993  61.985   0.288    5.37    2        9.4        0.6
  158  -2   1   4 31.041  62.082   0.288    5.35    2       22.3        3.5
  159  -5   2   1 31.086  62.171   0.289    5.33    2        1.6        0.0
  160   3   0   3 31.123  62.246   0.289    5.32    2       31.9        7.1
  161   0  -1   4 31.123  62.247   0.289    5.32    2       24.0        4.0
  162   3  -1   3 31.259  62.517   0.29     5.27    2       31.1        6.7
  163   5   0   1 31.443  62.885   0.292    5.2     2       16.8        1.9
  164  -5   2   0 31.451  62.902   0.292    5.2     2       66.9       30.6
  165  -3   0   4 31.517  63.033   0.292    5.18    2        5.8        0.2
  166   2  -2   3 31.52   63.04    0.292    5.17    2       18.5        2.3
  167  -4  -1   3 31.614  63.228   0.293    5.14    2       13.5        1.2
  168   1   0   4 31.761  63.521   0.294    5.09    2        8.6        0.5
  169  -2  -1   4 31.792  63.584   0.295    5.08    2        1.8        0.0
  170  -5  -1   1 31.807  63.613   0.295    5.07    2       27.4        5.0
  171   0   1   4 31.954  63.907   0.296    5.02    2        0.5        0.0
  172   0  -3   2 31.996  63.992   0.296    5.01    2      101.0       67.1
  173  -2   3   2 32.005  64.009   0.296    5.0     2       84.6       47.0
  174  -1   3   2 32.026  64.052   0.296    5.0     2      101.4       67.6
  175   1   3   1 32.034  64.067   0.297    4.99    2       17.6        2.0
  176   1  -3   2 32.035  64.071   0.297    4.99    2       83.4       45.7
  177   3  -3   1 32.074  64.148   0.297    4.98    2        2.0        0.0
  178  -3   1   4 32.372  64.744   0.299    4.88    2       16.4        1.7
  179   1   2   3 32.396  64.793   0.299    4.87    2       24.0        3.7
  180   5   1   0 32.475  64.949   0.3      4.85    2       43.3       11.9
  181   1  -1   4 32.572  65.145   0.301    4.82    2       18.1        2.1
  182  -4   2   3 32.69   65.38    0.302    4.78    2       30.4        5.8
  183  -5   2   2 32.706  65.412   0.302    4.78    2       63.4       25.2
  184  -4  -2   1 32.71   65.421   0.302    4.77    2        4.7        0.1
  185   4  -2   2 32.935  65.871   0.304    4.7     2       62.6       24.3
  186  -5   1   3 33.093  66.185   0.305    4.66    2        7.8        0.4
  187  -5  -1   2 33.105  66.21    0.305    4.65    2       19.1        2.2
  188  -5   0   3 33.124  66.248   0.305    4.65    2       41.4       10.5
  189  -1  -3   2 33.13   66.261   0.306    4.65    2        1.1        0.0
  190  -3   3   2 33.156  66.313   0.306    4.64    2        7.9        0.4
  191   4   2   0 33.165  66.33    0.306    4.64    2       52.9       17.0
  192   0   3   2 33.219  66.438   0.306    4.62    2        1.9        0.0
  193   2  -3   2 33.246  66.492   0.306    4.61    2        7.4        0.3
  194   2   3   0 33.361  66.721   0.307    4.58    2       30.4        5.5
  195   4   1   2 33.392  66.784   0.308    4.57    2       17.6        1.9
  196  -4   3   0 33.413  66.827   0.308    4.56    2        7.5        0.3
  197  -2  -3   1 33.417  66.835   0.308    4.56    2        5.5        0.2
  198  -4   3   1 33.465  66.931   0.308    4.55    2       20.0        2.4
  199  -3  -2   3 33.708  67.416   0.31     4.48    2       22.8        3.1
  200   5  -2   1 33.767  67.535   0.311    4.46    2       20.1        2.4
  201  -3  -1   4 33.871  67.743   0.312    4.43    2       16.9        1.7
  202  -6   1   1 33.877  67.754   0.312    4.43    2        9.0        0.5
  203   1   1   4 34.145  68.29    0.314    4.36    2       16.4        1.5
  204  -4  -2   2 34.193  68.385   0.314    4.35    2       66.7       25.5
  205   3   1   3 34.193  68.385   0.314    4.35    2       15.7        1.4
  206  -4   0   4 34.373  68.747   0.316    4.3     2       90.9       46.7
  207   3   2   2 34.436  68.872   0.316    4.28    2       67.9       25.9
  208  -6   0   1 34.486  68.971   0.317    4.27    2       16.7        1.6
  209   3  -2   3 34.579  69.158   0.317    4.25    2       29.9        5.0
  210  -6   1   0 34.625  69.251   0.318    4.24    2       65.0       23.5
  211   2   0   4 34.723  69.446   0.318    4.21    2       89.0       43.9
  212  -4   1   4 34.818  69.636   0.319    4.19    2       54.9       16.6
  213  -6   1   2 35.036  70.072   0.321    4.14    2       67.8       25.0
  214   5   1   1 35.051  70.102   0.321    4.13    2        2.5        0.0
  215   2  -1   4 35.127  70.255   0.322    4.11    2       55.6       16.7
  216   2   3   1 35.215  70.43    0.322    4.09    2        2.8        0.0
  217   4  -3   1 35.271  70.542   0.323    4.08    2       22.4        2.7
  218   6   0   0 35.326  70.653   0.323    4.07    2       25.3        3.4
  219   5  -1   2 35.335  70.669   0.323    4.07    2       68.8       25.3
  220  -2  -3   2 35.381  70.761   0.324    4.06    2       45.7       11.2
  221  -4   3   2 35.423  70.846   0.324    4.05    2       59.9       19.1
  222  -2   2   4 35.438  70.876   0.324    4.04    2       51.5       14.1
  223   0  -2   4 35.477  70.954   0.324    4.03    2       48.8       12.6
  224   4   2   1 35.519  71.039   0.325    4.02    2       31.2        5.1
  225   1   3   2 35.524  71.049   0.325    4.02    2       47.0       11.7
  226  -6   0   2 35.538  71.076   0.325    4.02    2       38.2        7.7
  227   3  -3   2 35.567  71.135   0.325    4.01    2       63.6       21.3
  228  -1  -2   4 35.601  71.203   0.325    4.01    2       21.3        2.4
  229  -1   2   4 35.677  71.355   0.326    3.99    2       22.9        2.7
  230   2   2   3 35.78   71.561   0.327    3.97    2        6.1        0.2
  231   4  -1   3 35.836  71.672   0.327    3.95    2       29.7        4.6
  232   5   0   2 35.854  71.708   0.327    3.95    2       39.8        8.2
  233   4   0   3 36.08   72.16    0.329    3.9     2       18.4        1.7
  234  -5   2   3 36.172  72.345   0.33     3.88    2       10.5        0.6
  235  -5  -1   3 36.263  72.527   0.331    3.86    2       17.5        1.6
  236  -3   2   4 36.32   72.64    0.331    3.85    2       72.0       26.2
  237  -6   2   1 36.366  72.732   0.331    3.84    2        1.3        0.0
  238   1  -2   4 36.473  72.946   0.332    3.82    2       69.6       24.4
  239   0  -3   3 36.48   72.961   0.332    3.82    2        7.2        0.3
  240  -2   3   3 36.484  72.968   0.332    3.82    2        1.6        0.0
  241  -1   3   3 36.796  73.592   0.335    3.76    2        5.3        0.1
  242   1  -3   3 36.809  73.619   0.335    3.76    2       29.7        4.4
  243  -2  -2   4 36.841  73.682   0.335    3.75    2       36.4        6.5
  244  -6   2   0 36.996  73.993   0.336    3.72    2       36.7        6.6
  245  -4  -1   4 37.004  74.008   0.336    3.72    2       52.8       13.6
  246   0   2   4 37.029  74.059   0.337    3.71    2       35.1        6.0
  247  -3  -3   1 37.067  74.133   0.337    3.71    2       18.6        1.7
  248  -5   3   1 37.129  74.258   0.337    3.7     2       45.6       10.1
  249   6  -1   1 37.23   74.461   0.338    3.68    2        3.5        0.1
  250  -1  -3   3 37.261  74.522   0.338    3.67    2       17.1        1.4
  251  -3   3   3 37.281  74.563   0.339    3.67    2       21.1        2.2
  252   3   3   0 37.303  74.606   0.339    3.66    2       87.5       36.9
  253  -5   3   0 37.37   74.74    0.339    3.65    2       63.6       19.4
  254   2   1   4 37.381  74.761   0.339    3.65    2       48.8       11.4
  255  -4  -2   3 37.503  75.006   0.34     3.63    2        2.0        0.0
  256  -6   2   2 37.587  75.175   0.341    3.61    2       68.3       22.1
  257  -1   0   5 37.63   75.259   0.341    3.61    2        2.3        0.0
  258  -2   0   5 37.834  75.668   0.343    3.57    2        5.5        0.1
  259   5  -2   2 37.86   75.719   0.343    3.57    2       67.7       21.5
  260   6   0   1 38.007  76.014   0.344    3.54    2       22.6        2.4
  261  -6   1   3 38.026  76.053   0.344    3.54    2        7.0        0.2
  262  -6  -1   1 38.128  76.257   0.345    3.52    2        6.3        0.2
  263   0   3   3 38.207  76.415   0.346    3.51    2       34.1        5.4
  264  -5   0   4 38.223  76.446   0.346    3.51    2       15.2        1.1
  265  -5  -2   1 38.235  76.47    0.346    3.51    2        5.1        0.1
  266   2  -3   3 38.237  76.474   0.346    3.51    2       12.0        0.7
  267  -5   1   4 38.288  76.577   0.346    3.5     2       14.1        0.9
  268  -4   2   4 38.293  76.587   0.346    3.5     2       23.6        2.6
  269  -6   0   3 38.418  76.836   0.347    3.48    2        7.5        0.3
  270   0   0   5 38.522  77.044   0.348    3.46    2       28.3        3.6
  271   2  -2   4 38.555  77.11    0.348    3.46    2       22.9        2.4
  272   4  -2   3 38.615  77.229   0.349    3.45    2        8.0        0.3
  273  -3  -3   2 38.667  77.333   0.349    3.44    2       49.4       11.1
  274   3   0   4 38.67   77.34    0.349    3.44    2       18.8        1.6
  275  -1   4   0 38.688  77.375   0.349    3.44    2       32.3        4.7
  276   3  -1   4 38.698  77.397   0.349    3.43    2       10.9        0.5
  277  -5   3   2 38.724  77.448   0.35     3.43    2       30.6        4.2
  278   2   3   2 38.861  77.723   0.351    3.41    2       50.6       11.5
  279  -2   4   0 38.88   77.76    0.351    3.41    2       66.3       19.7
  280   4  -3   2 38.919  77.839   0.351    3.4     2       28.8        3.7
  281   5   2   0 38.947  77.894   0.351    3.4     2       61.4       16.8
  282  -1  -1   5 39.01   78.021   0.352    3.39    2        4.8        0.1
  283   6   1   0 39.033  78.065   0.352    3.38    2       41.5        7.6
  284  -6  -1   2 39.048  78.095   0.352    3.38    2       21.6        2.1
  285  -2   1   5 39.079  78.158   0.352    3.38    2        3.6        0.1
  286  -2  -3   3 39.127  78.255   0.353    3.37    2       12.2        0.7
  287  -3   0   5 39.13   78.26    0.353    3.37    2       27.1        3.2
  288  -3  -2   4 39.157  78.313   0.353    3.37    2       48.3       10.3
  289  -4   3   3 39.164  78.328   0.353    3.37    2        2.8        0.0
  290  -1   1   5 39.236  78.472   0.354    3.36    2       21.7        2.1
  291   4   1   3 39.326  78.653   0.354    3.34    2        0.0        0.0
  292  -5  -2   2 39.344  78.689   0.354    3.34    2        6.0        0.2
  293   3   3   1 39.365  78.729   0.355    3.34    2        9.0        0.4
  294   5   1   2 39.372  78.743   0.355    3.34    2       22.2        2.2
  295   5  -3   1 39.435  78.869   0.355    3.33    2        7.9        0.3
  296   6  -2   1 39.447  78.895   0.355    3.33    2        5.5        0.1
  297   1   2   4 39.452  78.904   0.355    3.33    2       44.9        8.8
  298   1  -4   1 39.503  79.007   0.356    3.32    2       28.9        3.6
  299   0  -1   5 39.535  79.07    0.356    3.32    2       19.3        1.6
  300  -2  -1   5 39.572  79.143   0.356    3.31    2       24.5        2.6
  301   0   4   0 39.582  79.165   0.356    3.31    2      101.2       44.6
  302  -2   4   1 39.594  79.189   0.356    3.31    2       19.2        1.6
  303   4   2   2 39.631  79.262   0.357    3.3     2        5.8        0.1
  304  -1   4   1 39.687  79.375   0.357    3.29    2       21.2        1.9
  305   2  -4   1 39.979  79.958   0.359    3.26    2        8.1        0.3
  306  -3   1   5 40.006  80.012   0.359    3.25    2        3.7        0.1
  307   0  -4   1 40.11   80.22    0.36     3.24    2        1.4        0.0
  308   3   2   3 40.119  80.238   0.36     3.24    2       15.3        1.0
  309  -3   4   0 40.156  80.312   0.36     3.24    2       84.7       30.5
  310  -7   1   1 40.421  80.842   0.362    3.2     2       15.2        1.0
  311   0   1   5 40.475  80.949   0.363    3.2     2       14.2        0.8
  312   1   0   5 40.489  80.978   0.363    3.2     2       32.5        4.4
  313  -3   4   1 40.582  81.163   0.364    3.18    2        2.3        0.0
  314  -6   2   3 40.605  81.209   0.364    3.18    2       36.0        5.4
  315   1   3   3 40.682  81.364   0.364    3.17    2        7.4        0.2
  316   3  -3   3 40.727  81.455   0.365    3.17    2        1.6        0.0
  317   0   4   1 40.859  81.719   0.366    3.15    2        4.2        0.1
  318  -5  -1   4 41.118  82.236   0.368    3.13    2        8.4        0.3
  319   1  -1   5 41.135  82.27    0.368    3.12    2       32.3        4.3
  320  -3  -1   5 41.207  82.415   0.368    3.12    2        6.1        0.2
  321  -7   1   2 41.231  82.462   0.368    3.11    2       56.7       13.1
  322   5  -1   3 41.257  82.514   0.369    3.11    2        8.0        0.3
  323  -5   2   4 41.311  82.621   0.369    3.11    2       47.8        9.3
  324  -7   0   1 41.348  82.697   0.369    3.1     2        1.7        0.0
  325  -7   1   0 41.407  82.814   0.37     3.1     2        4.3        0.1
  326   5   2   1 41.455  82.911   0.37     3.09    2       10.6        0.5
  327  -4   0   5 41.489  82.977   0.37     3.09    2        9.1        0.3
  328   3  -4   1 41.528  83.057   0.371    3.08    2        3.0        0.0
  329   1   4   0 41.547  83.093   0.371    3.08    2        6.6        0.2
  330   6  -1   2 41.57   83.139   0.371    3.08    2       55.1       12.3
  331   3   1   4 41.594  83.187   0.371    3.08    2        4.5        0.1
  332  -4  -3   1 41.662  83.323   0.372    3.07    2       29.7        3.5
  333   3  -2   4 41.677  83.354   0.372    3.07    2       46.1        8.6
  334   6   1   1 41.728  83.456   0.372    3.06    2       10.8        0.5
  335  -6   3   1 41.739  83.477   0.372    3.06    2        2.8        0.0
  336  -6  -1   3 41.758  83.516   0.372    3.06    2       10.1        0.4
  337  -1  -4   1 41.788  83.575   0.372    3.06    2        4.4        0.1
  338   5   0   3 41.845  83.691   0.373    3.05    2        1.2        0.0
  339  -4   1   5 42.0    84.0     0.374    3.04    2       43.6        7.6
  340  -3  -3   3 42.041  84.082   0.374    3.03    2       23.6        2.2
  341  -7   0   2 42.062  84.125   0.374    3.03    2       34.5        4.8
  342  -5   3   3 42.093  84.186   0.375    3.03    2        4.8        0.1
  343  -2   4   2 42.099  84.198   0.375    3.03    2        5.4        0.1
  344   1  -4   2 42.109  84.217   0.375    3.03    2        6.0        0.1
  345   4   3   0 42.172  84.344   0.375    3.02    2       36.1        5.2
  346  -5  -2   3 42.238  84.477   0.376    3.02    2        9.0        0.3
  347  -6   3   0 42.253  84.506   0.376    3.02    2       39.1        6.0
  348   6   0   2 42.418  84.836   0.377    3.0     2       33.8        4.5
  349   7   0   0 42.424  84.847   0.377    3.0     2       20.0        1.6
  350  -7   2   1 42.427  84.853   0.377    3.0     2       11.8        0.5
  351   0  -4   2 42.427  84.854   0.377    3.0     2        0.1        0.0
  352  -1   4   2 42.472  84.944   0.377    3.0     2        1.1        0.0
  353  -4   4   0 42.493  84.985   0.378    2.99    2       33.7        4.5
  354  -4  -2   4 42.504  85.008   0.378    2.99    2       11.0        0.5
  355  -2   3   4 42.547  85.094   0.378    2.99    2       22.4        2.0
  356   0  -3   4 42.548  85.096   0.378    2.99    2       24.5        2.4
  357  -4   4   1 42.633  85.267   0.379    2.98    2        4.5        0.1
  358  -6   1   4 42.73   85.46    0.379    2.98    2       62.2       15.1
  359   1   1   5 42.774  85.548   0.38     2.97    2       18.4        1.3
  360  -3   4   2 42.795  85.59    0.38     2.97    2       19.8        1.5
  361   2  -4   2 42.859  85.718   0.38     2.96    2       17.2        1.2
  362   2   2   4 42.904  85.808   0.381    2.96    2        8.9        0.3
  363  -4  -3   2 42.938  85.876   0.381    2.96    2        5.9        0.1
  364  -6   3   2 43.01   86.021   0.381    2.95    2       15.4        0.9
  365  -1  -3   4 43.019  86.038   0.381    2.95    2       24.5        2.3
  366  -6   0   4 43.019  86.038   0.381    2.95    2       27.5        2.9
  367  -3   3   4 43.034  86.069   0.381    2.95    2       15.4        0.9
  368   1   4   1 43.092  86.185   0.382    2.95    2       18.2        1.3
  369  -1   3   4 43.127  86.254   0.382    2.94    2       26.6        2.7
  370   1  -3   4 43.144  86.288   0.382    2.94    2       13.1        0.7
  371   3   3   2 43.183  86.366   0.383    2.94    2        9.1        0.3
  372   4  -1   4 43.24   86.479   0.383    2.94    2       62.6       15.1
  373  -2   2   5 43.24   86.48    0.383    2.94    2       15.9        1.0
  374   5  -3   2 43.256  86.513   0.383    2.93    2       16.5        1.0
  375  -1  -2   5 43.304  86.608   0.383    2.93    2       35.2        4.8
  376  -7   2   0 43.313  86.625   0.383    2.93    2        6.2        0.1
  377  -7   2   2 43.323  86.646   0.384    2.93    2       30.2        3.5
  378   0  -2   5 43.467  86.933   0.385    2.92    2       19.8        1.5
  379   2   0   5 43.502  87.003   0.385    2.92    2       16.2        1.0
  380   4   0   4 43.565  87.129   0.385    2.91    2       25.3        2.5
  381   5  -2   3 43.591  87.182   0.385    2.91    2       11.5        0.5
  382   6  -2   2 43.642  87.283   0.386    2.91    2       30.7        3.6
  383  -1   2   5 43.747  87.494   0.387    2.9     2       30.8        3.6
  384   2  -1   5 43.789  87.578   0.387    2.9     2       25.4        2.4
  385  -3   2   5 43.799  87.598   0.387    2.9     2       30.6        3.6
  386  -1  -4   2 43.811  87.622   0.387    2.9     2        4.2        0.1
  387  -7   1   3 43.821  87.643   0.387    2.9     2        2.0        0.0
  388  -4  -1   5 43.897  87.794   0.388    2.89    2       30.3        3.5
  389   0   4   2 43.91   87.821   0.388    2.89    2        3.5        0.0
  390   4  -4   1 44.133  88.266   0.389    2.88    2       11.0        0.5
  391   7  -1   1 44.171  88.341   0.39     2.87    2       20.8        1.6
  392   2   3   3 44.19   88.38    0.39     2.87    2        6.0        0.1
  393  -2  -2   5 44.207  88.414   0.39     2.87    2        1.3        0.0
  394   4  -3   3 44.251  88.502   0.39     2.87    2       14.7        0.8
  395   4   3   1 44.462  88.923   0.392    2.86    2        1.5        0.0
  396  -2  -4   1 44.519  89.039   0.392    2.85    2       12.8        0.6
  397   6  -3   1 44.547  89.093   0.392    2.85    2       12.2        0.6
  398  -4   4   2 44.554  89.109   0.392    2.85    2       31.5        3.7
  399  -2  -3   4 44.554  89.109   0.392    2.85    2        8.5        0.3
  400  -7   0   3 44.555  89.109   0.392    2.85    2       20.1        1.5
  401   2   4   0 44.56   89.12    0.392    2.85    2       56.6       12.0
  402  -6  -2   1 44.576  89.151   0.392    2.85    2        3.0        0.0
  403  -4   3   4 44.586  89.172   0.392    2.85    2       24.4        2.2
  404   3  -4   2 44.673  89.346   0.393    2.85    2       31.4        3.7
  405   1  -2   5 44.694  89.387   0.393    2.84    2        1.3        0.0
  406   0   3   4 44.771  89.543   0.394    2.84    2        8.8        0.3
  407   2  -3   4 44.804  89.609   0.394    2.84    2       22.8        1.9
  408  -5   0   5 44.888  89.777   0.394    2.83    2       34.6        4.5


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (angs.):

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

    1   1   0   0   5.53   11.061  9.28128      136.2     19.7     20.0     5.6
    2  -1   0   1   8.114  16.228  6.33714        7.3      1.1      1.1     5.6
    3   0   1   0   9.166  18.332  5.61505       15.3      2.2      2.2     5.6
    4   1   0   1   9.921  19.842  5.19151       91.6     13.2     13.4     5.6
    5   0  -1   1  11.431  22.861  4.5133        19.4      2.8      2.8     5.6
    6   1   1   0  11.655  23.309  4.4278        51.2      7.4      7.5     5.6
    7   0   1   1  11.898  23.796  4.33846       23.4      3.4      3.4     5.6
    8  -2   0   1  11.954  23.909  4.31831       24.9      3.6      3.6     5.6
    9  -1  -1   1  12.898  25.797  4.00706       34.8      5.0      5.1     5.6
   10  -2   1   0  12.952  25.904  3.99073       62.6      9.0      9.1     5.6
   11  -2   1   1  13.887  27.774  3.72678        7.6      1.1      1.1     5.6
   12   2   0   1  14.469  28.938  3.57987       31.6      4.6      4.6     5.6
   13   1   1   1  14.515  29.031  3.56872        9.4      1.4      1.4     5.6
   14   2  -1   1  15.774  31.548  3.29032       13.4      1.9      1.9     5.6
   15   2   1   0  15.874  31.748  3.27012       23.9      3.4      3.5     5.6
   16  -2  -1   1  16.319  32.638  3.18327       16.0      2.3      2.3     5.6
   17  -2   0   2  16.397  32.794  3.16857        9.7      1.4      1.4     5.6
   18   1   0   2  16.547  33.094  3.14061        8.8      1.3      1.3     5.6
   19   3   0   0  16.805  33.61   3.09376      446.3     64.4     64.5     5.7
   20  -1   1   2  16.853  33.705  3.08529       90.1     13.0     13.0     5.7
   21  -1  -1   2  17.445  34.891  2.98354      520.3     75.1     75.1     5.7
   22   0   1   2  17.524  35.049  2.97053      692.8    100.0    100.0     5.7
   23  -3   1   1  17.757  35.515  2.93279       30.7      4.4      4.4     5.7
   24  -1   2   0  18.291  36.582  2.84999      125.2     18.1     18.1     5.7
   25   0   2   0  18.578  37.156  2.80753       48.6      7.0      7.0     5.7
   26  -2   2   0  19.74   39.479  2.64831      341.2     49.2     49.0     5.7
   27   1   1   2  19.9    39.801  2.62777       55.5      8.0      8.0     5.7
   28   3  -1   1  20.186  40.372  2.59209       17.5      2.5      2.5     5.7
   29   0   2   1  20.29   40.579  2.57943       16.8      2.4      2.4     5.7
   30  -2   2   1  20.536  41.072  2.54982       18.5      2.7      2.7     5.7
   31  -3   1   2  20.837  41.675  2.51453       95.3     13.8     13.7     5.7
   32   3   1   0  20.912  41.824  2.50598       66.5      9.6      9.5     5.7
   33   2  -1   2  21.014  42.029  2.4943        83.9     12.1     12.0     5.7
   34  -3   2   0  22.643  45.287  2.3233        47.5      6.9      6.8     5.7
   35   4   0   0  22.674  45.348  2.32032       21.9      3.2      3.1     5.7
   36  -1   2   2  23.363  46.727  2.25555      132.6     19.1     18.9     5.7
   37   3   1   1  23.514  47.027  2.24195       10.3      1.5      1.5     5.7
   38   2   1   2  23.55   47.099  2.23871       16.3      2.3      2.3     5.7
   39   2   2   0  23.83   47.659  2.2139        86.1     12.4     12.3     5.7
   40   1  -2   2  23.879  47.758  2.20961       39.1      5.6      5.6     5.7
   41  -4   0   2  24.473  48.946  2.15915       19.4      2.8      2.8     5.7
   42   3   0   2  24.725  49.449  2.13853       22.2      3.2      3.2     5.7
   43   4  -1   1  25.314  50.628  2.09191       15.1      2.2      2.1     5.8
   44  -3   2   2  25.656  51.311  2.06591       29.8      4.3      4.2     5.8
   45   2  -2   2  25.784  51.567  2.05635       27.1      3.9      3.8     5.8
   46   1   1   3  26.561  53.121  2.00038       11.8      1.7      1.7     5.8
   47  -4   2   0  26.633  53.265  1.99536       36.5      5.3      5.2     5.8
   48  -4  -1   2  27.857  55.714  1.91423      161.4     23.3     22.8     5.8
   49   3   1   2  28.109  56.218  1.89847      153.7     22.2     21.7     5.8
   50  -5   1   0  28.443  56.885  1.87801       55.7      8.0      7.8     5.8
   51   0   3   0  28.548  57.095  1.87168       20.9      3.0      2.9     5.8
   52  -4   0   3  28.636  57.271  1.86642        8.5      1.2      1.2     5.8
   53  -1   0   4  29.201  58.401  1.83341      237.8     34.3     33.4     5.8
   54  -5   1   2  29.556  59.112  1.8133        25.5      3.7      3.6     5.8
   55   4  -1   2  29.82   59.64   1.79872       20.8      3.0      2.9     5.8
   56  -3  -2   2  29.886  59.772  1.79512       47.8      6.9      6.7     5.8
   57   2   2   2  30.085  60.169  1.78436       36.0      5.2      5.1     5.8
   58  -3   3   0  30.439  60.878  1.76554       16.7      2.4      2.3     5.8
   59  -2  -2   3  30.911  61.822  1.74118       11.7      1.7      1.6     5.8
   60   3   0   3  31.123  62.246  1.7305        11.1      1.6      1.6     5.8
   61  -5   2   0  31.451  62.902  1.71428       32.5      4.7      4.5     5.9
   62   0  -3   2  31.996  63.992  1.6881       114.1     16.5     15.9     5.9
   63  -1   3   2  32.026  64.052  1.6867       115.3     16.6     16.1     5.9
   64   5   1   0  32.475  64.949  1.66589       11.9      1.7      1.7     5.9
   65  -5   2   2  32.706  65.412  1.65541       31.1      4.5      4.3     5.9
   66   4  -2   2  32.935  65.871  1.64516       24.3      3.5      3.4     5.9
   67  -5   0   3  33.124  66.248  1.63684       12.7      1.8      1.8     5.9
   68   4   2   0  33.165  66.33   1.63506       17.0      2.5      2.4     5.9
   69  -4  -2   2  34.193  68.385  1.59164       26.9      3.9      3.7     5.9
   70  -4   0   4  34.373  68.747  1.58429       46.7      6.7      6.5     5.9
   71   3   2   2  34.436  68.872  1.58176       25.9      3.7      3.6     5.9
   72  -6   1   0  34.625  69.251  1.57417       23.5      3.4      3.2     5.9
   73   2   0   4  34.723  69.446  1.57031       43.9      6.3      6.1     5.9
   74  -4   1   4  34.818  69.636  1.56656       16.6      2.4      2.3     5.9
   75  -6   1   2  35.036  70.072  1.55805       25.0      3.6      3.5     5.9
   76   2  -1   4  35.127  70.255  1.55451       16.7      2.4      2.3     5.9
   77   5  -1   2  35.335  70.669  1.54657       28.7      4.1      4.0     5.9
   78  -2  -3   2  35.381  70.761  1.54482       11.2      1.6      1.5     5.9
   79  -4   3   2  35.423  70.846  1.54322       33.2      4.8      4.6     5.9
   80   0  -2   4  35.477  70.954  1.54117       12.6      1.8      1.7     5.9
   81  -6   0   2  35.538  71.076  1.53888       45.9      6.6      6.3     5.9
   82   5   0   2  35.854  71.708  1.52711       12.8      1.8      1.8     5.9
   83  -3   2   4  36.32   72.64   1.51015       26.2      3.8      3.6     6.0
   84   1  -2   4  36.473  72.946  1.50471       24.6      3.6      3.4     6.0
   85  -4  -1   4  37.004  74.008  1.48613       26.2      3.8      3.6     6.0
   86  -5   3   1  37.129  74.258  1.48184       10.1      1.5      1.4     6.0
   87   3   3   0  37.303  74.606  1.47593       40.4      5.8      5.5     6.0
   88  -5   3   0  37.37   74.74   1.47368       30.8      4.4      4.2     6.0
   89  -6   2   2  37.587  75.175  1.4664        22.1      3.2      3.0     6.0
   90   5  -2   2  37.86   75.719  1.45742       21.5      3.1      2.9     6.0
   91   0   3   3  38.207  76.415  1.44615        7.2      1.0      1.0     6.0
   92  -3  -3   2  38.667  77.333  1.43163       17.3      2.5      2.4     6.0
   93  -2   4   0  38.88   77.76   1.42499       31.2      4.5      4.2     6.0
   94   5   2   0  38.947  77.894  1.42293       20.6      3.0      2.8     6.0
   95   6   1   0  39.033  78.065  1.42031        9.7      1.4      1.3     6.0
   96  -3  -2   4  39.157  78.313  1.41654       13.6      2.0      1.8     6.0
   97   1   2   4  39.452  78.904  1.40764        8.8      1.3      1.2     6.0
   98   0   4   0  39.582  79.165  1.40376       48.8      7.0      6.6     6.0
   99  -3   4   0  40.156  80.312  1.38704       30.5      4.4      4.1     6.0
  100  -7   1   2  41.231  82.462  1.3571        13.4      1.9      1.8     6.1
  101  -5   2   4  41.311  82.621  1.35495        9.3      1.3      1.3     6.1
  102   6  -1   2  41.57   83.139  1.34803       12.4      1.8      1.7     6.1
  103   3  -2   4  41.677  83.354  1.34519       12.1      1.7      1.6     6.1
  104  -4   1   5  42.0    84.0    1.33674        7.6      1.1      1.0     6.1
  105  -7   0   2  42.062  84.125  1.33514        7.0      1.0      0.9     6.1
  106  -6   1   4  42.73   85.46   1.31821       15.1      2.2      2.0     6.1
  107   4  -1   4  43.24   86.479  1.30568       17.1      2.5      2.3     6.1
  108  -1  -2   5  43.304  86.608  1.30412        8.4      1.2      1.1     6.1
  109   2   4   0  44.56   89.12   1.27479       19.8      2.9      2.6     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)