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

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

3, Zr, f-lamprophyllite, g-gotzenite

(Ca,Zr)(2)(Ca,Na)(2)Ca(2)(Na,Ca)Ti[Si(2)O(7)](2)(F,OH,O)(4)


Triclinic  P 1(-)  Z = 1

R =0.0041          NR =1373

7 .7 .1905

Ref.Str.:

         M. Bellezza, S. Merlino, N. Perchiazzi (2004)

         * Eur. J. Mineral., 16, 957-969

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   9.636    alpha =   89.94
             b =   7.341    beta  =  100.74
             c =   5.737    gamma =  101.05

    Unit cell volume (cub. angs.) =   391.07

    Molar volume ( cub.cm/mol.) =   235.56

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

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

   1 0.6322  0.9096  0.2218   0.0    Ca    = 0.88, Zr    = 0.14
   2 0.6345  0.4078  0.2194   0.0    Ca    = 1.00
   3 0.9035  0.2421  0.496    0.0    Ca    = 0.65, Na    = 0.32
   4 0.0     0.5     0.0      0.0    Na    = 0.42, Ca    = 0.58
   5 0.0     0.0     0.0      0.0    Ti    = 0.98, Ti    = 0.0 
   6 0.7179  0.6529  0.7478   0.0    Si    = 1.00
   7 0.7229  0.2132  0.751    0.0    Si    = 1.00
   8 0.7592  0.4424  0.7899   0.0    O     = 1.00
   9 0.6147  0.6689  0.9339   0.0    O     = 1.00
  10 0.6181  0.1407  0.9314   0.0    O     = 1.00
  11 0.6467  0.6648  0.4764   0.0    O     = 1.00
  12 0.6706  0.1664  0.4755   0.0    O     = 1.00
  13 0.8791  0.7806  0.8184   0.0    O     = 1.00
  14 0.8848  0.1722  0.8307   0.0    O     = 1.00
  15 0.8888  0.4757  0.3059   0.0    F     = 1.00
  16 0.8856  0.9688  0.2635   0.0    F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6322     0.9096     0.2218
     2       2     0.6345     0.4078     0.2194
     3       3     0.9035     0.2421     0.496 
     4       4     0.0        0.5        0.0   
     5       5     0.0        0.0        0.0   
     6       6     0.7179     0.6529     0.7478
     7       7     0.7229     0.2132     0.751 
     8       8     0.7592     0.4424     0.7899
     9       9     0.6147     0.6689     0.9339
    10      10     0.6181     0.1407     0.9314
    11      11     0.6467     0.6648     0.4764
    12      12     0.6706     0.1664     0.4755
    13      13     0.8791     0.7806     0.8184
    14      14     0.8848     0.1722     0.8307
    15      15     0.8888     0.4757     0.3059
    16      16     0.8856     0.9688     0.2635
    17       1     0.3678     0.0904     0.7782
    18       2     0.3655     0.5922     0.7806
    19       3     0.0965     0.7579     0.504 
    20       6     0.2821     0.3471     0.2522
    21       7     0.2771     0.7868     0.249 
    22       8     0.2408     0.5576     0.2101
    23       9     0.3853     0.3311     0.0661
    24      10     0.3819     0.8593     0.0686
    25      11     0.3533     0.3352     0.5236
    26      12     0.3294     0.8336     0.5245
    27      13     0.1209     0.2194     0.1816
    28      14     0.1152     0.8278     0.1693
    29      15     0.1112     0.5243     0.6941
    30      16     0.1144     0.0312     0.7365


X-ray density (g/cm cub.)   =      3.12

MU (1/cm) =     392.376    Mass attenuation coefficient (cm**2/g) =    125.727

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

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

    1   Ca   ,Zr             2.88         6
                                                 2.3805       9
                                                 2.3812      10
                                                 2.3232      11
                                                 2.3123      12
                                                 2.3631      16
                                                 2.3654      10
    2    Ca                  2.88         6
                                                 2.5318       9
                                                 2.5279      10
                                                 2.3671      11
                                                 2.3368      12
                                                 2.3619      15
                                                 2.3563       9
    3   Ca   ,Na             2.88         5
                                                 2.187       12
                                                 2.0185      14
                                                 2.045       15
                                                 2.3709      16
                                                 2.6752      15
    4   Na   ,Ca             2.88         8
                                                 2.3661       8
                                                 2.6737      13
                                                 2.5584      14
                                                 2.2106      15
                                                 2.3661       8
                                                 2.6737      13
                                                 2.5584      14
                                                 2.2106      15
    5   Ti   ,Ti             2.568        6
                                                 1.9669      13
                                                 1.9766      14
                                                 2.019       16
                                                 1.9669      13
                                                 1.9766      14
                                                 2.019       16
    6    Si                  2.1          4
                                                 1.6744       8
                                                 1.6073       9
                                                 1.5897      11
                                                 1.6321      13
    7    Si                  2.1          4
                                                 1.6581       8
                                                 1.5989      10
                                                 1.5837      12
                                                 1.6271      14
    8    O                   3.264        8
                                                 2.5894       9
                                                 2.5819      10
                                                 2.6497      11
                                                 2.6188      12
                                                 2.5212      13
                                                 2.5035      14
                                                 2.9815      15
                                                 3.2409      15
    9    O                   3.264        6
                                                 2.5894       8
                                                 3.0705      11
                                                 2.7001      11
                                                 2.7258      13
                                                 3.1828       9
                                                 3.0714      10
   10    O                   3.264        6
                                                 2.5819       8
                                                 3.0678      12
                                                 2.7546      12
                                                 2.705       14
                                                 3.0714       9
                                                 2.9882      10
   11    O                   3.264        5
                                                 2.6497       8
                                                 2.7001       9
                                                 3.0705       9
                                                 2.6876      13
                                                 3.2281      15
   12    O                   3.264        6
                                                 2.6188       8
                                                 2.7546      10
                                                 3.0678      10
                                                 2.6103      14
                                                 3.0742      15
                                                 3.1576      16
   13    O                   3.264        7
                                                 2.5212       8
                                                 2.7258       9
                                                 2.6876      11
                                                 2.8654      14
                                                 2.8893      16
                                                 2.7094      14
                                                 2.7463      16
   14    O                   3.264        8
                                                 2.5035       8
                                                 2.705       10
                                                 2.6103      12
                                                 2.8654      13
                                                 2.8956      16
                                                 2.7094      13
                                                 3.2444      15
                                                 2.7537      16
   15    F                   3.228        3
                                                 2.9815       8
                                                 3.0742      12
                                                 2.7586      15
   16    F                   3.228        6
                                                 3.1576      12
                                                 2.8893      13
                                                 2.8956      14
                                                 2.7463      13
                                                 2.7537      14
                                                 3.1337      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  5.528  11.055   0.054  212.57    2        7.5       15.7
    2   0   1   0  7.136  14.272   0.069  126.64    2        1.0        0.2
    3  -1   1   0  8.14   16.279   0.079   96.82    2       12.8       20.7
    4   0   0   1  9.137  18.274   0.089   76.39    2       25.9       67.0
    5  -1   0   1  9.752  19.504   0.095   66.79    2        7.9        5.5
    6   1   1   0  9.869  19.737   0.096   65.17    2       31.6       85.3
    7   2   0   0 11.108  22.215   0.108   50.99    2       24.6       40.4
    8   0  -1   1 11.424  22.847   0.111   48.09    2        2.0        0.3
    9   1   0   1 11.58   23.16    0.112   46.74    2        6.0        2.2
   10  -1   1   1 11.665  23.329   0.113   46.04    2        2.2        0.3
   11   0   1   1 11.835  23.671   0.115   44.66    2       20.5       24.5
   12  -2   1   0 11.999  23.998   0.116   43.4     2        6.0        2.0
   13  -1  -1   1 12.571  25.142   0.122   39.35    2       25.2       32.7
   14   1  -1   1 12.874  25.749   0.125   37.42    2       44.3       96.0
   15  -2   0   1 13.016  26.032   0.126   36.57    2       72.0      248.1
   16  -2   1   1 13.966  27.932   0.135   31.5     2       41.0       69.1
   17  -1   2   0 14.38   28.76    0.139   29.6     2        8.7        2.9
   18   0   2   0 14.386  28.772   0.139   29.57    2        2.3        0.2
   19   1   1   1 14.396  28.792   0.139   29.53    2        6.3        1.6
   20   2   1   0 14.403  28.807   0.139   29.5     2       51.7      103.3
   21   2   0   1 15.778  31.556   0.152   24.26    2        9.6        3.0
   22  -2  -1   1 15.792  31.585   0.152   24.21    2        4.4        0.6
   23   2  -1   1 16.284  32.567   0.157   22.66    2       28.4       23.8
   24  -2   2   0 16.45   32.9     0.158   22.17    2       35.4       36.2
   25   1   2   0 16.465  32.931   0.158   22.12    2       23.2       15.6
   26   3   0   0 16.797  33.594   0.162   21.19    2      105.6      308.7
   27  -1   2   1 16.84   33.681   0.162   21.07    2       57.2       90.1
   28   0  -2   1 16.859  33.717   0.162   21.02    2       49.7       67.8
   29  -3   1   0 16.945  33.891   0.163   20.79    2        6.8        1.3
   30   0   2   1 17.436  34.871   0.167   19.53    2      152.2      591.4
   31   1  -2   1 17.444  34.887   0.168   19.51    2      153.7      603.0
   32  -3   0   1 17.589  35.178   0.169   19.16    2       53.8       72.4
   33  -3   1   1 17.871  35.743   0.172   18.51    2       46.6       52.5
   34  -2   2   1 18.111  36.222   0.174   17.97    2        7.5        1.3
   35  -1  -2   1 18.138  36.276   0.174   17.92    2        1.7        0.1
   36  -1   0   2 18.295  36.589   0.175   17.58    2       70.7      115.1
   37   2   1   1 18.446  36.892   0.177   17.26    2       33.0       24.6
   38   0   0   2 18.517  37.034   0.178   17.12    2       58.4       76.4
   39  -1   1   2 19.565  39.13    0.187   15.16    2       10.9        2.4
   40   3   1   0 19.637  39.274   0.188   15.04    2        8.6        1.5
   41   0  -1   2 19.684  39.368   0.188   14.96    2        5.7        0.6
   42   2  -2   1 19.748  39.497   0.189   14.85    2       37.4       27.1
   43   1   2   1 19.75   39.5     0.189   14.84    2       46.3       41.6
   44  -2   0   2 19.802  39.604   0.189   14.76    2      108.5      227.2
   45  -1  -1   2 19.894  39.789   0.19    14.61    2        7.1        1.0
   46  -3   2   0 20.025  40.049   0.191   14.4     2       52.8       52.6
   47   2   2   0 20.047  40.093   0.192   14.36    2       42.8       34.3
   48   0   1   2 20.191  40.382   0.193   14.13    2       15.1        4.2
   49  -3  -1   1 20.208  40.416   0.193   14.11    2        4.0        0.3
   50   1   0   2 20.421  40.842   0.195   13.78    2       17.0        5.2
   51  -2   1   2 20.593  41.185   0.197   13.53    2       41.2       30.0
   52   3   0   1 20.803  41.605   0.199   13.22    2      109.2      206.2
   53   3  -1   1 20.805  41.609   0.199   13.22    2        3.8        0.2
   54  -3   2   1 20.955  41.909   0.2     13.01    2       48.5       40.0
   55  -2  -2   1 20.987  41.974   0.2     12.96    2       55.0       51.4
   56   1  -1   2 21.107  42.213   0.201   12.8     2        7.3        0.9
   57  -1   3   0 21.488  42.975   0.205   12.3     2        1.5        0.0
   58  -2  -1   2 21.698  43.396   0.207   12.03    2       12.7        2.5
   59   0   3   0 21.881  43.762   0.208   11.81    2       14.7        3.4
   60   1   1   2 22.356  44.713   0.213   11.25    2       19.7        5.7
   61  -4   1   0 22.402  44.804   0.213   11.2     2       43.3       27.5
   62  -2   3   0 22.627  45.254   0.215   10.95    2       10.4        1.6
   63   4   0   0 22.663  45.326   0.215   10.91    2       92.4      121.7
   64  -4   1   1 22.679  45.358   0.216   10.89    2       13.7        2.7
   65  -3   0   2 22.751  45.502   0.216   10.81    2       24.6        8.6
   66  -4   0   1 22.824  45.648   0.217   10.73    2       27.9       10.9
   67  -3   1   2 23.092  46.185   0.219   10.45    2       16.1        3.5
   68  -1   2   2 23.312  46.624   0.221   10.23    2       66.1       58.4
   69   0  -2   2 23.336  46.672   0.221   10.21    2       66.7       59.5
   70   3   1   1 23.341  46.682   0.221   10.2     2       32.9       14.4
   71   3  -2   1 23.346  46.692   0.222   10.2     2        8.0        0.9
   72   2   2   1 23.355  46.711   0.222   10.19    2       19.1        4.9
   73  -1   3   1 23.409  46.819   0.222   10.14    2       19.4        5.0
   74   0  -3   1 23.566  47.133   0.223    9.98    2        4.4        0.3
   75   1  -3   1 23.651  47.303   0.224    9.9     2       12.9        2.2
   76   2   0   2 23.671  47.341   0.224    9.88    2       43.8       24.8
   77   1   3   0 23.747  47.493   0.225    9.81    2       34.3       15.1
   78  -2   2   2 23.852  47.703   0.226    9.72    2       82.5       86.4
   79  -1  -2   2 23.883  47.766   0.226    9.69    2       79.1       79.2
   80   2  -1   2 23.924  47.848   0.227    9.65    2       31.8       12.8
   81  -2   3   1 24.035  48.07    0.228    9.55    2       22.2        6.2
   82   0   2   2 24.217  48.435   0.229    9.39    2        7.6        0.7
   83   0   3   1 24.225  48.45    0.229    9.38    2        9.1        1.0
   84   1  -2   2 24.233  48.467   0.229    9.37    2        9.8        1.2
   85  -4   2   0 24.569  49.138   0.232    9.08    2        1.6        0.0
   86   3   2   0 24.595  49.19    0.233    9.06    2        7.8        0.7
   87  -3  -1   2 24.815  49.631   0.235    8.88    2       37.4       16.3
   88  -1  -3   1 24.904  49.807   0.235    8.81    2        9.8        1.1
   89  -4   2   1 24.934  49.867   0.236    8.78    2       48.6       27.2
   90  -3  -2   1 24.969  49.938   0.236    8.75    2       41.4       19.7
   91  -3   3   0 25.136  50.271   0.237    8.62    2       28.1        8.9
   92   2  -3   1 25.148  50.295   0.238    8.61    2        7.3        0.6
   93   4   1   0 25.294  50.587   0.239    8.5     2        0.8        0.0
   94  -4  -1   1 25.337  50.675   0.239    8.47    2       29.9        9.9
   95   2   1   2 25.753  51.506   0.243    8.16    2        9.6        1.0
   96  -3   2   2 25.767  51.534   0.243    8.15    2       31.6       10.6
   97  -2  -2   2 25.804  51.608   0.243    8.12    2       39.4       16.5
   98   4  -1   1 26.005  52.011   0.245    7.98    2        4.7        0.2
   99  -3   3   1 26.023  52.046   0.245    7.97    2       38.6       15.6
  100   4   0   1 26.341  52.683   0.248    7.75    2       22.4        5.1
  101   1   3   1 26.381  52.762   0.248    7.72    2       34.2       11.8
  102   1   2   2 26.456  52.911   0.249    7.67    2       48.0       23.1
  103   2  -2   2 26.464  52.927   0.249    7.67    2       49.5       24.6
  104  -4   1   2 26.745  53.49    0.252    7.49    2       11.4        1.3
  105  -4   0   2 26.772  53.545   0.252    7.47    2       34.9       11.9
  106   2   3   0 26.85   53.699   0.252    7.42    2        3.7        0.1
  107  -2  -3   1 27.509  55.019   0.258    7.02    2        4.4        0.2
  108   3  -1   2 27.819  55.638   0.261    6.85    2       21.5        4.1
  109   4  -2   1 27.866  55.732   0.261    6.82    2      112.7      113.2
  110   3   2   1 27.881  55.762   0.261    6.81    2      121.7      131.9
  111   3  -3   1 27.888  55.777   0.261    6.81    2        4.7        0.2
  112  -1   0   3 27.89   55.779   0.261    6.81    2       34.4       10.5
  113   3   0   2 27.916  55.831   0.262    6.79    2       15.2        2.0
  114  -5   1   1 28.09   56.18    0.263    6.7     2        1.3        0.0
  115  -5   1   0 28.254  56.507   0.265    6.61    2       12.0        1.2
  116   0   0   3 28.449  56.898   0.266    6.51    2       47.9       19.5
  117  -5   0   1 28.534  57.068   0.267    6.46    2      141.5      169.3
  118  -2   0   3 28.606  57.213   0.268    6.43    2        0.1        0.0
  119   0  -3   2 28.742  57.485   0.269    6.36    2        8.6        0.6
  120  -4   3   0 28.752  57.504   0.269    6.35    2       40.5       13.6
  121  -1   3   2 28.79   57.581   0.269    6.33    2        9.1        0.7
  122   5   0   0 28.792  57.584   0.269    6.33    2       18.5        2.8
  123   4   1   1 28.821  57.642   0.269    6.32    2       16.9        2.4
  124  -4   2   2 28.862  57.723   0.27     6.3     2       47.0       18.2
  125  -3  -2   2 28.902  57.805   0.27     6.28    2       37.0       11.2
  126  -1   1   3 28.918  57.837   0.27     6.27    2       27.7        6.3
  127  -4  -1   2 28.94   57.88    0.27     6.26    2       41.5       14.1
  128  -2   3   2 28.942  57.884   0.271    6.26    2       23.5        4.5
  129  -1  -1   3 28.974  57.947   0.271    6.24    2        3.0        0.1
  130  -1   4   0 29.168  58.337   0.272    6.15    2      191.3      294.3
  131  -4   3   1 29.176  58.351   0.273    6.15    2       22.2        4.0
  132   0  -1   3 29.207  58.414   0.273    6.13    2        3.0        0.1
  133   1  -3   2 29.208  58.417   0.273    6.13    2       15.3        1.9
  134  -2   1   3 29.307  58.614   0.274    6.08    2       17.2        2.4
  135  -1  -3   2 29.528  59.057   0.276    5.98    2        6.5        0.3
  136   2   3   1 29.672  59.345   0.277    5.92    2       45.4       16.0
  137  -5   2   1 29.741  59.483   0.277    5.89    2       22.5        3.9
  138   0   1   3 29.776  59.552   0.278    5.87    2       14.9        1.7
  139  -4  -2   1 29.779  59.559   0.278    5.87    2       25.5        5.0
  140  -2   4   0 29.782  59.565   0.278    5.87    2       12.7        1.2
  141   0   4   0 29.795  59.591   0.278    5.86    2        4.7        0.2
  142  -5   2   0 29.805  59.61    0.278    5.86    2       31.7        7.7
  143   2   2   2 29.817  59.635   0.278    5.85    2       59.2       26.8
  144   3  -2   2 29.818  59.636   0.278    5.85    2       52.2       20.9
  145   4   2   0 29.835  59.669   0.278    5.85    2       28.6        6.3
  146   0   3   2 29.885  59.77    0.279    5.82    2       19.3        2.8
  147  -2  -1   3 29.983  59.966   0.279    5.78    2       29.9        6.8
  148   3   1   2 30.096  60.191   0.28     5.73    2       30.0        6.7
  149   1   0   3 30.239  60.478   0.282    5.67    2       19.9        2.9
  150  -3   3   2 30.328  60.657   0.282    5.63    2        8.1        0.5
  151  -3   0   3 30.541  61.083   0.284    5.55    2       82.3       49.2
  152   1  -1   3 30.666  61.332   0.285    5.5     2       11.2        0.9
  153  -1   4   1 30.828  61.657   0.286    5.43    2       13.2        1.2
  154   1  -4   1 30.845  61.69    0.287    5.43    2        9.0        0.6
  155   2  -3   2 30.891  61.781   0.287    5.41    2       60.8       26.1
  156  -3   1   3 30.913  61.826   0.287    5.4     2       16.6        2.0
  157   3   3   0 30.942  61.885   0.287    5.39    2        7.7        0.4
  158  -5  -1   1 31.016  62.032   0.288    5.36    2       11.3        0.9
  159  -2   4   1 31.048  62.096   0.288    5.35    2       12.8        1.1
  160   0  -4   1 31.077  62.155   0.289    5.34    2       22.8        3.6
  161  -3  -3   1 31.173  62.345   0.289    5.3     2       28.2        5.5
  162  -5   1   2 31.291  62.582   0.29     5.26    2        4.7        0.2
  163   5   1   0 31.353  62.706   0.291    5.23    2       15.4        1.6
  164  -2  -3   2 31.508  63.016   0.292    5.18    2       40.4       11.1
  165  -3   4   0 31.593  63.186   0.293    5.15    2       15.6        1.6
  166  -5   0   2 31.616  63.232   0.293    5.14    2       32.9        7.3
  167   1   4   0 31.619  63.237   0.293    5.14    2        1.8        0.0
  168   4  -3   1 31.664  63.327   0.293    5.12    2       10.3        0.7
  169   5  -1   1 31.749  63.499   0.294    5.09    2       11.2        0.8
  170   0   4   1 31.808  63.616   0.295    5.07    2        9.0        0.5
  171   2  -4   1 31.812  63.623   0.295    5.07    2       17.1        1.9
  172   1   1   3 31.819  63.637   0.295    5.07    2       35.4        8.3
  173  -1   2   3 31.93   63.861   0.296    5.03    2      112.4       83.2
  174   0  -2   3 31.958  63.916   0.296    5.02    2      111.4       81.4
  175  -2   2   3 32.001  64.001   0.296    5.01    2       79.9       41.8
  176  -1  -2   3 32.034  64.069   0.297    4.99    2       89.0       51.7
  177   1   3   2 32.148  64.296   0.297    4.96    2       21.6        3.0
  178  -3  -1   3 32.164  64.329   0.298    4.95    2        5.2        0.2
  179   5   0   1 32.342  64.684   0.299    4.89    2        7.4        0.3
  180  -3   4   1 32.452  64.905   0.3      4.86    2       47.3       14.2
  181  -1  -4   1 32.494  64.987   0.3      4.84    2       37.4        8.9
  182   4  -1   2 32.563  65.125   0.301    4.82    2        5.2        0.2
  183  -4   3   2 32.856  65.712   0.303    4.73    2       14.3        1.3
  184  -5   2   2 32.933  65.867   0.304    4.7     2      118.2       85.9
  185   4   0   2 32.944  65.888   0.304    4.7     2       27.9        4.8
  186  -4  -2   2 32.977  65.955   0.304    4.69    2      116.2       82.9
  187   0   2   3 33.034  66.068   0.305    4.67    2        1.2        0.0
  188   1  -2   3 33.055  66.11    0.305    4.67    2        8.9        0.5
  189   5  -2   1 33.114  66.228   0.305    4.65    2       27.1        4.5
  190   4   2   1 33.134  66.267   0.306    4.64    2       22.8        3.1
  191   2   0   3 33.14   66.28    0.306    4.64    2       60.9       22.5
  192  -3   2   3 33.241  66.482   0.306    4.61    2       33.2        6.7
  193   2  -1   3 33.256  66.511   0.307    4.61    2       13.6        1.1
  194  -5   3   0 33.267  66.534   0.307    4.6     2       25.0        3.8
  195  -2  -2   3 33.28   66.561   0.307    4.6     2       22.5        3.0
  196  -5   3   1 33.296  66.592   0.307    4.6     2       17.5        1.8
  197  -4   0   3 33.571  67.141   0.309    4.52    2       49.8       14.7
  198  -4   1   3 33.635  67.27    0.31     4.5     2       34.5        7.0
  199   3  -3   2 33.684  67.367   0.31     4.49    2       28.1        4.6
  200  -5  -1   2 33.878  67.756   0.312    4.43    2        8.3        0.4
  201   3   3   1 33.911  67.822   0.312    4.42    2       24.3        3.4
  202   3  -4   1 33.92   67.84    0.312    4.42    2        9.7        0.5
  203   1   4   1 33.929  67.857   0.312    4.42    2       11.3        0.7
  204  -6   1   1 34.038  68.075   0.313    4.39    2       22.4        2.9
  205   4  -2   2 34.11   68.221   0.313    4.37    2      115.1       75.7
  206   3   2   2 34.116  68.232   0.314    4.37    2      107.5       66.1
  207  -4   4   0 34.496  68.992   0.317    4.27    2       75.0       31.4
  208   2   4   0 34.532  69.065   0.317    4.26    2       86.5       41.6
  209  -6   1   0 34.541  69.082   0.317    4.26    2       26.7        4.0
  210  -3  -3   2 34.567  69.134   0.317    4.25    2       32.3        5.8
  211  -6   0   1 34.722  69.444   0.318    4.21    2       41.8        9.6
  212   5   1   1 34.84   69.68    0.319    4.18    2       11.7        0.7
  213   2   1   3 34.932  69.865   0.32     4.16    2       11.8        0.8
  214  -4   4   1 34.966  69.932   0.32     4.15    2       31.5        5.4
  215  -2  -4   1 35.018  70.035   0.321    4.14    2       44.8       10.9
  216   4   1   2 35.224  70.448   0.322    4.09    2       37.1        7.4
  217  -6   2   1 35.246  70.493   0.323    4.09    2       42.3        9.5
  218   1   2   3 35.256  70.512   0.323    4.08    2       47.5       12.1
  219   2  -2   3 35.27   70.54    0.323    4.08    2       40.1        8.6
  220  -5  -2   1 35.287  70.574   0.323    4.08    2       39.7        8.4
  221   6   0   0 35.307  70.614   0.323    4.07    2        4.9        0.1
  222  -4  -1   3 35.402  70.805   0.324    4.05    2        8.8        0.4
  223  -2   4   2 35.409  70.818   0.324    4.05    2       49.1       12.8
  224   0  -4   2 35.452  70.904   0.324    4.04    2       51.0       13.7
  225   2   3   2 35.461  70.922   0.324    4.04    2       14.1        1.0
  226  -1   4   2 35.556  71.112   0.325    4.02    2       30.2        4.8
  227   1  -4   2 35.587  71.174   0.325    4.01    2       32.6        5.6
  228  -4   2   3 35.59   71.18    0.325    4.01    2       45.7       10.9
  229  -3  -2   3 35.634  71.268   0.326    4.0     2       52.7       14.5
  230  -6   2   0 35.656  71.313   0.326    3.99    2       84.1       36.9
  231   5   2   0 35.689  71.378   0.326    3.99    2       86.6       39.1
  232  -4  -3   1 35.733  71.467   0.326    3.98    2       40.1        8.4
  233   4   3   0 35.869  71.738   0.328    3.95    2       12.0        0.7
  234   5  -3   1 36.323  72.647   0.331    3.85    2       20.9        2.2
  235  -3   4   2 36.382  72.765   0.332    3.84    2       60.2       18.2
  236  -5   3   2 36.406  72.812   0.332    3.84    2       18.4        1.7
  237  -1  -4   2 36.437  72.873   0.332    3.83    2       72.9       26.6
  238  -2   3   3 36.446  72.892   0.332    3.83    2       13.8        1.0
  239   0  -3   3 36.455  72.91    0.332    3.83    2        7.9        0.3
  240  -6   1   2 36.604  73.209   0.333    3.8     2        5.9        0.2
  241  -1   3   3 36.659  73.318   0.334    3.79    2        1.2        0.0
  242  -1  -3   3 36.806  73.611   0.335    3.76    2       22.1        2.4
  243   0   4   2 36.818  73.635   0.335    3.75    2       34.9        6.0
  244   2  -4   2 36.836  73.673   0.335    3.75    2       32.6        5.2
  245   3  -1   3 36.861  73.722   0.335    3.75    2       22.7        2.5
  246   3   0   3 37.029  74.058   0.337    3.71    2       74.8       27.2
  247   4  -4   1 37.079  74.157   0.337    3.71    2       98.8       47.3
  248   2   4   1 37.099  74.197   0.337    3.7     2       80.5       31.4
  249  -6   0   2 37.184  74.368   0.338    3.69    2        7.2        0.2
  250   1  -3   3 37.213  74.425   0.338    3.68    2        7.5        0.3
  251  -6  -1   1 37.253  74.507   0.338    3.67    2       19.2        1.8
  252  -3   3   3 37.341  74.681   0.339    3.66    2        8.1        0.3
  253  -5   1   3 37.361  74.721   0.339    3.65    2       24.6        2.9
  254   4  -3   2 37.474  74.948   0.34     3.63    2        8.1        0.3
  255  -1   5   0 37.57   75.139   0.341    3.62    2        9.1        0.4
  256  -5   0   3 37.576  75.152   0.341    3.62    2       30.0        4.3
  257  -2   5   0 37.837  75.674   0.343    3.57    2       11.5        0.6
  258  -6   2   2 37.862  75.724   0.343    3.57    2       40.5        7.6
  259   6   1   0 37.906  75.813   0.343    3.56    2        5.2        0.1
  260  -5  -2   2 37.909  75.819   0.343    3.56    2       40.0        7.5
  261   0   3   3 37.974  75.947   0.344    3.55    2       22.1        2.3
  262   6  -1   1 38.062  76.125   0.345    3.53    2        0.7        0.0
  263   5  -1   2 38.064  76.129   0.345    3.53    2        9.9        0.5
  264  -2  -3   3 38.254  76.508   0.346    3.5     2       27.2        3.4
  265  -6   3   1 38.271  76.542   0.346    3.5     2       11.3        0.6
  266  -5   4   0 38.387  76.774   0.347    3.48    2       59.2       16.0
  267   0   5   0 38.399  76.798   0.347    3.48    2       20.9        2.0
  268   3   4   0 38.434  76.867   0.347    3.47    2       51.5       12.1
  269  -4   4   2 38.442  76.884   0.348    3.47    2        8.0        0.3
  270  -5   4   1 38.497  76.995   0.348    3.46    2       30.4        4.2
  271  -2  -4   2 38.507  77.014   0.348    3.46    2       10.2        0.5
  272   2   2   3 38.514  77.028   0.348    3.46    2       36.3        6.0
  273   3  -2   3 38.522  77.044   0.348    3.46    2       29.7        4.0
  274  -3  -4   1 38.559  77.118   0.348    3.46    2       14.3        0.9
  275  -6   3   0 38.585  77.17    0.349    3.45    2        8.7        0.3
  276  -4  -3   2 38.602  77.203   0.349    3.45    2        3.1        0.0
  277  -1   0   4 38.617  77.234   0.349    3.45    2       24.0        2.6
  278   5   0   2 38.696  77.391   0.349    3.43    2       28.9        3.8
  279   6   0   1 38.884  77.768   0.351    3.41    2       82.0       29.9
  280  -2   0   4 38.888  77.777   0.351    3.41    2       88.9       35.2
  281  -5   2   3 38.967  77.933   0.352    3.39    2       13.2        0.8
  282   1  -5   1 38.979  77.958   0.352    3.39    2        9.3        0.4
  283   4   3   1 38.997  77.995   0.352    3.39    2        6.7        0.2
  284  -4  -2   3 39.015  78.03    0.352    3.39    2        9.3        0.4
  285   3   1   3 39.018  78.036   0.352    3.39    2        4.9        0.1
  286  -2   5   1 39.055  78.11    0.352    3.38    2        1.9        0.0
  287   6  -2   1 39.055  78.111   0.352    3.38    2        6.1        0.2
  288   2  -3   3 39.056  78.113   0.352    3.38    2        7.8        0.3
  289   5   2   1 39.08   78.159   0.352    3.38    2        5.4        0.1
  290  -1   5   1 39.13   78.26    0.353    3.37    2       32.1        4.5
  291   1   4   2 39.153  78.307   0.353    3.37    2       41.6        7.6
  292   3  -4   2 39.16   78.321   0.353    3.37    2       32.3        4.6
  293  -3   5   0 39.194  78.387   0.353    3.36    2       12.1        0.6
  294   5  -2   2 39.247  78.495   0.354    3.35    2       50.1       11.0
  295   4   2   2 39.258  78.516   0.354    3.35    2       49.3       10.7
  296  -4   3   3 39.317  78.634   0.354    3.34    2        3.3        0.0
  297   0   0   4 39.433  78.866   0.355    3.33    2      121.4       64.2
  298   0  -5   1 39.461  78.922   0.355    3.33    2       23.4        2.4
  299  -1  -1   4 39.462  78.923   0.355    3.32    2       21.0        1.9
  300  -6  -1   2 39.573  79.147   0.356    3.31    2       14.9        1.0
  301  -2   1   4 39.577  79.154   0.356    3.31    2        3.7        0.1
  302  -1   1   4 39.579  79.159   0.356    3.31    2        7.1        0.2
  303   2  -5   1 39.582  79.165   0.356    3.31    2       44.2        8.5
  304  -5  -1   3 39.604  79.207   0.356    3.31    2        9.4        0.4
  305   3   3   2 39.731  79.463   0.357    3.29    2       19.0        1.5
  306   0  -1   4 40.002  80.003   0.359    3.25    2        5.6        0.1
  307  -2  -1   4 40.003  80.006   0.359    3.25    2       25.5        2.8
  308  -3   5   1 40.063  80.125   0.36     3.25    2       34.9        5.2
  309  -3   0   4 40.241  80.483   0.361    3.22    2       83.0       29.1
  310   0   5   1 40.287  80.574   0.361    3.22    2       22.0        2.0
  311   1   5   0 40.304  80.608   0.362    3.22    2       45.1        8.6
  312   1   3   3 40.354  80.709   0.362    3.21    2        9.2        0.4
  313  -7   1   1 40.598  81.195   0.364    3.18    2        7.4        0.2
  314  -3   1   4 40.654  81.308   0.364    3.18    2       10.2        0.4
  315   0   1   4 40.66   81.321   0.364    3.18    2        0.9        0.0
  316  -3  -3   3 40.763  81.527   0.365    3.16    2       14.2        0.8
  317  -6   3   2 40.902  81.804   0.366    3.15    2        5.8        0.1
  318  -1  -5   1 41.018  82.036   0.367    3.14    2       27.0        3.0
  319   5   1   2 41.118  82.235   0.368    3.13    2        7.7        0.2
  320  -5  -3   1 41.136  82.273   0.368    3.12    2        9.8        0.4
  321   5  -4   1 41.216  82.433   0.368    3.12    2       29.6        3.6
  322   3   4   1 41.247  82.495   0.369    3.11    2       24.5        2.4
  323   3  -5   1 41.258  82.517   0.369    3.11    2        9.6        0.4
  324   1   0   4 41.319  82.638   0.369    3.1     2       12.9        0.7
  325  -7   1   0 41.407  82.813   0.37     3.1     2       14.3        0.8
  326   4  -1   3 41.412  82.825   0.37     3.09    2       29.4        3.5
  327  -7   2   1 41.469  82.938   0.37     3.09    2       35.2        5.0
  328   6   1   1 41.491  82.981   0.37     3.09    2       11.5        0.5
  329  -7   0   1 41.511  83.023   0.37     3.09    2       28.7        3.3
  330  -6  -2   1 41.514  83.027   0.371    3.08    2       31.9        4.1
  331  -5   4   2 41.542  83.084   0.371    3.08    2       21.8        1.9
  332   5   3   0 41.601  83.203   0.371    3.08    2        7.6        0.2
  333  -4   5   0 41.611  83.222   0.371    3.08    2        6.5        0.2
  334   1  -1   4 41.613  83.226   0.371    3.07    2       14.5        0.9
  335  -3  -1   4 41.616  83.232   0.371    3.07    2        6.1        0.2
  336  -3  -4   2 41.617  83.234   0.371    3.07    2       30.6        3.8
  337   6  -3   1 41.828  83.656   0.373    3.05    2        6.8        0.2
  338   4   0   3 41.844  83.688   0.373    3.05    2       74.4       22.1
  339   3  -3   3 41.947  83.894   0.374    3.04    2       35.3        5.0
  340  -6   1   3 42.029  84.058   0.374    3.04    2        2.1        0.0
  341  -2   2   4 42.048  84.095   0.374    3.03    2        9.1        0.3
  342  -1  -2   4 42.086  84.171   0.375    3.03    2        1.0        0.0
  343  -4   5   1 42.135  84.27    0.375    3.03    2       50.3       10.0
  344  -7   2   0 42.193  84.387   0.375    3.02    2       16.4        1.1
  345   5  -3   2 42.204  84.407   0.376    3.02    2        8.3        0.3
  346   6   2   0 42.23   84.461   0.376    3.02    2        7.5        0.2
  347  -1   2   4 42.318  84.636   0.376    3.01    2       15.7        1.0
  348  -5   3   3 42.336  84.672   0.376    3.01    2       18.6        1.4
  349   0  -2   4 42.351  84.701   0.377    3.01    2       10.5        0.4
  350   7   0   0 42.399  84.798   0.377    3.0     2        6.7        0.2
  351  -2   4   3 42.468  84.936   0.377    3.0     2       45.5        8.1
  352   1   5   1 42.505  85.011   0.378    2.99    2       34.9        4.8
  353  -6   0   3 42.506  85.013   0.378    2.99    2       82.0       26.3
  354   4  -4   2 42.515  85.03    0.378    2.99    2       15.3        0.9
  355   2   4   2 42.52   85.039   0.378    2.99    2        0.2        0.0
  356   0  -4   3 42.523  85.047   0.378    2.99    2       39.7        6.2
  357  -4   0   4 42.652  85.304   0.379    2.98    2        4.5        0.1
  358  -7   1   2 42.701  85.401   0.379    2.98    2       18.8        1.4
  359   3   2   3 42.757  85.514   0.379    2.97    2       34.7        4.7
  360   4  -2   3 42.759  85.519   0.38     2.97    2       40.4        6.3
  361  -4   1   4 42.793  85.586   0.38     2.97    2       24.0        2.2
  362   1   1   4 42.804  85.607   0.38     2.97    2       11.8        0.5
  363  -3   2   4 42.845  85.689   0.38     2.97    2       42.9        7.1
  364  -2  -2   4 42.888  85.777   0.38     2.96    2       36.7        5.2
  365  -1   4   3 42.941  85.882   0.381    2.96    2       28.2        3.1
  366   1  -4   3 42.985  85.97    0.381    2.96    2       21.1        1.7
  367  -6   4   1 42.998  85.996   0.381    2.95    2      114.6       50.7
  368  -3   4   3 43.062  86.123   0.382    2.95    2        7.5        0.2
  369  -4  -4   1 43.07   86.139   0.382    2.95    2      113.9       50.0
  370  -1  -4   3 43.128  86.257   0.382    2.94    2        6.8        0.2
  371  -2   5   2 43.172  86.344   0.382    2.94    2        5.2        0.1
  372  -6   4   0 43.224  86.447   0.383    2.94    2        0.4        0.0
  373   2   5   0 43.255  86.51    0.383    2.93    2        9.2        0.3
  374   4   4   0 43.28   86.56    0.383    2.93    2        2.7        0.0
  375   1  -5   2 43.283  86.565   0.383    2.93    2       15.1        0.9
  376  -6   2   3 43.326  86.653   0.384    2.93    2       51.7       10.3
  377  -5  -2   3 43.38   86.759   0.384    2.93    2       52.7       10.6
  378   0  -5   2 43.422  86.845   0.384    2.92    2       10.5        0.4
  379  -7   0   2 43.526  87.053   0.385    2.92    2       13.9        0.7
  380  -5  -3   2 43.576  87.151   0.385    2.91    2       15.1        0.9
  381  -1   5   2 43.579  87.158   0.385    2.91    2       14.4        0.8
  382  -2  -5   1 43.629  87.258   0.386    2.91    2       13.3        0.7
  383  -7   2   2 43.647  87.294   0.386    2.91    2       70.8       19.1
  384   0   2   4 43.654  87.309   0.386    2.91    2        2.4        0.0
  385   1  -2   4 43.681  87.362   0.386    2.91    2        5.4        0.1
  386  -6  -2   2 43.699  87.397   0.386    2.9     2       72.2       19.8
  387   2   3   3 43.768  87.536   0.387    2.9     2        7.0        0.2
  388  -3   5   2 43.83   87.66    0.387    2.9     2       44.9        7.6
  389   4  -5   1 43.987  87.973   0.388    2.89    2       18.7        1.3
  390   4   1   3 44.047  88.094   0.389    2.88    2        3.2        0.0
  391  -7   3   1 44.11   88.219   0.389    2.88    2       17.1        1.1
  392  -7  -1   1 44.193  88.387   0.39     2.87    2       20.1        1.5
  393   2  -5   2 44.207  88.414   0.39     2.87    2       16.5        1.0
  394   2   0   4 44.254  88.508   0.39     2.87    2       55.9       11.7
  395   2  -1   4 44.278  88.557   0.39     2.87    2        6.1        0.1
  396  -4  -1   4 44.283  88.566   0.39     2.87    2        3.0        0.0
  397  -4  -3   3 44.305  88.609   0.39     2.87    2        3.0        0.0
  398   6  -1   2 44.378  88.755   0.391    2.86    2       14.0        0.7
  399   0   4   3 44.477  88.954   0.392    2.86    2       11.8        0.5
  400   2  -4   3 44.51   89.02    0.392    2.85    2       25.1        2.4
  401  -1  -5   2 44.626  89.252   0.393    2.85    2        1.7        0.0
  402  -4   2   4 44.704  89.408   0.393    2.84    2        2.1        0.0
  403  -4   4   3 44.718  89.436   0.393    2.84    2       60.1       13.4
  404  -7   3   0 44.748  89.497   0.394    2.84    2        8.7        0.3
  405  -3  -2   4 44.753  89.506   0.394    2.84    2        7.1        0.2
  406  -6  -1   3 44.753  89.507   0.394    2.84    2        8.0        0.2
  407  -2  -4   3 44.796  89.593   0.394    2.84    2       47.4        8.3
  408   4   3   2 44.949  89.898   0.395    2.83    2        3.9        0.1
  409   5   3   1 44.96   89.92    0.395    2.83    2        8.9        0.3


  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   5.528  11.055  9.28568       15.7      1.3      1.3     5.6
    2  -1   1   0   8.14   16.279  6.31738       20.7      1.7      1.8     5.6
    3   0   0   1   9.137  18.274  5.63286       67.0      5.6      5.7     5.6
    4   1   1   0   9.869  19.737  5.2188        85.3      7.1      7.2     5.6
    5   2   0   0  11.108  22.215  4.64284       40.4      3.4      3.4     5.6
    6   0   1   1  11.835  23.671  4.36109       24.5      2.1      2.1     5.6
    7  -1  -1   1  12.571  25.142  4.10971       32.7      2.7      2.8     5.6
    8   1  -1   1  12.874  25.749  4.01438       96.0      8.0      8.1     5.6
    9  -2   0   1  13.016  26.032  3.97142      248.1     20.8     20.9     5.6
   10  -2   1   1  13.966  27.932  3.70611       69.1      5.8      5.8     5.6
   11   2   1   0  14.403  28.807  3.59584      108.0      9.0      9.1     5.6
   12   2  -1   1  16.284  32.567  3.19001       23.8      2.0      2.0     5.6
   13  -2   2   0  16.45   32.9    3.15869       51.9      4.3      4.4     5.6
   14   3   0   0  16.797  33.594  3.09523      308.7     25.8     25.9     5.7
   15  -1   2   1  16.84   33.681  3.08748      157.9     13.2     13.2     5.7
   16   1  -2   1  17.444  34.887  2.98385     1194.3    100.0    100.0     5.7
   17  -3   0   1  17.589  35.178  2.95994       72.4      6.1      6.1     5.7
   18  -3   1   1  17.871  35.743  2.91468       52.5      4.4      4.4     5.7
   19  -1   0   2  18.295  36.589  2.84948      115.1      9.6      9.6     5.7
   20   2   1   1  18.446  36.892  2.82692       24.6      2.1      2.1     5.7
   21   0   0   2  18.517  37.034  2.81643       76.4      6.4      6.4     5.7
   22   1   2   1  19.75   39.5    2.64695       68.7      5.8      5.7     5.7
   23  -2   0   2  19.802  39.604  2.64029      227.2     19.0     18.9     5.7
   24  -3   2   0  20.025  40.049  2.61215       86.9      7.3      7.2     5.7
   25  -2   1   2  20.593  41.185  2.54309       30.0      2.5      2.5     5.7
   26   3   0   1  20.803  41.605  2.51854      206.4     17.3     17.2     5.7
   27  -3   2   1  20.955  41.909  2.50108       40.0      3.4      3.3     5.7
   28  -2  -2   1  20.987  41.974  2.49742       51.4      4.3      4.3     5.7
   29  -4   1   0  22.402  44.804  2.34705       27.5      2.3      2.3     5.7
   30   4   0   0  22.663  45.326  2.32142      124.4     10.4     10.3     5.7
   31   0  -2   2  23.336  46.672  2.25802      138.0     11.6     11.4     5.7
   32   2   0   2  23.671  47.341  2.22791       27.0      2.3      2.2     5.7
   33   1   3   0  23.747  47.493  2.2212        15.1      1.3      1.2     5.7
   34  -2   2   2  23.852  47.703  2.21199       86.4      7.2      7.1     5.7
   35  -1  -2   2  23.883  47.766  2.20926       79.2      6.6      6.5     5.7
   36   2  -1   2  23.924  47.848  2.20567       12.8      1.1      1.1     5.7
   37  -3  -1   2  24.815  49.631  2.13121       16.3      1.4      1.3     5.7
   38  -4   2   1  24.934  49.867  2.12174       27.2      2.3      2.2     5.7
   39  -3  -2   1  24.969  49.938  2.11892       19.7      1.6      1.6     5.7
   40  -2  -2   2  25.804  51.608  2.05486       16.5      1.4      1.4     5.8
   41  -3   3   1  26.023  52.046  2.03874       15.6      1.3      1.3     5.8
   42   2  -2   2  26.464  52.927  2.00719       47.7      4.0      3.9     5.8
   43  -4   0   2  26.772  53.545  1.98571       13.2      1.1      1.1     5.8
   44   3   2   1  27.881  55.762  1.91273      255.9     21.4     20.9     5.8
   45   0   0   3  28.449  56.898  1.87762       19.5      1.6      1.6     5.8
   46  -5   0   1  28.534  57.068  1.87252      169.3     14.2     13.8     5.8
   47  -4   3   0  28.752  57.504  1.8595        13.6      1.1      1.1     5.8
   48  -4   2   2  28.862  57.723  1.85306       18.2      1.5      1.5     5.8
   49  -3  -2   2  28.902  57.805  1.85067       17.5      1.5      1.4     5.8
   50  -4  -1   2  28.94   57.88   1.84845       18.7      1.6      1.5     5.8
   51  -1   4   0  29.168  58.337  1.83525      298.2     25.0     24.3     5.8
   52   2   3   1  29.672  59.345  1.80684       16.0      1.3      1.3     5.8
   53   2   2   2  29.817  59.635  1.79886       69.8      5.8      5.7     5.8
   54  -3   0   3  30.541  61.083  1.7602        49.2      4.1      4.0     5.8
   55   2  -3   2  30.891  61.781  1.74223       28.1      2.4      2.3     5.8
   56  -1   2   3  31.93   63.861  1.69121      164.6     13.8     13.3     5.9
   57  -2   2   3  32.001  64.001  1.68789       41.8      3.5      3.4     5.9
   58  -1  -2   3  32.034  64.069  1.68629       51.7      4.3      4.2     5.9
   59  -3   4   1  32.452  64.905  1.66691       14.2      1.2      1.1     5.9
   60  -5   2   2  32.933  65.867  1.64524       90.7      7.6      7.3     5.9
   61  -4  -2   2  32.977  65.955  1.6433        82.9      6.9      6.7     5.9
   62   2   0   3  33.14   66.28   1.63615       30.1      2.5      2.4     5.9
   63  -4   0   3  33.571  67.141  1.61757       14.7      1.2      1.2     5.9
   64   4  -2   2  34.11   68.221  1.59501      141.7     11.9     11.4     5.9
   65  -4   4   0  34.496  68.992  1.57934       31.4      2.6      2.5     5.9
   66   2   4   0  34.532  69.065  1.57789       45.6      3.8      3.7     5.9
   67   1   2   3  35.256  70.512  1.54958       37.6      3.1      3.0     5.9
   68  -2   4   2  35.409  70.818  1.54374       12.8      1.1      1.0     5.9
   69   0  -4   2  35.452  70.904  1.54211       14.8      1.2      1.2     5.9
   70  -4   2   3  35.59   71.18   1.53693       16.5      1.4      1.3     5.9
   71  -6   2   0  35.656  71.313  1.53444       51.4      4.3      4.1     5.9
   72   5   2   0  35.689  71.378  1.53322       39.1      3.3      3.1     5.9
   73  -3   4   2  36.382  72.765  1.50793       19.9      1.7      1.6     6.0
   74  -1  -4   2  36.437  72.873  1.50599       27.8      2.3      2.2     6.0
   75   0   4   2  36.818  73.635  1.49258       16.1      1.3      1.3     6.0
   76   3   0   3  37.029  74.058  1.48527       27.2      2.3      2.2     6.0
   77   4  -4   1  37.079  74.157  1.48357       78.7      6.6      6.2     6.0
   78  -5   4   0  38.387  76.774  1.44042       18.0      1.5      1.4     6.0
   79   3   4   0  38.434  76.867  1.43895       12.3      1.0      1.0     6.0
   80   2   2   3  38.514  77.028  1.43641       14.6      1.2      1.2     6.0
   81  -2   0   4  38.888  77.777  1.42474       65.1      5.5      5.1     6.0
   82   3  -4   2  39.16   78.321  1.41642       16.7      1.4      1.3     6.0
   83   5  -2   2  39.247  78.495  1.41379       21.7      1.8      1.7     6.0
   84   0   0   4  39.433  78.866  1.40822       68.5      5.7      5.4     6.0
   85  -3   0   4  40.241  80.483  1.3846        29.1      2.4      2.3     6.0
   86   4   0   3  41.844  83.688  1.34081       22.1      1.8      1.7     6.1
   87   0  -4   3  42.523  85.047  1.32338       38.2      3.2      3.0     6.1
   88  -6   4   1  42.998  85.996  1.31157       52.4      4.4      4.1     6.1
   89  -4  -4   1  43.07   86.139  1.30982       50.0      4.2      3.9     6.1
   90  -7   2   2  43.647  87.294  1.29591       19.1      1.6      1.5     6.2
   91  -6  -2   2  43.699  87.397  1.29469       19.8      1.7      1.5     6.2
   92  -4   4   3  44.718  89.436  1.27122       13.7      1.1      1.1     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)