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       ***
                  ***********************
GOETZENITE

2, f-lamprophyllite, g-gotzenite

Ca(2)(Ca,Na)(2)Ca(2)NaTi[Si(2)O(7)](2)F(2)F(2)


Triclinic  P 1(-)  Z = 1

R =0.04          NR =3005

31 .1 .1905

Ref.Str.:

         C.C. Christiansen, O. Johnsen, E. Makovisky (2003)

         * Canad. Mineral., 41, 1203-1224

Reserv:

         There are U(iso) in the article. The mineral from the

         localites of Werner Bjerger, East Greenland. D.T.N.

                   Initial data from BDM-file 

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

             a =   9.6162   alpha =   89.92
             b =   5.7249   beta  =  101.13
             c =   7.3307   gamma =  100.64

    Unit cell volume (cub. angs.) =   388.92

    Molar volume ( cub.cm/mol.) =   234.26

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

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

   1 0.6309  0.2264  0.9095   0.0    Ca    = 0.8 , La    = 0.12, Zr    = 0.08
   2 0.9934  0.4966  0.2416   0.0    Ca    = 0.61, Na    = 0.39
   3 0.6329  0.2274  0.4074   0.0    Ca    = 0.94, La    = 0.06
   4 0.0     0.0     0.5      0.0    Na    = 0.81, Ca    = 0.19
   5 0.0     0.0     0.0      0.0    Ti    = 0.92, Fe    = 0.05, Nb    = 0.03
   6 0.7169  0.7504  0.6519   0.0    Si    = 1.00
   7 0.7243  0.7551  0.2148   0.0    Si    = 1.00
   8 0.7583  0.786   0.444    0.0    O     = 1.00
   9 0.6152  0.9402  0.6688   0.0    O     = 1.00
  10 0.6188  0.9363  0.1415   0.0    O     = 1.00
  11 0.6436  0.4773  0.667    0.0    O     = 1.00
  12 0.666   0.479   0.1607   0.0    O     = 1.00
  13 0.8757  0.8129  0.7855   0.0    O     = 1.00
  14 0.8856  0.8355  0.1717   0.0    O     = 1.00
  15 0.8852  0.2592  0.9675   0.0    F     = 1.00
  16 0.8856  0.3062  0.4759   0.0    F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6309     0.2264     0.9095
     2       2     0.9934     0.4966     0.2416
     3       3     0.6329     0.2274     0.4074
     4       4     0.0        0.0        0.5   
     5       5     0.0        0.0        0.0   
     6       6     0.7169     0.7504     0.6519
     7       7     0.7243     0.7551     0.2148
     8       8     0.7583     0.786      0.444 
     9       9     0.6152     0.9402     0.6688
    10      10     0.6188     0.9363     0.1415
    11      11     0.6436     0.4773     0.667 
    12      12     0.666      0.479      0.1607
    13      13     0.8757     0.8129     0.7855
    14      14     0.8856     0.8355     0.1717
    15      15     0.8852     0.2592     0.9675
    16      16     0.8856     0.3062     0.4759
    17       1     0.3691     0.7736     0.0905
    18       2     0.0066     0.5034     0.7584
    19       3     0.3671     0.7726     0.5926
    20       6     0.2831     0.2496     0.3481
    21       7     0.2757     0.2449     0.7852
    22       8     0.2417     0.214      0.556 
    23       9     0.3848     0.0598     0.3312
    24      10     0.3812     0.0637     0.8585
    25      11     0.3564     0.5227     0.333 
    26      12     0.334      0.521      0.8393
    27      13     0.1243     0.1871     0.2145
    28      14     0.1144     0.1645     0.8283
    29      15     0.1148     0.7408     0.0325
    30      16     0.1144     0.6938     0.5241


X-ray density (g/cm cub.)   =      3.24

MU (1/cm) =     466.052    Mass attenuation coefficient (cm**2/g) =    143.84 

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

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

    1   Ca   ,La   ,Zr       2.88         6
                                                 2.3737       9
                                                 2.3794      10
                                                 2.2914      11
                                                 2.2767      12
                                                 2.3718      15
                                                 2.3667      10
    2   Ca   ,Na             2.88         6
                                                 2.3741      14
                                                 2.376       15
                                                 2.3405      16
                                                 2.3842      13
                                                 2.3978      15
                                                 2.3469      16
    3   Ca   ,La             2.88         6
                                                 2.5334       9
                                                 2.5335      10
                                                 2.3572      11
                                                 2.3436      12
                                                 2.3421      16
                                                 2.3593       9
    4   Na   ,Ca             2.88         8
                                                 2.3776       8
                                                 2.7283      13
                                                 2.5477      14
                                                 2.225       16
                                                 2.3776       8
                                                 2.7283      13
                                                 2.5477      14
                                                 2.225       16
    5   Ti   ,Fe   ,Nb       2.592        6
                                                 1.9633      13
                                                 1.9571      14
                                                 1.9949      15
                                                 1.9633      13
                                                 1.9571      14
                                                 1.9949      15
    6    Si                  2.1          4
                                                 1.6511       8
                                                 1.61         9
                                                 1.6051      11
                                                 1.6251      13
    7    Si                  2.1          4
                                                 1.6518       8
                                                 1.6033      10
                                                 1.5996      12
                                                 1.6257      14
    8    O                   3.264        8
                                                 2.5917       9
                                                 2.5942      10
                                                 2.6421      11
                                                 2.6291      12
                                                 2.532       13
                                                 2.5253      14
                                                 2.9946      16
                                                 3.198       16
    9    O                   3.264        6
                                                 2.5917       8
                                                 3.0365      11
                                                 2.7141      11
                                                 2.7172      13
                                                 3.1529       9
                                                 3.0489      10
   10    O                   3.264        6
                                                 2.5942       8
                                                 3.0552      12
                                                 2.7373      12
                                                 2.7002      14
                                                 3.0489       9
                                                 2.9727      10
   11    O                   3.264        5
                                                 2.6421       8
                                                 2.7141       9
                                                 3.0365       9
                                                 2.6646      13
                                                 3.2314      16
   12    O                   3.264        6
                                                 2.6291       8
                                                 2.7373      10
                                                 3.0552      10
                                                 2.6409      14
                                                 3.189       15
                                                 3.1077      16
   13    O                   3.264        7
                                                 2.532        8
                                                 2.7172       9
                                                 2.6646      11
                                                 2.8166      14
                                                 2.8623      15
                                                 2.727       14
                                                 2.7343      15
   14    O                   3.264        8
                                                 2.5253       8
                                                 2.7002      10
                                                 2.6409      12
                                                 2.8166      13
                                                 2.8488      15
                                                 2.727       13
                                                 2.7394      15
                                                 3.2605      16
   15    F                   3.228        6
                                                 3.189       12
                                                 2.8623      13
                                                 2.8488      14
                                                 2.7343      13
                                                 2.7394      14
                                                 3.1707      15
   16    F                   3.228        4
                                                 3.198        8
                                                 2.9946       8
                                                 3.1077      12
                                                 2.7908      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  5.539  11.077   0.054  211.71    2        2.7        2.0
    2   0   0   1  7.148  14.296   0.07   126.21    2        7.1        8.4
    3  -1   0   1  8.148  16.296   0.079   96.62    2        8.3        8.7
    4   0   1   0  9.153  18.306   0.089   76.11    2       23.9       57.4
    5  -1   1   0  9.779  19.559   0.095   66.4     2        4.4        1.7
    6   1   0   1  9.892  19.784   0.096   64.85    2       19.6       32.9
    7   2   0   0 11.13   22.26    0.108   50.78    2        7.7        4.0
    8   0  -1   1 11.446  22.892   0.111   47.9     2        6.0        2.3
    9   1   1   0 11.594  23.188   0.112   46.63    2        4.8        1.4
   10  -1   1   1 11.686  23.373   0.113   45.86    2        9.7        5.6
   11   0   1   1 11.854  23.707   0.115   44.52    2       26.1       40.2
   12  -2   0   1 12.013  24.027   0.116   43.29    2       22.4       28.7
   13   1  -1   1 12.607  25.214   0.122   39.11    2        6.4        2.1
   14  -1  -1   1 12.889  25.777   0.125   37.34    2       34.2       57.8
   15  -2   1   0 13.056  26.111   0.126   36.34    2       62.0      184.8
   16  -2   1   1 13.996  27.992   0.135   31.36    2       21.5       19.2
   17  -1   0   2 14.398  28.795   0.139   29.52    2        8.0        2.5
   18   0   0   2 14.411  28.821   0.139   29.47    2        5.3        1.1
   19   1   1   1 14.417  28.835   0.139   29.44    2       25.3       25.0
   20   2   0   1 14.439  28.877   0.139   29.34    2       35.1       47.8
   21   2   1   0 15.797  31.593   0.152   24.2     2       39.7       50.6
   22   2  -1   1 15.843  31.686   0.153   24.05    2       31.8       32.1
   23  -2  -1   1 16.298  32.597   0.157   22.62    2        6.1        1.1
   24  -2   0   2 16.467  32.933   0.158   22.12    2       11.6        3.9
   25   1   0   2 16.501  33.002   0.159   22.02    2        6.8        1.3
   26   3   0   0 16.831  33.663   0.162   21.09    2      140.5      550.3
   27  -1   1   2 16.866  33.731   0.162   21.0     2       65.0      117.5
   28   0  -1   2 16.892  33.783   0.162   20.93    2       59.7       98.6
   29  -3   0   1 16.97   33.94    0.163   20.72    2       21.1       12.2
   30   0   1   2 17.463  34.926   0.168   19.47    2      156.5      630.3
   31  -1  -1   2 17.466  34.933   0.168   19.46    2      163.2      685.6
   32  -3   1   0 17.641  35.282   0.169   19.04    2       94.0      222.6
   33  -3   1   1 17.912  35.824   0.172   18.41    2       25.5       15.8
   34  -2   1   2 18.139  36.279   0.174   17.91    2       11.2        2.9
   35   1  -1   2 18.185  36.37    0.174   17.81    2        8.9        1.9
   36  -1   2   0 18.339  36.677   0.176   17.49    2       80.3      149.0
   37   2   1   1 18.475  36.95    0.177   17.2     2       10.3        2.4
   38   0   2   0 18.551  37.102   0.178   17.05    2       68.7      106.2
   39  -1   2   1 19.605  39.209   0.188   15.09    2        4.1        0.3
   40   3   0   1 19.685  39.369   0.188   14.95    2        6.0        0.7
   41   0  -2   1 19.723  39.446   0.189   14.89    2        7.8        1.2
   42  -2  -1   2 19.767  39.534   0.189   14.82    2       49.5       48.1
   43   1   1   2 19.784  39.568   0.189   14.79    2       50.2       49.3
   44  -2   2   0 19.859  39.718   0.19    14.66    2      121.3      285.4
   45   1  -2   1 19.946  39.893   0.191   14.52    2        2.9        0.2
   46  -3   0   2 20.047  40.093   0.192   14.36    2       31.1       18.3
   47   2   0   2 20.095  40.191   0.192   14.28    2       29.6       16.5
   48   0   2   1 20.225  40.45    0.193   14.08    2       20.3        7.7
   49   3  -1   1 20.273  40.545   0.194   14.01    2       16.7        5.2
   50   1   2   0 20.45   40.9     0.195   13.74    2       25.3       11.7
   51  -2   2   1 20.642  41.284   0.197   13.45    2       16.3        4.7
   52  -3  -1   1 20.825  41.651   0.199   13.19    2       15.1        4.0
   53   3   1   0 20.831  41.661   0.199   13.18    2       85.2      126.5
   54  -3   1   2 20.99   41.98    0.2     12.96    2       78.4      105.3
   55   2  -1   2 21.049  42.098   0.201   12.88    2       74.8       95.3
   56  -1  -2   1 21.137  42.274   0.202   12.76    2        8.5        1.2
   57  -1   0   3 21.518  43.035   0.205   12.26    2        8.5        1.2
   58   2  -2   1 21.765  43.531   0.207   11.95    2        4.0        0.3
   59   0   0   3 21.919  43.839   0.209   11.76    2       12.5        2.4
   60   1   2   1 22.389  44.778   0.213   11.21    2       12.7        2.4
   61  -4   0   1 22.438  44.877   0.213   11.16    2       28.4       11.9
   62  -2   0   3 22.653  45.306   0.215   10.92    2        7.0        0.7
   63   4   0   0 22.71   45.421   0.216   10.86    2       63.5       57.9
   64  -4   1   1 22.732  45.464   0.216   10.83    2        0.4        0.0
   65  -3   2   0 22.822  45.644   0.217   10.74    2       44.2       27.7
   66  -4   1   0 22.889  45.778   0.217   10.67    2        9.3        1.2
   67  -3   2   1 23.153  46.307   0.22    10.39    2        7.9        0.8
   68  -1   2   2 23.353  46.706   0.222   10.19    2       72.3       70.4
   69  -3  -1   2 23.367  46.733   0.222   10.18    2       29.4       11.7
   70   3   1   1 23.381  46.762   0.222   10.16    2       11.8        1.9
   71   0  -2   2 23.384  46.768   0.222   10.16    2       70.6       67.0
   72   2   1   2 23.398  46.797   0.222   10.15    2       33.1       14.7
   73  -1   1   3 23.444  46.888   0.222   10.1     2        1.7        0.0
   74   0  -1   3 23.612  47.225   0.224    9.94    2        0.9        0.0
   75  -1  -1   3 23.686  47.373   0.225    9.87    2        7.0        0.6
   76   2   2   0 23.7    47.4     0.225    9.86    2       61.9       49.9
   77   1   0   3 23.797  47.594   0.226    9.77    2       21.5        6.0
   78  -2   2   2 23.898  47.796   0.226    9.67    2       77.0       75.8
   79   1  -2   2 23.945  47.891   0.227    9.63    2       82.2       86.0
   80  -2  -2   1 23.951  47.903   0.227    9.62    2       11.5        1.7
   81  -2   1   3 24.069  48.138   0.228    9.52    2        1.4        0.0
   82   0   2   2 24.257  48.514   0.23     9.35    2        0.6        0.0
   83   0   1   3 24.264  48.529   0.23     9.34    2       12.0        1.8
   84  -1  -2   2 24.27   48.541   0.23     9.34    2        1.7        0.0
   85  -4   0   2 24.6    49.2     0.233    9.06    2       44.5       23.7
   86   3   0   2 24.658  49.315   0.233    9.01    2       40.7       19.7
   87   3  -2   1 24.898  49.797   0.235    8.81    2       22.4        5.8
   88   1  -1   3 24.964  49.928   0.236    8.76    2        1.0        0.0
   89  -4   1   2 24.979  49.958   0.236    8.75    2       20.5        4.9
   90   3  -1   2 25.047  50.094   0.237    8.69    2       23.0        6.1
   91  -3   0   3 25.163  50.325   0.238    8.6     2       11.0        1.4
   92  -2  -1   3 25.176  50.352   0.238    8.59    2       15.1        2.6
   93   4   0   1 25.356  50.712   0.239    8.45    2        7.8        0.7
   94   4  -1   1 25.416  50.833   0.24     8.41    2       18.4        3.8
   95   2   2   1 25.789  51.579   0.243    8.13    2        5.6        0.3
   96  -3   2   2 25.822  51.644   0.243    8.11    2       68.3       50.0
   97   2  -2   2 25.883  51.766   0.244    8.07    2       65.7       46.1
   98  -4  -1   1 26.036  52.072   0.245    7.96    2        4.0        0.2
   99  -3   1   3 26.06   52.121   0.246    7.94    2       11.9        1.5
  100   4   1   0 26.381  52.762   0.248    7.72    2       16.4        2.7
  101   1   1   3 26.429  52.858   0.249    7.69    2       23.9        5.8
  102  -2  -2   2 26.495  52.989   0.249    7.65    2       44.9       20.4
  103   1   2   2 26.498  52.995   0.249    7.65    2       54.1       29.6
  104  -4   2   1 26.819  53.639   0.252    7.44    2       27.1        7.2
  105  -4   2   0 26.859  53.717   0.253    7.41    2       78.5       60.4
  106   2   0   3 26.914  53.828   0.253    7.38    2       14.9        2.2
  107   2  -1   3 27.586  55.171   0.259    6.98    2       17.2        2.7
  108  -3  -2   1 27.848  55.696   0.261    6.83    2        0.7        0.0
  109  -4  -1   2 27.893  55.786   0.262    6.8     2      150.0      202.5
  110  -3  -1   3 27.915  55.83    0.262    6.79    2       29.4        7.8
  111   3   1   2 27.936  55.872   0.262    6.78    2      153.1      210.2
  112   3   2   0 27.95   55.9     0.262    6.77    2        7.9        0.6
  113  -1   3   0 27.955  55.909   0.262    6.77    2       35.3       11.2
  114  -5   1   1 28.157  56.314   0.264    6.66    2        0.6        0.0
  115  -5   0   1 28.304  56.608   0.265    6.58    2        9.7        0.8
  116   0   3   0 28.504  57.008   0.267    6.48    2       47.4       19.2
  117  -5   1   0 28.614  57.228   0.268    6.42    2      102.3       88.9
  118  -2   3   0 28.684  57.369   0.268    6.39    2       23.0        4.5
  119  -4   0   3 28.784  57.569   0.269    6.34    2       28.5        6.8
  120   0  -2   3 28.803  57.606   0.269    6.33    2        5.4        0.2
  121  -1   2   3 28.838  57.677   0.27     6.31    2       21.0        3.7
  122   5   0   0 28.855  57.71    0.27     6.3     2       30.9        7.9
  123   4   1   1 28.874  57.748   0.27     6.29    2        4.4        0.2
  124  -4   2   2 28.928  57.856   0.27     6.27    2       20.1        3.3
  125  -1   3   1 28.98   57.959   0.271    6.24    2       21.2        3.7
  126  -2   2   3 28.992  57.984   0.271    6.23    2        6.9        0.4
  127   3  -2   2 28.999  57.998   0.271    6.23    2       17.7        2.6
  128   4  -2   1 29.04   58.08    0.271    6.21    2       36.0       10.6
  129   1  -3   1 29.046  58.092   0.271    6.21    2       11.7        1.1
  130  -1   0   4 29.213  58.427   0.273    6.13    2      197.1      314.6
  131  -4   1   3 29.22   58.44    0.273    6.13    2        3.0        0.1
  132  -1  -2   3 29.257  58.513   0.273    6.11    2        6.3        0.3
  133   0  -3   1 29.267  58.534   0.273    6.1     2        0.7        0.0
  134  -2   3   1 29.378  58.757   0.274    6.05    2        1.9        0.0
  135   1  -2   3 29.604  59.209   0.276    5.95    2        9.6        0.7
  136   2   1   3 29.732  59.463   0.277    5.89    2       35.8       10.0
  137  -5   1   2 29.8    59.599   0.278    5.86    2       71.6       39.7
  138  -2   0   4 29.821  59.643   0.278    5.85    2       11.8        1.1
  139   0   3   1 29.831  59.661   0.278    5.85    2       13.0        1.3
  140  -5   0   2 29.848  59.696   0.278    5.84    2       14.3        1.6
  141  -3  -2   2 29.848  59.697   0.278    5.84    2       87.7       59.3
  142   0   0   4 29.85   59.701   0.278    5.84    2        2.8        0.1
  143   2   2   2 29.866  59.731   0.278    5.83    2       83.8       54.2
  144   4  -1   2 29.874  59.748   0.278    5.83    2       70.3       38.1
  145   4   0   2 29.913  59.826   0.279    5.81    2       11.5        1.0
  146   0   2   3 29.935  59.869   0.279    5.8     2       21.8        3.7
  147   2  -3   1 30.071  60.142   0.28     5.74    2        9.4        0.7
  148   3   2   1 30.14   60.279   0.281    5.71    2       20.8        3.3
  149   1   3   0 30.288  60.576   0.282    5.65    2        5.3        0.2
  150  -3   2   3 30.384  60.768   0.283    5.61    2       13.4        1.3
  151  -3   3   0 30.635  61.27    0.285    5.51    2       65.7       31.4
  152  -1  -3   1 30.717  61.434   0.286    5.48    2       20.6        3.1
  153  -1   1   4 30.877  61.754   0.287    5.41    2       11.1        0.9
  154  -1  -1   4 30.895  61.791   0.287    5.41    2        5.4        0.2
  155  -2  -2   3 30.931  61.862   0.287    5.39    2       46.8       15.6
  156  -3   3   1 30.997  61.995   0.288    5.37    2        0.2        0.0
  157   3   0   3 31.022  62.045   0.288    5.36    2       24.1        4.1
  158  -2   1   4 31.093  62.186   0.289    5.33    2       29.3        6.0
  159   5  -1   1 31.112  62.224   0.289    5.32    2       10.9        0.8
  160   0  -1   4 31.14   62.279   0.289    5.31    2       30.7        6.6
  161   3  -1   3 31.267  62.534   0.29     5.27    2       16.5        1.9
  162  -5   2   1 31.381  62.762   0.291    5.22    2        2.5        0.0
  163   5   0   1 31.432  62.863   0.292    5.21    2       24.3        4.1
  164   2  -2   3 31.602  63.204   0.293    5.14    2       26.2        4.7
  165  -3   0   4 31.63   63.261   0.293    5.13    2        5.2        0.2
  166   1   0   4 31.686  63.373   0.294    5.11    2        3.8        0.1
  167  -4  -1   3 31.694  63.387   0.294    5.11    2       29.2        5.8
  168  -5   2   0 31.719  63.438   0.294    5.1     2       64.6       28.2
  169  -5  -1   1 31.792  63.585   0.295    5.08    2       13.9        1.3
  170  -2  -1   4 31.854  63.707   0.295    5.06    2       13.2        1.2
  171   0   1   4 31.863  63.727   0.295    5.05    2       16.2        1.8
  172   1   3   1 31.87   63.74    0.295    5.05    2       22.5        3.4
  173  -1   3   2 31.993  63.985   0.296    5.01    2      123.1      100.3
  174   0  -3   2 32.027  64.054   0.296    5.0     2      118.5       92.8
  175  -2   3   2 32.07   64.14    0.297    4.98    2       80.2       42.4
  176   1  -3   2 32.118  64.236   0.297    4.97    2       83.2       45.5
  177   1   2   3 32.203  64.406   0.298    4.94    2       36.0        8.4
  178   3  -3   1 32.27   64.54    0.298    4.92    2       14.4        1.4
  179   5   1   0 32.396  64.792   0.299    4.87    2       55.9       20.1
  180  -3   1   4 32.498  64.996   0.3      4.84    2       32.7        6.8
  181   1  -1   4 32.571  65.142   0.301    4.82    2       37.6        9.0
  182  -4  -2   1 32.598  65.197   0.301    4.81    2       19.0        2.3
  183  -4   2   3 32.92   65.84    0.304    4.71    2       29.3        5.3
  184   4   2   0 32.987  65.974   0.304    4.69    2       67.2       28.0
  185  -5   2   2 33.014  66.028   0.305    4.68    2       79.3       38.9
  186   0   3   2 33.093  66.186   0.305    4.66    2        9.2        0.5
  187   4  -2   2 33.093  66.187   0.305    4.66    2       81.6       41.0
  188  -1  -3   2 33.113  66.226   0.305    4.65    2       15.7        1.5
  189  -5  -1   2 33.151  66.302   0.306    4.64    2        2.4        0.0
  190   2   3   0 33.187  66.374   0.306    4.63    2       55.7       19.0
  191   4   1   2 33.204  66.407   0.306    4.62    2        3.2        0.1
  192  -2  -3   1 33.302  66.604   0.307    4.59    2        1.4        0.0
  193  -5   0   3 33.309  66.617   0.307    4.59    2       24.5        3.6
  194  -3   3   2 33.321  66.641   0.307    4.59    2       17.2        1.8
  195  -5   1   3 33.351  66.702   0.307    4.58    2       24.1        3.5
  196   2  -3   2 33.381  66.763   0.308    4.57    2       13.2        1.1
  197  -4   3   0 33.682  67.364   0.31     4.49    2       14.4        1.2
  198  -3  -2   3 33.72   67.44    0.31     4.48    2        9.9        0.6
  199  -4   3   1 33.735  67.469   0.31     4.47    2       26.1        4.0
  200  -3  -1   4 33.958  67.916   0.312    4.41    2       17.6        1.8
  201   3   1   3 33.984  67.969   0.312    4.4     2       15.4        1.4
  202   1   1   4 33.994  67.989   0.313    4.4     2       27.3        4.3
  203   5  -2   1 33.997  67.994   0.313    4.4     2        4.6        0.1
  204  -6   1   1 34.122  68.244   0.314    4.37    2       10.8        0.7
  205  -4  -2   2 34.144  68.289   0.314    4.36    2       83.9       40.6
  206   3   2   2 34.174  68.348   0.314    4.35    2       82.9       39.5
  207  -4   0   4 34.535  69.071   0.317    4.26    2      110.3       68.6
  208  -6   0   1 34.608  69.216   0.317    4.24    2       16.4        1.5
  209   2   0   4 34.616  69.232   0.318    4.24    2      104.8       61.6
  210   3  -2   3 34.681  69.362   0.318    4.22    2       18.6        1.9
  211  -6   1   0 34.821  69.642   0.319    4.19    2       86.5       41.4
  212   5   1   1 34.909  69.818   0.32     4.17    2       11.2        0.7
  213   2   3   1 34.985  69.971   0.321    4.15    2        5.9        0.2
  214  -4   1   4 35.016  70.031   0.321    4.14    2       68.4       25.6
  215   2  -1   4 35.113  70.226   0.322    4.12    2       66.1       23.8
  216   4   2   1 35.279  70.558   0.323    4.08    2       33.4        6.0
  217   1   3   2 35.315  70.63    0.323    4.07    2       53.2       15.2
  218  -6   1   2 35.32   70.641   0.323    4.07    2       74.0       29.5
  219  -2  -3   2 35.321  70.642   0.323    4.07    2       50.9       13.9
  220   6   0   0 35.388  70.776   0.324    4.05    2       29.4        4.6
  221   5  -1   2 35.402  70.804   0.324    4.05    2       73.6       29.0
  222  -2   2   4 35.469  70.937   0.324    4.04    2       62.8       21.0
  223   2   2   3 35.525  71.05    0.325    4.02    2        1.2        0.0
  224   4  -3   1 35.528  71.055   0.325    4.02    2       25.2        3.4
  225   0  -2   4 35.53   71.059   0.325    4.02    2       54.9       16.1
  226  -1   2   4 35.616  71.233   0.326    4.0     2       36.8        7.2
  227  -1  -2   4 35.651  71.302   0.326    3.99    2       37.7        7.5
  228  -4   3   2 35.683  71.365   0.326    3.99    2       85.7       38.7
  229  -6   0   2 35.714  71.428   0.326    3.98    2       52.7       14.6
  230   3  -3   2 35.755  71.509   0.327    3.97    2       86.8       39.6
  231   5   0   2 35.787  71.574   0.327    3.97    2       54.5       15.6
  232   4  -1   3 35.848  71.695   0.327    3.95    2       37.8        7.5
  233   4   0   3 35.968  71.936   0.328    3.93    2        4.4        0.1
  234  -5  -1   3 36.361  72.722   0.331    3.84    2       16.2        1.3
  235  -3   2   4 36.444  72.889   0.332    3.83    2       75.7       29.0
  236  -5   2   3 36.483  72.965   0.332    3.82    2       18.8        1.8
  237  -2   3   3 36.519  73.037   0.333    3.81    2        7.3        0.3
  238   1  -2   4 36.531  73.062   0.333    3.81    2       74.9       28.2
  239   0  -3   3 36.537  73.074   0.333    3.81    2       12.6        0.8
  240  -6   2   1 36.713  73.426   0.334    3.77    2        0.1        0.0
  241  -1   3   3 36.728  73.456   0.334    3.77    2       10.7        0.6
  242   0   2   4 36.883  73.765   0.335    3.74    2       37.8        7.1
  243  -2  -2   4 36.891  73.781   0.336    3.74    2       48.3       11.5
  244   1  -3   3 36.904  73.809   0.336    3.74    2       17.2        1.5
  245  -3  -3   1 36.908  73.815   0.336    3.74    2       10.0        0.5
  246   3   3   0 37.079  74.158   0.337    3.71    2      103.7       52.7
  247  -4  -1   4 37.117  74.235   0.337    3.7     2       76.7       28.8
  248   2   1   4 37.178  74.357   0.338    3.69    2       69.2       23.3
  249  -1  -3   3 37.282  74.564   0.339    3.67    2       17.4        1.5
  250  -6   2   0 37.308  74.616   0.339    3.66    2       38.9        7.3
  251   6  -1   1 37.371  74.741   0.339    3.65    2        7.6        0.3
  252  -3   3   3 37.421  74.842   0.34     3.64    2       14.6        1.0
  253  -5   3   1 37.479  74.958   0.34     3.63    2       23.9        2.7
  254  -4  -2   3 37.512  75.024   0.34     3.63    2        1.3        0.0
  255  -1   0   5 37.634  75.268   0.341    3.61    2        5.0        0.1
  256  -5   3   0 37.708  75.415   0.342    3.59    2       72.1       24.7
  257  -2   0   5 37.893  75.787   0.343    3.56    2        8.1        0.3
  258  -6   2   2 37.96   75.92    0.344    3.55    2       86.2       34.9
  259   6   0   1 38.005  76.011   0.344    3.54    2       12.3        0.7
  260   0   3   3 38.042  76.084   0.344    3.54    2       23.2        2.5
  261   5  -2   2 38.048  76.096   0.345    3.54    2       86.8       35.2
  262  -5  -2   1 38.111  76.222   0.345    3.53    2       11.5        0.6
  263  -6  -1   1 38.121  76.243   0.345    3.52    2       17.7        1.5
  264  -6   1   3 38.34   76.68    0.347    3.49    2        7.7        0.3
  265   2  -3   3 38.372  76.745   0.347    3.48    2       16.7        1.3
  266  -5   0   4 38.433  76.866   0.347    3.47    2       31.4        4.5
  267   0   0   5 38.475  76.95    0.348    3.47    2       21.5        2.1
  268  -4   2   4 38.511  77.022   0.348    3.46    2       11.6        0.6
  269   3   0   4 38.536  77.072   0.348    3.46    2       37.5        6.4
  270  -5   1   4 38.556  77.111   0.348    3.46    2        1.4        0.0
  271  -3  -3   2 38.571  77.141   0.349    3.45    2       52.7       12.7
  272   2   3   2 38.578  77.155   0.349    3.45    2       51.2       11.9
  273   2  -2   4 38.621  77.243   0.349    3.45    2       16.7        1.3
  274  -6   0   3 38.64   77.279   0.349    3.44    2        1.5        0.0
  275   3  -1   4 38.675  77.35    0.349    3.44    2        8.5        0.3
  276  -1   4   0 38.711  77.421   0.35     3.43    2       12.8        0.7
  277   4  -2   3 38.738  77.476   0.35     3.43    2        8.8        0.3
  278   5   2   0 38.752  77.503   0.35     3.43    2       59.2       15.8
  279   6   1   0 38.956  77.912   0.351    3.4     2       56.3       14.2
  280  -2   4   0 38.996  77.992   0.352    3.39    2       76.0       25.9
  281  -1  -1   5 39.049  78.099   0.352    3.38    2        1.3        0.0
  282  -5   3   2 39.076  78.152   0.352    3.38    2       10.0        0.4
  283   3   3   1 39.076  78.153   0.352    3.38    2        9.6        0.4
  284   4   1   3 39.089  78.178   0.352    3.38    2       10.4        0.5
  285  -6  -1   2 39.107  78.213   0.353    3.37    2       29.1        3.8
  286  -2   1   5 39.116  78.233   0.353    3.37    2       18.1        1.5
  287  -2  -3   3 39.117  78.234   0.353    3.37    2       11.0        0.5
  288   4  -3   2 39.159  78.317   0.353    3.37    2       10.1        0.5
  289   5   1   2 39.168  78.337   0.353    3.37    2       30.5        4.1
  290  -1   1   5 39.197  78.395   0.353    3.36    2       24.9        2.8
  291  -3  -2   4 39.209  78.418   0.353    3.36    2       54.3       13.1
  292   1   2   4 39.227  78.453   0.354    3.36    2       47.2        9.9
  293  -3   0   5 39.246  78.492   0.354    3.35    2       33.6        5.0
  294  -5  -2   2 39.29   78.579   0.354    3.35    2       21.2        2.0
  295   4   2   2 39.33   78.661   0.354    3.34    2       22.5        2.2
  296  -4   3   3 39.408  78.816   0.355    3.33    2       14.6        0.9
  297   0   4   0 39.516  79.032   0.356    3.32    2      134.0       78.7
  298   0  -1   5 39.545  79.09    0.356    3.31    2       22.1        2.1
  299   1  -4   1 39.563  79.126   0.356    3.31    2       14.0        0.9
  300  -2  -1   5 39.643  79.286   0.357    3.3     2       29.9        3.9
  301  -1   4   1 39.67   79.34    0.357    3.3     2       22.3        2.2
  302  -2   4   1 39.679  79.358   0.357    3.3     2       16.9        1.2
  303   6  -2   1 39.716  79.432   0.357    3.29    2        2.5        0.0
  304   5  -3   1 39.752  79.504   0.357    3.29    2       11.4        0.6
  305   3   2   3 39.808  79.617   0.358    3.28    2        6.0        0.2
  306   0  -4   1 40.09   80.18    0.36     3.24    2        9.6        0.4
  307   2  -4   1 40.121  80.242   0.36     3.24    2       11.1        0.5
  308  -3   1   5 40.122  80.245   0.36     3.24    2       19.6        1.7
  309   0   1   5 40.364  80.727   0.362    3.21    2       28.3        3.4
  310  -3   4   0 40.366  80.733   0.362    3.21    2      113.6       54.8
  311   1   0   5 40.395  80.79    0.362    3.21    2       41.2        7.2
  312   1   3   3 40.427  80.853   0.362    3.2     2        5.7        0.1
  313  -7   1   1 40.704  81.407   0.365    3.17    2       13.9        0.8
  314   0   4   1 40.743  81.487   0.365    3.17    2        1.4        0.0
  315  -3   4   1 40.771  81.541   0.365    3.16    2       11.3        0.5
  316   3  -3   3 40.904  81.809   0.366    3.15    2        5.1        0.1
  317  -6   2   3 40.995  81.989   0.367    3.14    2       14.9        0.9
  318   1  -1   5 41.119  82.238   0.368    3.13    2       38.8        6.2
  319   5   2   1 41.188  82.377   0.368    3.12    2        5.2        0.1
  320  -5  -1   4 41.26   82.52    0.369    3.11    2        5.2        0.1
  321   5  -1   3 41.275  82.551   0.369    3.11    2        1.5        0.0
  322  -3  -1   5 41.313  82.626   0.369    3.11    2        7.9        0.3
  323   3   1   4 41.345  82.689   0.369    3.1     2        1.4        0.0
  324   1   4   0 41.396  82.792   0.37     3.1     2       15.0        0.9
  325  -4  -3   1 41.464  82.928   0.37     3.09    2       27.9        3.2
  326  -7   0   1 41.495  82.989   0.37     3.09    2        3.1        0.0
  327  -7   1   2 41.564  83.127   0.371    3.08    2       54.8       12.2
  328   6   1   1 41.58   83.161   0.371    3.08    2        3.3        0.0
  329  -5   2   4 41.621  83.242   0.371    3.07    2       60.9       15.1
  330  -7   1   0 41.634  83.269   0.371    3.07    2       12.2        0.6
  331   6  -1   2 41.654  83.307   0.372    3.07    2       55.9       12.7
  332  -4   0   5 41.663  83.327   0.372    3.07    2       13.2        0.7
  333  -1  -4   1 41.693  83.386   0.372    3.07    2        4.3        0.1
  334   5   0   3 41.723  83.447   0.372    3.06    2        1.2        0.0
  335   3  -4   1 41.754  83.509   0.372    3.06    2        5.3        0.1
  336   3  -2   4 41.755  83.509   0.372    3.06    2       59.0       14.1
  337  -6  -1   3 41.877  83.754   0.373    3.05    2        2.0        0.0
  338   4   3   0 41.902  83.803   0.373    3.05    2       39.6        6.3
  339  -3  -3   3 42.003  84.006   0.374    3.04    2       15.8        1.0
  340  -2   4   2 42.149  84.297   0.375    3.02    2        5.0        0.1
  341  -6   3   1 42.17   84.34    0.375    3.02    2        8.2        0.3
  342  -4   1   5 42.197  84.394   0.375    3.02    2       33.4        4.5
  343   1  -4   2 42.2    84.401   0.375    3.02    2        9.8        0.4
  344  -5  -2   3 42.248  84.495   0.376    3.02    2        8.1        0.3
  345  -7   0   2 42.271  84.541   0.376    3.01    2       47.5        9.0
  346   6   0   2 42.352  84.705   0.377    3.01    2       41.7        6.9
  347  -1   4   2 42.411  84.822   0.377    3.0     2       19.3        1.5
  348  -5   3   3 42.442  84.885   0.377    3.0     2        9.5        0.4
  349   0  -4   2 42.45   84.9     0.377    3.0     2       13.7        0.7
  350   7   0   0 42.503  85.006   0.378    2.99    2       11.3        0.5
  351  -2   3   4 42.551  85.102   0.378    2.99    2       43.0        7.3
  352  -4  -2   4 42.563  85.126   0.378    2.99    2        7.2        0.2
  353   1   1   5 42.595  85.191   0.378    2.99    2       25.8        2.6
  354   2   2   4 42.605  85.211   0.378    2.99    2       10.0        0.4
  355   0  -3   4 42.625  85.25    0.379    2.98    2       46.1        8.4
  356  -6   3   0 42.663  85.326   0.379    2.98    2       59.5       14.0
  357  -4   4   0 42.798  85.597   0.38     2.97    2        7.4        0.2
  358  -4  -3   2 42.81   85.621   0.38     2.97    2       16.3        1.0
  359   3   3   2 42.83   85.66    0.38     2.97    2       19.5        1.5
  360  -7   2   1 42.834  85.668   0.38     2.97    2        2.9        0.0
  361   1   4   1 42.883  85.766   0.38     2.96    2        4.2        0.1
  362  -4   4   1 42.928  85.856   0.381    2.96    2        9.4        0.3
  363  -3   4   2 42.958  85.916   0.381    2.96    2       30.5        3.6
  364   2  -4   2 43.022  86.044   0.381    2.95    2       29.1        3.3
  365  -1   3   4 43.023  86.046   0.381    2.95    2       28.7        3.2
  366  -6   1   4 43.069  86.138   0.382    2.95    2       86.0       28.8
  367  -1  -3   4 43.072  86.144   0.382    2.95    2       20.5        1.6
  368  -3   3   4 43.15   86.299   0.382    2.94    2       18.2        1.3
  369   4  -1   4 43.211  86.422   0.383    2.94    2       86.7       29.2
  370  -2   2   5 43.248  86.496   0.383    2.94    2       12.7        0.6
  371   1  -3   4 43.249  86.498   0.383    2.94    2       20.3        1.6
  372  -6   0   4 43.281  86.561   0.383    2.93    2       39.1        5.9
  373   2   0   5 43.365  86.731   0.384    2.93    2       15.2        0.9
  374  -1  -2   5 43.368  86.737   0.384    2.93    2       27.5        2.9
  375   4   0   4 43.406  86.812   0.384    2.92    2       40.1        6.2
  376  -6   3   2 43.457  86.914   0.384    2.92    2       14.7        0.8
  377   0  -2   5 43.524  87.047   0.385    2.92    2       10.2        0.4
  378   5  -3   2 43.551  87.101   0.385    2.91    2       15.5        0.9
  379  -1   2   5 43.658  87.317   0.386    2.91    2       28.9        3.2
  380  -7   2   0 43.677  87.354   0.386    2.91    2       13.3        0.7
  381   5  -2   3 43.74   87.48    0.386    2.9     2       12.6        0.6
  382   0   4   2 43.742  87.485   0.387    2.9     2        4.5        0.1
  383   2  -1   5 43.751  87.503   0.387    2.9     2       25.4        2.5
  384  -7   2   2 43.768  87.536   0.387    2.9     2       55.6       11.9
  385  -1  -4   2 43.769  87.538   0.387    2.9     2        3.8        0.1
  386   2   3   3 43.849  87.697   0.387    2.89    2       16.8        1.1
  387   6  -2   2 43.866  87.732   0.387    2.89    2       52.7       10.6
  388  -3   2   5 43.906  87.813   0.388    2.89    2       24.2        2.2
  389  -4  -1   5 44.04   88.08    0.389    2.88    2       30.5        3.5
  390   4   3   1 44.116  88.233   0.389    2.88    2        2.8        0.0
  391  -7   1   3 44.198  88.396   0.39     2.87    2        4.5        0.1
  392  -2  -2   5 44.282  88.563   0.39     2.87    2        4.4        0.1
  393   2   4   0 44.329  88.658   0.391    2.86    2       62.9       15.0
  394   7  -1   1 44.339  88.677   0.391    2.86    2        4.3        0.1
  395  -2  -4   1 44.354  88.707   0.391    2.86    2       11.8        0.5
  396  -6  -2   1 44.439  88.879   0.391    2.86    2        7.2        0.2
  397   4  -4   1 44.445  88.89    0.391    2.86    2        4.8        0.1
  398   4  -3   3 44.473  88.946   0.392    2.86    2        8.7        0.3
  399   0   3   4 44.562  89.125   0.392    2.85    2        1.4        0.0
  400  -2  -3   4 44.586  89.173   0.392    2.85    2        8.7        0.3
  401   1  -2   5 44.747  89.494   0.394    2.84    2        7.4        0.2
  402  -4   3   4 44.815  89.631   0.394    2.84    2       41.0        6.3
  403  -7   0   3 44.821  89.641   0.394    2.84    2        6.2        0.1
  404  -4   4   2 44.834  89.668   0.394    2.84    2       32.1        3.9
  405   3  -4   2 44.91   89.821   0.395    2.83    2       31.0        3.6
  406   6  -3   1 44.931  89.862   0.395    2.83    2        3.1        0.0
  407   2  -3   4 44.94   89.879   0.395    2.83    2       40.1        6.0


  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   0   1   0   9.153  18.306  5.62294       57.4      4.4      4.4     5.6
    2   1   0   1   9.892  19.784  5.20667       32.9      2.5      2.5     5.6
    3   0   1   1  11.854  23.707  4.35443       40.2      3.1      3.1     5.6
    4  -2   0   1  12.013  24.027  4.2974        28.7      2.2      2.2     5.6
    5  -1  -1   1  12.889  25.777  4.01001       57.8      4.4      4.4     5.6
    6  -2   1   0  13.056  26.111  3.95962      184.8     14.0     14.1     5.6
    7  -2   1   1  13.996  27.992  3.69832       19.2      1.5      1.5     5.6
    8   2   0   1  14.439  28.877  3.58726       76.4      5.8      5.8     5.6
    9   2   1   0  15.797  31.593  3.28573       50.6      3.8      3.9     5.6
   10   2  -1   1  15.843  31.686  3.27637       32.1      2.4      2.4     5.6
   11   3   0   0  16.831  33.663  3.08908      550.3     41.8     41.9     5.7
   12  -1   1   2  16.866  33.731  3.08298      216.1     16.4     16.4     5.7
   13  -1  -1   2  17.466  34.933  2.9801      1315.9    100.0    100.0     5.7
   14  -3   1   0  17.641  35.282  2.95154      222.6     16.9     16.9     5.7
   15  -3   1   1  17.912  35.824  2.90827       15.8      1.2      1.2     5.7
   16  -1   2   0  18.339  36.677  2.84286      149.0     11.3     11.3     5.7
   17   0   2   0  18.551  37.102  2.81147      106.2      8.1      8.1     5.7
   18   1   1   2  19.784  39.568  2.64264       97.4      7.4      7.4     5.7
   19  -2   2   0  19.859  39.718  2.63301      285.4     21.7     21.6     5.7
   20  -3   0   2  20.047  40.093  2.60938       18.3      1.4      1.4     5.7
   21   2   0   2  20.095  40.191  2.60334       16.5      1.3      1.2     5.7
   22   3   1   0  20.831  41.661  2.51531      130.5      9.9      9.9     5.7
   23  -3   1   2  20.99   41.98   2.49705      105.3      8.0      7.9     5.7
   24   2  -1   2  21.049  42.098  2.49038       95.3      7.2      7.2     5.7
   25   4   0   0  22.71   45.421  2.31681       57.9      4.4      4.4     5.7
   26  -3   2   0  22.822  45.644  2.30608       27.7      2.1      2.1     5.7
   27  -1   2   2  23.353  46.706  2.25647       83.9      6.4      6.3     5.7
   28   0  -2   2  23.384  46.768  2.25364       81.7      6.2      6.1     5.7
   29   2   2   0  23.7    47.4    2.22533       49.9      3.8      3.7     5.7
   30  -2   2   2  23.898  47.796  2.20794       75.8      5.8      5.7     5.7
   31   1  -2   2  23.945  47.891  2.20383       87.7      6.7      6.6     5.7
   32  -4   0   2  24.6    49.2    2.1487        23.7      1.8      1.8     5.7
   33   3   0   2  24.658  49.315  2.14398       19.7      1.5      1.5     5.7
   34  -3   2   2  25.822  51.644  2.05349       50.0      3.8      3.7     5.8
   35   2  -2   2  25.883  51.766  2.04901       46.1      3.5      3.4     5.8
   36   1   2   2  26.498  52.995  2.00479       50.1      3.8      3.7     5.8
   37  -4   2   0  26.859  53.717  1.97981       60.4      4.6      4.5     5.8
   38  -4  -1   2  27.893  55.786  1.91197      210.3     16.0     15.6     5.8
   39   3   1   2  27.936  55.872  1.90926      221.9     16.9     16.5     5.8
   40   0   3   0  28.504  57.008  1.87431       19.2      1.5      1.4     5.8
   41  -5   1   0  28.614  57.228  1.86771       88.9      6.8      6.6     5.8
   42  -1   0   4  29.213  58.427  1.83267      314.7     23.9     23.3     5.8
   43  -5   1   2  29.8    59.599  1.79984       40.8      3.1      3.0     5.8
   44   2   2   2  29.866  59.731  1.79622      154.6     11.7     11.4     5.8
   45  -3   3   0  30.635  61.27   1.75534       31.4      2.4      2.3     5.8
   46  -2  -2   3  30.931  61.862  1.74019       15.6      1.2      1.1     5.8
   47  -5   2   0  31.719  63.438  1.70129       33.9      2.6      2.5     5.9
   48  -1   3   2  31.993  63.985  1.68827      100.3      7.6      7.4     5.9
   49   0  -3   2  32.027  64.054  1.68666       92.8      7.1      6.8     5.9
   50  -2   3   2  32.07   64.14   1.68463       42.4      3.2      3.1     5.9
   51   1  -3   2  32.118  64.236  1.68238       45.5      3.5      3.3     5.9
   52   5   1   0  32.396  64.792  1.66949       20.1      1.5      1.5     5.9
   53  -5   2   2  33.014  66.028  1.64168       66.9      5.1      4.9     5.9
   54   4  -2   2  33.093  66.187  1.63819       42.6      3.2      3.1     5.9
   55   2   3   0  33.187  66.374  1.63409       19.1      1.4      1.4     5.9
   56  -4  -2   2  34.144  68.289  1.59361       40.6      3.1      3.0     5.9
   57   3   2   2  34.174  68.348  1.5924        39.5      3.0      2.9     5.9
   58  -4   0   4  34.535  69.071  1.57776       68.6      5.2      5.0     5.9
   59   2   0   4  34.616  69.232  1.57456       63.1      4.8      4.6     5.9
   60  -6   1   0  34.821  69.642  1.56644       41.4      3.1      3.0     5.9
   61  -4   1   4  35.016  70.031  1.55883       25.6      1.9      1.9     5.9
   62   2  -1   4  35.113  70.226  1.55507       23.8      1.8      1.7     5.9
   63  -6   1   2  35.32   70.641  1.54711       58.6      4.5      4.3     5.9
   64   5  -1   2  35.402  70.804  1.54401       33.7      2.6      2.4     5.9
   65  -2   2   4  35.469  70.937  1.54149       21.0      1.6      1.5     5.9
   66   0  -2   4  35.53   71.059  1.53919       19.4      1.5      1.4     5.9
   67  -4   3   2  35.683  71.365  1.53346       38.7      2.9      2.8     5.9
   68  -6   0   2  35.714  71.428  1.53229       14.6      1.1      1.1     5.9
   69   3  -3   2  35.755  71.509  1.53078       39.6      3.0      2.9     5.9
   70   5   0   2  35.787  71.574  1.52959       15.6      1.2      1.1     5.9
   71  -3   2   4  36.444  72.889  1.50572       29.0      2.2      2.1     6.0
   72   1  -2   4  36.531  73.062  1.50264       29.0      2.2      2.1     6.0
   73  -2  -2   4  36.891  73.781  1.49005       20.5      1.6      1.5     6.0
   74   3   3   0  37.079  74.158  1.48356       52.7      4.0      3.8     6.0
   75  -4  -1   4  37.117  74.235  1.48225       28.8      2.2      2.1     6.0
   76   2   1   4  37.178  74.357  1.48017       23.3      1.8      1.7     6.0
   77  -5   3   0  37.708  75.415  1.46242       24.7      1.9      1.8     6.0
   78  -6   2   2  37.96   75.92   1.45414       34.9      2.6      2.5     6.0
   79   5  -2   2  38.048  76.096  1.45129       37.7      2.9      2.7     6.0
   80  -3  -3   2  38.571  77.141  1.43462       24.6      1.9      1.8     6.0
   81   5   2   0  38.752  77.503  1.42897       15.8      1.2      1.1     6.0
   82   6   1   0  38.956  77.912  1.42266       14.2      1.1      1.0     6.0
   83  -2   4   0  38.996  77.992  1.42143       25.9      2.0      1.9     6.0
   84  -3  -2   4  39.209  78.418  1.41495       23.0      1.7      1.6     6.0
   85   0   4   0  39.516  79.032  1.40573       80.9      6.1      5.8     6.0
   86  -3   4   0  40.366  80.733  1.38104       65.4      5.0      4.6     6.1
   87  -5   2   4  41.621  83.242  1.34667       15.7      1.2      1.1     6.1
   88   6  -1   2  41.654  83.307  1.34581       13.4      1.0      0.9     6.1
   89   3  -2   4  41.755  83.509  1.34315       14.1      1.1      1.0     6.1
   90  -6   3   0  42.663  85.326  1.31987       14.0      1.1      1.0     6.1
   91  -6   1   4  43.069  86.138  1.30984       30.5      2.3      2.1     6.1
   92   4  -1   4  43.211  86.422  1.30638       29.2      2.2      2.0     6.1
   93  -7   2   2  43.768  87.536  1.29305       14.4      1.1      1.0     6.2
   94   2   4   0  44.329  88.658  1.28004       15.6      1.2      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)