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       ***
                  ***********************
APATITE

3, rare-earth bearing, f-apatite

Ca(10)[PO(4)](6)(OH,F,Cl)(2)


Hexagonal  P 6(3)/m  Z = 1

R =0.015          NR =557

9 .3 .1992

Ref.Str.:

         Hughes J.M., Cameron M., Mariano A.N. (1991)

         * Amer. Mineral., 76, 1165-1173

Reserv:

         [Ca(7.67)Na(0.95)Mn(0.01)Fe(0.03)Sr(0.02)Y(0.03)La(0.34)Ce(0.57)Pr(0.04)-

         Nd(0.20)Sm(0.02)Gd(0.01)](9.89)[P(5.78)Si(0.32)](6.10)O(24)F(2.16)

                   Initial data from BDM-file 

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

             a =   9.4052   alpha =   90.0 
             b =   9.4052   beta  =   90.0 
             c =   6.9125   gamma =  120.0 

    Unit cell volume (cub. angs.) =   529.54

    Molar volume ( cub.cm/mol.) =   318.96

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

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

   1 0.6667  0.3333  0.9988   0.99   Ca    = 0.66, Na    = 0.24
   2 0.9886  0.2388  0.25     0.89   Ca    = 0.84, Ce    = 0.09, La    = 0.06
   3 0.3688  0.3969  0.25     0.63   P     = 0.95, Si    = 0.05
   4 0.4821  0.3233  0.25     1.14   O     = 1.00
   5 0.4671  0.5853  0.25     1.35   O     = 1.00
   6 0.2557  0.3396  0.0721   1.65   O     = 1.00
   7 0.0     0.0     0.25     2.5    F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6667     0.3333     0.9988
     2       2     0.9886     0.2388     0.25  
     3       3     0.3688     0.3969     0.25  
     4       4     0.4821     0.3233     0.25  
     5       5     0.4671     0.5853     0.25  
     6       6     0.2557     0.3396     0.0721
     7       7     0.0        0.0        0.25  
     8       2     0.7612     0.7497     0.25  
     9       2     0.2503     0.0114     0.25  
    10       3     0.6031     0.9719     0.25  
    11       3     0.0281     0.6312     0.25  
    12       4     0.6767     0.1588     0.25  
    13       4     0.8412     0.5179     0.25  
    14       5     0.4147     0.8818     0.25  
    15       5     0.1182     0.5329     0.25  
    16       6     0.6604     0.9161     0.0721
    17       6     0.0839     0.7443     0.0721
    18       1     0.3333     0.6667     0.4988
    19       2     0.0114     0.7612     0.75  
    20       3     0.6312     0.6031     0.75  
    21       4     0.5179     0.6767     0.75  
    22       5     0.5329     0.4147     0.75  
    23       6     0.7443     0.6604     0.5721
    24       7     0.0        0.0        0.75  
    25       2     0.2388     0.2503     0.75  
    26       2     0.7497     0.9886     0.75  
    27       3     0.3969     0.0281     0.75  
    28       3     0.9719     0.3688     0.75  
    29       4     0.3233     0.8412     0.75  
    30       4     0.1588     0.4821     0.75  
    31       5     0.5853     0.1182     0.75  
    32       5     0.8818     0.4671     0.75  
    33       6     0.3396     0.0839     0.5721
    34       6     0.9161     0.2557     0.5721
    35       1     0.6667     0.3333     0.5012
    36       6     0.2557     0.3396     0.4279
    37       6     0.6604     0.9161     0.4279
    38       6     0.0839     0.7443     0.4279
    39       1     0.3333     0.6667     0.0012
    40       6     0.7443     0.6604     0.9279
    41       6     0.3396     0.0839     0.9279
    42       6     0.9161     0.2557     0.9279


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

MU (1/cm) =     360.352    Mass attenuation coefficient (cm**2/g) =    107.764

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

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

    1   Ca   ,Na             2.88         9
                                                 2.4236       4
                                                 2.4236       4
                                                 2.4236       4
                                                 2.4676       5
                                                 2.4675       5
                                                 2.4675       5
                                                 2.8267       6
                                                 2.8266       6
                                                 2.8265       6
    2   Ca   ,Ce   ,La       2.88         7
                                                 2.518        6
                                                 2.3019       7
                                                 2.6388       4
                                                 2.4007       5
                                                 2.357        6
                                                 2.518        6
                                                 2.357        6
    3   P    ,Si             2.232        4
                                                 1.5338       4
                                                 1.5349       5
                                                 1.5366       6
                                                 1.5366       6
    4    O                   3.264        7
                                                 2.5376       5
                                                 2.5291       6
                                                 2.9284       4
                                                 2.9284       4
                                                 2.9674       6
                                                 2.5291       6
                                                 2.9674       6
    5    O                   3.264        9
                                                 2.5376       4
                                                 2.4922       6
                                                 3.0648       5
                                                 3.0648       5
                                                 2.9733       6
                                                 3.2267       6
                                                 2.4922       6
                                                 2.9733       6
                                                 3.2267       6
    6    O                   3.264        9
                                                 2.5291       4
                                                 2.4922       5
                                                 3.1331       7
                                                 2.9733       5
                                                 3.2267       5
                                                 2.9675       4
                                                 2.4595       6
                                                 3.0491       6
                                                 3.0493       6
    7    F                   3.228        6
                                                 3.1331       6
                                                 3.1331       6
                                                 3.1331       6
                                                 3.1331       6
                                                 3.1331       6
                                                 3.1331       6

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

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

    1   1   0   0  5.427  10.853   0.061  220.65    6        3.0        4.3
    2   1   0   1  8.404  16.808   0.095   90.69   12       10.4       42.0
    3   1   1   0  9.427  18.855   0.106   71.62    6       36.1      199.8
    4   2   0   0 10.903  21.805   0.123   53.01    6       31.4      112.2
    5   1   1   1 11.426  22.853   0.129   48.07   12        4.8        4.8
    6   2   0   1 12.681  25.362   0.142   38.64   12        6.3        6.6
    7   0   0   2 12.877  25.755   0.145   37.41    2      189.1      954.5
    8   1   0   2 14.011  28.021   0.157   31.29   12       41.2      227.5
    9   1   2   0 14.49   28.979   0.162   29.12    6       65.4      266.9
   10   2   1   0 14.49   28.979   0.162   29.12    6       19.1       22.7
   11   1   2   1 15.896  31.793   0.178   23.87   12      122.3     1526.9
   12   2   1   1 15.896  31.793   0.178   23.87   12       83.4      710.1
   13   1   1   2 16.056  32.113   0.18    23.36   12       77.8      605.8
   14   3   0   0 16.482  32.963   0.184   22.08    6      130.2      801.2
   15   2   0   2 16.996  33.992   0.19    20.65   12       50.7      227.2
   16   3   0   1 17.747  35.493   0.198   18.79   12       24.0       46.3
   17   2   2   0 19.123  38.246   0.213   15.95    6        6.2        1.3
   18   1   2   2 19.577  39.154   0.217   15.14   12       15.7       15.9
   19   2   1   2 19.577  39.154   0.217   15.14   12       24.9       40.1
   20   1   3   0 19.936  39.872   0.221   14.54    6       43.2       58.0
   21   3   1   0 19.936  39.872   0.221   14.54    6      106.8      355.1
   22   2   2   1 20.245  40.489   0.225   14.05   12       32.0       61.6
   23   1   0   3 20.329  40.659   0.226   13.92   12       12.1        8.7
   24   1   3   1 21.022  42.043   0.233   12.92   12       25.1       34.8
   25   3   1   1 21.022  42.043   0.233   12.92   12       30.8       52.3
   26   3   0   2 21.148  42.296   0.234   12.74   12        0.7        0.0
   27   1   1   3 21.856  43.711   0.242   11.84   12       50.3      128.2
   28   4   0   0 22.227  44.454   0.246   11.4     6       57.1       79.4
   29   2   0   3 22.588  45.175   0.249   10.99   12       37.8       67.1
   30   4   0   1 23.225  46.451   0.256   10.32   12        8.2        3.0
   31   2   2   2 23.342  46.684   0.257   10.2    12       95.6      398.6
   32   1   3   2 24.038  48.077   0.264    9.54   12       38.2       59.6
   33   3   1   2 24.038  48.077   0.264    9.54   12       60.5      149.4
   34   2   3   0 24.344  48.688   0.268    9.27    6       10.7        2.3
   35   3   2   0 24.344  48.688   0.268    9.27    6       46.1       42.2
   36   1   2   3 24.681  49.362   0.271    8.99   12      118.4      539.7
   37   2   1   3 24.681  49.362   0.271    8.99   12       75.5      219.3
   38   2   3   1 25.278  50.556   0.277    8.51   12       77.9      221.2
   39   3   2   1 25.278  50.556   0.277    8.51   12       65.7      157.3
   40   1   4   0 25.682  51.363   0.281    8.21    6       62.2       67.9
   41   4   1   0 25.682  51.363   0.281    8.21    6       87.5      134.5
   42   3   0   3 26.006  52.011   0.285    7.98   12       19.2       12.6
   43   4   0   2 26.043  52.086   0.285    7.95   12       92.6      291.8
   44   0   0   4 26.47   52.94    0.289    7.66    2      223.0      271.8
   45   1   4   1 26.581  53.163   0.29     7.59   12       23.6       18.0
   46   4   1   1 26.581  53.163   0.29     7.59   12       13.3        5.8
   47   1   0   4 27.107  54.214   0.296    7.26   12        2.0        0.1
   48   2   2   3 27.908  55.816   0.304    6.8    12        9.5        2.6
   49   2   3   2 27.944  55.888   0.304    6.78   12       46.1       61.5
   50   3   2   2 27.944  55.888   0.304    6.78   12        7.5        1.6
   51   5   0   0 28.219  56.438   0.307    6.63    6       32.0       14.5
   52   1   1   4 28.351  56.702   0.308    6.56   12        0.3        0.0
   53   1   3   3 28.523  57.046   0.31     6.47   12       31.7       27.8
   54   3   1   3 28.523  57.046   0.31     6.47   12       25.8       18.4
   55   2   0   4 28.96   57.92    0.314    6.25   12        6.5        1.1
   56   5   0   1 29.065  58.13    0.315    6.2    12       26.8       19.0
   57   1   4   2 29.164  58.329   0.316    6.15   12        6.2        1.0
   58   4   1   2 29.164  58.329   0.316    6.15   12       27.6       20.1
   59   3   3   0 29.432  58.865   0.319    6.03    6       13.6        2.4
   60   2   4   0 30.027  60.055   0.325    5.76    6       19.8        4.8
   61   4   2   0 30.027  60.055   0.325    5.76    6       78.6       76.2
   62   3   3   1 30.257  60.513   0.327    5.66   12       65.6      104.4
   63   4   0   3 30.32   60.64    0.328    5.64   12        4.2        0.4
   64   1   2   4 30.741  61.482   0.332    5.47   12       32.7       25.1
   65   2   1   4 30.741  61.482   0.332    5.47   12       41.0       39.4
   66   2   4   1 30.842  61.684   0.333    5.43   12        8.1        1.5
   67   4   2   1 30.842  61.684   0.333    5.43   12       42.9       42.7
   68   5   0   2 31.516  63.032   0.339    5.18   12       90.4      181.1
   69   1   5   0 31.772  63.544   0.342    5.08    6       44.1       21.2
   70   5   1   0 31.772  63.544   0.342    5.08    6        1.0        0.0
   71   3   0   4 31.895  63.79    0.343    5.04   12       72.7      114.1
   72   2   3   3 32.055  64.11    0.345    4.99   12       78.7      132.3
   73   3   2   3 32.055  64.11    0.345    4.99   12       30.5       19.9
   74   1   5   1 32.561  65.123   0.349    4.82   12       75.6      117.8
   75   5   1   1 32.561  65.123   0.349    4.82   12       32.1       21.3
   76   3   3   2 32.655  65.309   0.35     4.79   12       33.1       22.4
   77   1   4   3 33.184  66.368   0.355    4.63   12       30.2       18.0
   78   4   1   3 33.184  66.368   0.355    4.63   12       26.6       14.0
   79   2   4   2 33.216  66.432   0.356    4.62   12       31.6       19.7
   80   4   2   2 33.216  66.432   0.356    4.62   12       27.1       14.5
   81   2   2   4 33.585  67.169   0.359    4.51   12       12.2        2.9
   82   1   3   4 34.139  68.277   0.364    4.36   12        9.8        1.8
   83   3   1   4 34.139  68.277   0.364    4.36   12       25.6       12.3
   84   1   0   5 34.412  68.823   0.367    4.29   12        7.7        1.1
   85   6   0   0 34.57   69.14    0.368    4.25    6        9.3        0.8
   86   1   5   2 34.873  69.747   0.371    4.18   12       36.2       23.4
   87   5   1   2 34.873  69.747   0.371    4.18   12       30.3       16.5
   88   3   4   0 35.117  70.233   0.373    4.12    6       16.6        2.4
   89   4   3   0 35.117  70.233   0.373    4.12    6        0.8        0.0
   90   6   0   1 35.328  70.656   0.375    4.07   12       15.4        4.1
   91   5   0   3 35.386  70.772   0.376    4.05   12       14.4        3.6
   92   1   1   5 35.503  71.006   0.377    4.03   12        4.5        0.4
   93   4   0   4 35.776  71.551   0.379    3.97   12       43.1       31.5
   94   3   4   1 35.869  71.738   0.38     3.95   12       67.6       77.1
   95   4   3   1 35.869  71.738   0.38     3.95   12       13.2        3.0
   96   2   0   5 36.043  72.086   0.382    3.91   12        6.5        0.7
   97   2   5   0 36.199  72.397   0.383    3.88    6       58.0       27.9
   98   5   2   0 36.199  72.397   0.383    3.88    6       16.4        2.2
   99   3   3   3 36.465  72.93    0.386    3.82   12       30.5       15.2
  100   2   5   1 36.942  73.884   0.39     3.73   12       46.1       33.9
  101   5   2   1 36.942  73.884   0.39     3.73   12       44.5       31.6
  102   2   4   3 36.999  73.999   0.391    3.72   12        6.1        0.6
  103   4   2   3 36.999  73.999   0.391    3.72   12       63.3       63.7
  104   2   3   4 37.382  74.764   0.394    3.65   12        5.5        0.5
  105   3   2   4 37.382  74.764   0.394    3.65   12       24.8        9.6
  106   6   0   2 37.562  75.123   0.396    3.62   12       31.3       15.1
  107   1   2   5 37.645  75.29    0.396    3.6    12       72.4       80.9
  108   2   1   5 37.645  75.29    0.396    3.6    12       52.8       42.9
  109   3   4   2 38.091  76.181   0.4      3.53   12        8.0        1.0
  110   4   3   2 38.091  76.181   0.4      3.53   12       38.4       22.3
  111   1   6   0 38.326  76.652   0.403    3.49    6       55.3       22.9
  112   6   1   0 38.326  76.652   0.403    3.49    6       44.5       14.8
  113   1   4   4 38.439  76.878   0.404    3.47   12       45.1       30.2
  114   4   1   4 38.439  76.878   0.404    3.47   12       72.6       78.4
  115   1   5   3 38.587  77.173   0.405    3.45   12       71.4       75.2
  116   5   1   3 38.587  77.173   0.405    3.45   12       12.9        2.5
  117   3   0   5 38.7    77.399   0.406    3.43   12        9.8        1.4
  118   1   6   1 39.055  78.11    0.409    3.38   12       36.1       18.8
  119   6   1   1 39.055  78.11    0.409    3.38   12       27.0       10.5
  120   2   5   2 39.141  78.283   0.41     3.37   12       26.6       10.2
  121   5   2   2 39.141  78.283   0.41     3.37   12       75.4       82.0
  122   2   2   5 40.266  80.532   0.42     3.22   12       25.8        9.2
  123   5   0   4 40.528  81.055   0.422    3.19   12       44.7       27.2
  124   1   3   5 40.785  81.57    0.424    3.16   12       15.4        3.2
  125   3   1   5 40.785  81.57    0.424    3.16   12       23.2        7.3
  126   4   4   0 40.934  81.869   0.425    3.15    6       71.9       34.8
  127   6   0   3 41.191  82.382   0.427    3.12   12        6.8        0.6
  128   1   6   2 41.221  82.442   0.428    3.11   12       17.9        4.2
  129   6   1   2 41.221  82.442   0.428    3.11   12       36.9       18.2
  130   3   5   0 41.451  82.903   0.43     3.09    6       40.4       10.8
  131   5   3   0 41.451  82.903   0.43     3.09    6       39.4       10.3
  132   7   0   0 41.451  82.903   0.43     3.09    6        9.9        0.6
  133   3   3   4 41.562  83.125   0.431    3.08   12       18.4        4.5
  134   4   4   1 41.652  83.304   0.431    3.07   12       33.1       14.4
  135   3   4   3 41.707  83.415   0.432    3.07   12       69.9       64.1
  136   4   3   3 41.707  83.415   0.432    3.07   12        5.2        0.4
  137   0   0   6 41.959  83.918   0.434    3.04    2      133.9       38.9
  138   2   4   4 42.078  84.156   0.435    3.03   12       43.7       24.7
  139   4   2   4 42.078  84.156   0.435    3.03   12       52.0       35.1
  140   3   5   1 42.167  84.335   0.436    3.02   12       11.7        1.8
  141   5   3   1 42.167  84.335   0.436    3.02   12        9.0        1.1
  142   7   0   1 42.167  84.335   0.436    3.02   12        7.6        0.7
  143   4   0   5 42.333  84.667   0.437    3.01   12       11.0        1.6
  144   1   0   6 42.474  84.948   0.438    3.0    12       26.6        9.1
  145   2   5   3 42.737  85.474   0.441    2.97   12       44.0       24.6
  146   5   2   3 42.737  85.474   0.441    2.97   12       40.8       21.2
  147   2   6   0 42.996  85.992   0.443    2.95    6        5.7        0.2
  148   6   2   0 42.996  85.992   0.443    2.95    6       25.6        4.1
  149   1   1   6 43.501  87.002   0.447    2.92   12       64.7       52.3
  150   1   5   4 43.62   87.24    0.448    2.91   12       50.9       32.3
  151   5   1   4 43.62   87.24    0.448    2.91   12        0.1        0.0
  152   2   6   1 43.709  87.418   0.449    2.9    12        2.7        0.1
  153   6   2   1 43.709  87.418   0.449    2.9    12       21.2        5.6
  154   4   4   2 43.794  87.587   0.449    2.9    12       38.7       18.5
  155   2   3   5 43.874  87.748   0.45     2.89   12       49.7       30.6
  156   3   2   5 43.874  87.748   0.45     2.89   12       48.0       28.5
  157   2   0   6 44.014  88.028   0.451    2.88   12        9.0        1.0
  158   3   5   2 44.306  88.613   0.453    2.87   12       73.3       65.9
  159   5   3   2 44.306  88.613   0.453    2.87   12       60.2       44.5
  160   7   0   2 44.306  88.613   0.453    2.87   12       30.6       11.5
  161   1   6   3 44.789  89.578   0.457    2.84   12       15.4        2.9
  162   6   1   3 44.789  89.578   0.457    2.84   12       27.4        9.1
  163   1   4   5 44.899  89.799   0.458    2.83   12       14.9        2.7
  164   4   1   5 44.899  89.799   0.458    2.83   12        8.8        0.9


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

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

    1   1   0   1   8.404  16.808  5.27037       42.0      1.9      1.9     5.6
    2   1   1   0   9.427  18.855  4.7026       199.8      8.9      9.0     5.6
    3   2   0   0  10.903  21.805  4.07257      112.2      5.0      5.1     5.6
    4   0   0   2  12.877  25.755  3.45625      954.5     42.7     42.9     5.6
    5   1   0   2  14.011  28.021  3.18166      227.5     10.2     10.2     5.6
    6   1   2   0  14.49   28.979  3.07857      289.5     12.9     13.0     5.6
    7   1   2   1  15.896  31.793  2.81228     2237.0    100.0    100.0     5.6
    8   1   1   2  16.056  32.113  2.78497      605.8     27.1     27.1     5.6
    9   3   0   0  16.482  32.963  2.71505      801.2     35.8     35.8     5.6
   10   2   0   2  16.996  33.992  2.63519      227.2     10.2     10.1     5.7
   11   3   0   1  17.747  35.493  2.52711       46.3      2.1      2.1     5.7
   12   2   1   2  19.577  39.154  2.29886       56.0      2.5      2.5     5.7
   13   3   1   0  19.936  39.872  2.25906      413.1     18.5     18.3     5.7
   14   2   2   1  20.245  40.489  2.22604       61.6      2.8      2.7     5.7
   15   3   1   1  21.022  42.043  2.1473        87.1      3.9      3.9     5.7
   16   1   1   3  21.856  43.711  2.06914      128.2      5.7      5.7     5.7
   17   4   0   0  22.227  44.454  2.03629       79.4      3.5      3.5     5.7
   18   2   0   3  22.588  45.175  2.00544       67.1      3.0      3.0     5.7
   19   2   2   2  23.342  46.684  1.94408      398.6     17.8     17.6     5.7
   20   3   1   2  24.038  48.077  1.89096      209.0      9.3      9.2     5.7
   21   3   2   0  24.344  48.688  1.86862       44.4      2.0      2.0     5.7
   22   1   2   3  24.681  49.362  1.8447       759.0     33.9     33.3     5.7
   23   2   3   1  25.278  50.556  1.80388      378.5     16.9     16.6     5.8
   24   4   1   0  25.682  51.363  1.77742      202.3      9.0      8.9     5.8
   25   4   0   2  26.043  52.086  1.75443      291.8     13.0     12.8     5.8
   26   0   0   4  26.47   52.94   1.72812      271.8     12.1     11.9     5.8
   27   1   4   1  26.581  53.163  1.72142       23.8      1.1      1.0     5.8
   28   2   3   2  27.944  55.888  1.64376       63.2      2.8      2.8     5.8
   29   1   3   3  28.523  57.046  1.61311       46.2      2.1      2.0     5.8
   30   4   2   0  30.027  60.055  1.53929       81.0      3.6      3.5     5.8
   31   3   3   1  30.257  60.513  1.52872      104.4      4.7      4.5     5.8
   32   2   1   4  30.741  61.482  1.50694       64.5      2.9      2.8     5.8
   33   4   2   1  30.842  61.684  1.50249       44.2      2.0      1.9     5.8
   34   5   0   2  31.516  63.032  1.47355      181.1      8.1      7.8     5.9
   35   3   0   4  31.895  63.79   1.45786      114.1      5.1      4.9     5.9
   36   2   3   3  32.055  64.11   1.45135      152.1      6.8      6.5     5.9
   37   1   5   1  32.561  65.123  1.43121      139.1      6.2      6.0     5.9
   38   3   3   2  32.655  65.309  1.42757       22.4      1.0      1.0     5.9
   39   1   4   3  33.184  66.368  1.40735       32.1      1.4      1.4     5.9
   40   2   4   2  33.216  66.432  1.40614       34.2      1.5      1.5     5.9
   41   1   5   2  34.873  69.747  1.3472        39.9      1.8      1.7     5.9
   42   4   0   4  35.776  71.551  1.31759       31.5      1.4      1.3     5.9
   43   3   4   1  35.869  71.738  1.31461       80.1      3.6      3.4     5.9
   44   2   5   0  36.199  72.397  1.30427       30.2      1.3      1.3     5.9
   45   2   5   1  36.942  73.884  1.28165       65.5      2.9      2.8     6.0
   46   4   2   3  36.999  73.999  1.27995       63.7      2.8      2.7     6.0
   47   1   2   5  37.645  75.29   1.26117      123.9      5.5      5.2     6.0
   48   1   6   0  38.326  76.652  1.24212       37.7      1.7      1.6     6.0
   49   4   1   4  38.439  76.878  1.23903      108.6      4.9      4.6     6.0
   50   1   5   3  38.587  77.173  1.23502       77.7      3.5      3.3     6.0
   51   1   6   1  39.055  78.11   1.22254       29.3      1.3      1.2     6.0
   52   5   2   2  39.141  78.283  1.22027       92.2      4.1      3.9     6.0
   53   5   0   4  40.528  81.055  1.18538       27.2      1.2      1.1     6.1
   54   4   4   0  40.934  81.869  1.17565       34.8      1.6      1.4     6.1
   55   6   1   2  41.221  82.442  1.16893       22.4      1.0      0.9     6.1
   56   3   4   3  41.707  83.415  1.15775       64.4      2.9      2.7     6.1
   57   0   0   6  41.959  83.918  1.15208       38.9      1.7      1.6     6.1
   58   4   2   4  42.078  84.156  1.14943       59.8      2.7      2.5     6.1
   59   2   5   3  42.737  85.474  1.13504       45.8      2.0      1.9     6.1
   60   1   1   6  43.501  87.002  1.11899       52.3      2.3      2.1     6.1
   61   1   5   4  43.62   87.24   1.11656       32.3      1.4      1.3     6.2
   62   2   3   5  43.874  87.748  1.11139       59.1      2.6      2.4     6.2
   63   3   5   2  44.306  88.613  1.10277      121.9      5.5      5.0     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)