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

8, Sr, f-apatite

[Ca(9.53)Sr(0.4)Na(0.09)Ce(0.06)][PO(4)](3)F(2.18)


Hexagonal  P 6(3)/m  Z = 2

R =0.015          NR =1740

16 .2 .1993

Ref.Str.:

         Hugnes J.M., Cameron M., Crowley K.D. (1991)

         * Amer. Mineral., 76, 1857-1862

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   9.3802   alpha =   90.0 
             b =   9.3802   beta  =   90.0 
             c =   6.9011   gamma =  120.0 

    Unit cell volume (cub. angs.) =   525.86

    Molar volume ( cub.cm/mol.) =   158.37

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

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

   1 0.6667  0.3333  0.0009   0.85   Ca    = 0.98, Sr    = 0.02
   2 0.9915  0.2405  0.25     0.79   Ca    = 0.91, Sr    = 0.09
   3 0.3691  0.3984  0.25     0.6    P     = 1.00
   4 0.4846  0.3269  0.25     0.95   O     = 1.00
   5 0.4665  0.5877  0.25     1.13   O     = 1.00
   6 0.2574  0.3416  0.0711   1.26   O     = 1.00
   7 0.0     0.0     0.25     2.0    F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6667     0.3333     0.0009
     2       2     0.9915     0.2405     0.25  
     3       3     0.3691     0.3984     0.25  
     4       4     0.4846     0.3269     0.25  
     5       5     0.4665     0.5877     0.25  
     6       6     0.2574     0.3416     0.0711
     7       7     0.0        0.0        0.25  
     8       2     0.7595     0.751      0.25  
     9       2     0.249      0.0085     0.25  
    10       3     0.6016     0.9707     0.25  
    11       3     0.0293     0.6309     0.25  
    12       4     0.6731     0.1577     0.25  
    13       4     0.8423     0.5154     0.25  
    14       5     0.4123     0.8788     0.25  
    15       5     0.1212     0.5335     0.25  
    16       6     0.6584     0.9158     0.0711
    17       6     0.0842     0.7426     0.0711
    18       1     0.3333     0.6667     0.5009
    19       2     0.0085     0.7595     0.75  
    20       3     0.6309     0.6016     0.75  
    21       4     0.5154     0.6731     0.75  
    22       5     0.5335     0.4123     0.75  
    23       6     0.7426     0.6584     0.5711
    24       7     0.0        0.0        0.75  
    25       2     0.2405     0.249      0.75  
    26       2     0.751      0.9915     0.75  
    27       3     0.3984     0.0293     0.75  
    28       3     0.9707     0.3691     0.75  
    29       4     0.3269     0.8423     0.75  
    30       4     0.1577     0.4846     0.75  
    31       5     0.5877     0.1212     0.75  
    32       5     0.8788     0.4665     0.75  
    33       6     0.3416     0.0842     0.5711
    34       6     0.9158     0.2574     0.5711
    35       1     0.6667     0.3333     0.4991
    36       6     0.2574     0.3416     0.4289
    37       6     0.6584     0.9158     0.4289
    38       6     0.0842     0.7426     0.4289
    39       1     0.3333     0.6667     0.9991
    40       6     0.7426     0.6584     0.9289
    41       6     0.3416     0.0842     0.9289
    42       6     0.9158     0.2574     0.9289


X-ray density (g/cm cub.)   =      3.28

MU (1/cm) =     273.238    Mass attenuation coefficient (cm**2/g) =     83.336

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

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

    1   Ca   ,Sr             3.072        9
                                                 2.4028       4
                                                 2.4028       4
                                                 2.4028       4
                                                 2.4559       5
                                                 2.4558       5
                                                 2.4558       5
                                                 2.8071       6
                                                 2.8071       6
                                                 2.8069       6
    2   Ca   ,Sr             3.072        7
                                                 2.5061       6
                                                 2.2967       7
                                                 2.6837       4
                                                 2.3857       5
                                                 2.3563       6
                                                 2.5061       6
                                                 2.3563       6
    3    P                   2.232        4
                                                 1.533        4
                                                 1.538        5
                                                 1.5322       6
                                                 1.5322       6
    4    O                   3.264        7
                                                 2.5355       5
                                                 2.5257       6
                                                 2.9073       4
                                                 2.9073       4
                                                 2.973        6
                                                 2.5257       6
                                                 2.973        6
    5    O                   3.264        9
                                                 2.5355       4
                                                 2.4845       6
                                                 3.017        5
                                                 3.017        5
                                                 2.9489       6
                                                 3.2156       6
                                                 2.4845       6
                                                 2.9489       6
                                                 3.2156       6
    6    O                   3.264        9
                                                 2.5257       4
                                                 2.4845       5
                                                 3.144        7
                                                 2.9489       5
                                                 3.2156       5
                                                 2.9731       4
                                                 2.4692       6
                                                 3.0533       6
                                                 3.0535       6
    7    F                   3.228        6
                                                 3.144        6
                                                 3.144        6
                                                 3.144        6
                                                 3.144        6
                                                 3.144        6
                                                 3.144        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  5.441  10.882   0.062  219.47    6       14.5      100.2
    2   1   0   1  8.422  16.843   0.095   90.3    12       11.7       53.4
    3   1   1   0  9.453  18.906   0.107   71.22    6       13.5       28.2
    4   2   0   0 10.932  21.864   0.123   52.71    6       31.2      111.0
    5   1   1   1 11.454  22.907   0.129   47.83   12       16.9       59.5
    6   2   0   1 12.712  25.424   0.143   38.44   12       11.7       23.0
    7   0   0   2 12.899  25.798   0.145   37.27    2      155.2      649.7
    8   1   0   2 14.036  28.073   0.157   31.17   12       41.2      229.4
    9   1   2   0 14.529  29.058   0.163   28.96    6       64.5      261.8
   10   2   1   0 14.529  29.058   0.163   28.96    6       19.8       24.5
   11   1   2   1 15.937  31.874   0.178   23.74   12      109.5     1235.6
   12   2   1   1 15.937  31.874   0.178   23.74   12       73.3      552.9
   13   1   1   2 16.09   32.179   0.18    23.26   12       83.9      711.0
   14   3   0   0 16.527  33.054   0.185   21.95    6      139.3      924.1
   15   2   0   2 17.032  34.065   0.19    20.56   12       63.8      363.6
   16   3   0   1 17.793  35.586   0.198   18.69   12       25.6       53.2
   17   2   2   0 19.176  38.352   0.213   15.85    6        9.7        3.2
   18   1   2   2 19.622  39.244   0.218   15.06   12       29.3       56.1
   19   2   1   2 19.622  39.244   0.218   15.06   12       15.9       16.4
   20   1   3   0 19.992  39.983   0.222   14.45    6       48.7       74.2
   21   3   1   0 19.992  39.983   0.222   14.45    6       92.6      269.1
   22   2   2   1 20.299  40.598   0.225   13.97   12       29.8       54.0
   23   1   0   3 20.366  40.732   0.226   13.86   12        9.4        5.3
   24   1   3   1 21.078  42.156   0.233   12.84   12       23.6       31.1
   25   3   1   1 21.078  42.156   0.233   12.84   12       32.1       57.5
   26   3   0   2 21.198  42.397   0.235   12.68   12       17.4       16.7
   27   1   1   3 21.898  43.796   0.242   11.79   12       41.2       86.6
   28   4   0   0 22.289  44.579   0.246   11.32    6       34.3       28.9
   29   2   0   3 22.633  45.266   0.25    10.94   12       35.7       60.6
   30   4   0   1 23.289  46.578   0.257   10.26   12        9.1        3.7
   31   2   2   2 23.4    46.8     0.258   10.15   12      102.5      463.0
   32   1   3   2 24.099  48.197   0.265    9.49   12       45.5       85.3
   33   3   1   2 24.099  48.197   0.265    9.49   12       58.2      139.6
   34   2   3   0 24.413  48.827   0.268    9.21    6        6.2        0.8
   35   3   2   0 24.413  48.827   0.268    9.21    6       53.3       56.8
   36   1   2   3 24.734  49.468   0.272    8.95   12      104.7      425.4
   37   2   1   3 24.734  49.468   0.272    8.95   12       68.7      183.3
   38   2   3   1 25.348  50.697   0.278    8.46   12       64.6      153.3
   39   3   2   1 25.348  50.697   0.278    8.46   12       60.8      135.7
   40   1   4   0 25.755  51.51    0.282    8.16    6       74.8       99.1
   41   4   1   0 25.755  51.51    0.282    8.16    6       86.2      131.6
   42   3   0   3 26.064  52.127   0.285    7.94   12       21.8       16.3
   43   4   0   2 26.11   52.221   0.286    7.91   12       83.7      240.6
   44   0   0   4 26.517  53.035   0.29     7.63    2      220.9      269.5
   45   1   4   1 26.656  53.312   0.291    7.54   12       19.5       12.5
   46   4   1   1 26.656  53.312   0.291    7.54   12       12.8        5.4
   47   1   0   4 27.157  54.313   0.296    7.23   12       12.4        4.8
   48   2   2   3 27.973  55.947   0.304    6.76   12        7.0        1.4
   49   2   3   2 28.018  56.036   0.305    6.74   12       60.1      105.7
   50   3   2   2 28.018  56.036   0.305    6.74   12       13.2        5.1
   51   5   0   0 28.301  56.602   0.308    6.58    6       21.6        6.7
   52   1   1   4 28.406  56.812   0.309    6.53   12       14.7        6.1
   53   1   3   3 28.591  57.181   0.311    6.43   12       32.5       29.5
   54   3   1   3 28.591  57.181   0.311    6.43   12       28.6       22.9
   55   2   0   4 29.017  58.035   0.315    6.22   12        6.3        1.1
   56   5   0   1 29.148  58.296   0.316    6.16   12       29.8       23.7
   57   1   4   2 29.243  58.486   0.317    6.11   12       15.6        6.5
   58   4   1   2 29.243  58.486   0.317    6.11   12        8.8        2.1
   59   3   3   0 29.519  59.037   0.32     5.99    6       27.2        9.6
   60   2   4   0 30.116  60.231   0.326    5.72    6       18.7        4.3
   61   4   2   0 30.116  60.231   0.326    5.72    6       78.8       77.2
   62   3   3   1 30.344  60.688   0.328    5.63   12       56.9       79.2
   63   4   0   3 30.394  60.788   0.328    5.61   12        5.1        0.6
   64   1   2   4 30.805  61.611   0.332    5.44   12       31.7       23.7
   65   2   1   4 30.805  61.611   0.332    5.44   12       42.2       42.0
   66   2   4   1 30.931  61.863   0.334    5.39   12       13.5        4.3
   67   4   2   1 30.931  61.863   0.334    5.39   12       38.2       34.1
   68   5   0   2 31.603  63.206   0.34     5.14   12       91.3      186.0
   69   1   5   0 31.867  63.733   0.343    5.05    6       44.5       21.7
   70   5   1   0 31.867  63.733   0.343    5.05    6        0.0        0.0
   71   3   0   4 31.964  63.928   0.344    5.02   12       78.9      135.5
   72   2   3   3 32.136  64.273   0.345    4.96   12       68.3      100.4
   73   3   2   3 32.136  64.273   0.345    4.96   12       22.5       10.9
   74   1   5   1 32.657  65.315   0.35     4.79   12       70.2      102.6
   75   5   1   1 32.657  65.315   0.35     4.79   12       26.1       14.2
   76   3   3   2 32.746  65.492   0.351    4.76   12       38.4       30.5
   77   1   4   3 33.27   66.539   0.356    4.6    12       25.7       13.2
   78   4   1   3 33.27   66.539   0.356    4.6    12       26.9       14.5
   79   2   4   2 33.31   66.62    0.356    4.59   12       24.9       12.4
   80   4   2   2 33.31   66.62    0.356    4.59   12       18.7        7.0
   81   2   2   4 33.661  67.322   0.36     4.49   12        0.4        0.0
   82   1   3   4 34.217  68.434   0.365    4.34   12       13.6        3.5
   83   3   1   4 34.217  68.434   0.365    4.34   12       15.9        4.8
   84   1   0   5 34.478  68.955   0.367    4.27   12        7.4        1.0
   85   6   0   0 34.675  69.351   0.369    4.22    6       22.6        4.7
   86   1   5   2 34.974  69.947   0.372    4.15   12       28.8       15.0
   87   5   1   2 34.974  69.947   0.372    4.15   12       36.3       23.8
   88   3   4   0 35.224  70.448   0.374    4.09    6       26.9        6.4
   89   4   3   0 35.224  70.448   0.374    4.09    6        1.0        0.0
   90   6   0   1 35.435  70.869   0.376    4.04   12        7.5        1.0
   91   5   0   3 35.481  70.962   0.377    4.03   12       14.5        3.7
   92   1   1   5 35.574  71.147   0.378    4.01   12       13.4        3.1
   93   4   0   4 35.861  71.723   0.38     3.95   12       27.0       12.4
   94   3   4   1 35.978  71.956   0.381    3.92   12       64.4       70.6
   95   4   3   1 35.978  71.956   0.381    3.92   12       11.1        2.1
   96   2   0   5 36.116  72.233   0.383    3.89   12       12.2        2.5
   97   2   5   0 36.31   72.621   0.384    3.85    6       69.9       40.9
   98   5   2   0 36.31   72.621   0.384    3.85    6       32.9        9.0
   99   3   3   3 36.564  73.128   0.387    3.8    12       22.4        8.3
  100   2   5   1 37.055  74.111   0.391    3.71   12       41.4       27.6
  101   5   2   1 37.055  74.111   0.391    3.71   12       32.0       16.5
  102   2   4   3 37.101  74.202   0.392    3.7    12       12.5        2.5
  103   4   2   3 37.101  74.202   0.392    3.7    12       58.6       55.1
  104   2   3   4 37.475  74.949   0.395    3.63   12        8.6        1.2
  105   3   2   4 37.475  74.949   0.395    3.63   12       29.1       13.4
  106   6   0   2 37.673  75.346   0.397    3.6    12       34.7       18.8
  107   1   2   5 37.726  75.451   0.397    3.59   12       65.6       67.0
  108   2   1   5 37.726  75.451   0.397    3.59   12       44.6       31.0
  109   3   4   2 38.204  76.409   0.401    3.51   12        7.5        0.8
  110   4   3   2 38.204  76.409   0.401    3.51   12       47.7       34.7
  111   1   6   0 38.447  76.893   0.404    3.47    6       54.8       22.7
  112   6   1   0 38.447  76.893   0.404    3.47    6       45.3       15.4
  113   1   4   4 38.537  77.073   0.404    3.46   12       54.2       44.1
  114   4   1   4 38.537  77.073   0.404    3.46   12       73.4       80.8
  115   1   5   3 38.695  77.391   0.406    3.43   12       64.7       62.3
  116   5   1   3 38.695  77.391   0.406    3.43   12        9.0        1.2
  117   3   0   5 38.785  77.57    0.407    3.42   12       11.3        1.9
  118   1   6   1 39.177  78.355   0.41     3.36   12       26.6       10.4
  119   6   1   1 39.177  78.355   0.41     3.36   12       24.7        8.9
  120   2   5   2 39.26   78.52    0.411    3.35   12       31.6       14.5
  121   5   2   2 39.26   78.52    0.411    3.35   12       79.7       92.5
  122   2   2   5 40.359  80.718   0.42     3.21   12       24.8        8.6
  123   5   0   4 40.635  81.27    0.423    3.18   12       36.7       18.6
  124   1   3   5 40.88   81.76    0.425    3.15   12       15.0        3.1
  125   3   1   5 40.88   81.76    0.425    3.15   12       22.9        7.2
  126   4   4   0 41.067  82.134   0.426    3.13    6       72.5       35.7
  127   6   0   3 41.312  82.623   0.429    3.11   12        2.4        0.1
  128   1   6   2 41.349  82.698   0.429    3.1    12        7.4        0.7
  129   6   1   2 41.349  82.698   0.429    3.1    12       30.9       12.9
  130   3   5   0 41.586  83.173   0.431    3.08    6       23.0        3.5
  131   5   3   0 41.586  83.173   0.431    3.08    6       35.8        8.6
  132   7   0   0 41.586  83.173   0.431    3.08    6       14.7        1.4
  133   3   3   4 41.675  83.349   0.432    3.07   12       29.7       11.7
  134   4   4   1 41.786  83.573   0.433    3.06   12       34.3       15.6
  135   3   4   3 41.831  83.661   0.433    3.05   12       70.2       65.3
  136   4   3   3 41.831  83.661   0.433    3.05   12        2.5        0.1
  137   0   0   6 42.044  84.088   0.435    3.03    2      118.0       30.6
  138   2   4   4 42.193  84.386   0.436    3.02   12       44.5       26.0
  139   4   2   4 42.193  84.386   0.436    3.02   12       53.1       36.9
  140   3   5   1 42.304  84.609   0.437    3.01   12       13.0        2.2
  141   5   3   1 42.304  84.609   0.437    3.01   12        5.8        0.4
  142   7   0   1 42.304  84.609   0.437    3.01   12        3.7        0.2
  143   4   0   5 42.436  84.873   0.438    3.0    12       10.5        1.4
  144   1   0   6 42.562  85.123   0.439    2.99   12       26.6        9.2
  145   2   5   3 42.865  85.731   0.442    2.96   12       40.6       21.2
  146   5   2   3 42.865  85.731   0.442    2.96   12       29.3       11.1
  147   2   6   0 43.139  86.277   0.444    2.94    6        9.0        0.5
  148   6   2   0 43.139  86.277   0.444    2.94    6       26.2        4.4
  149   1   1   6 43.594  87.188   0.448    2.91   12       69.3       60.7
  150   1   5   4 43.742  87.485   0.449    2.9    12       51.8       33.8
  151   5   1   4 43.742  87.485   0.449    2.9    12        2.0        0.1
  152   2   6   1 43.853  87.707   0.45     2.89   12        2.1        0.1
  153   6   2   1 43.853  87.707   0.45     2.89   12       17.8        4.0
  154   4   4   2 43.934  87.869   0.45     2.89   12       24.7        7.6
  155   2   3   5 43.985  87.97    0.451    2.89   12       39.4       19.5
  156   3   2   5 43.985  87.97    0.451    2.89   12       46.8       27.4
  157   2   0   6 44.11   88.22    0.452    2.88   12       17.1        3.7
  158   3   5   2 44.45   88.899   0.455    2.86   12       66.2       54.3
  159   5   3   2 44.45   88.899   0.455    2.86   12       65.8       53.7
  160   7   0   2 44.45   88.899   0.455    2.86   12       35.0       15.1
  161   1   6   3 44.928  89.856   0.458    2.83   12        6.8        0.6
  162   6   1   3 44.928  89.856   0.458    2.83   12       24.6        7.4


  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   0   5.441  10.882  8.12349      100.2      5.6      5.7     5.6
    2   1   0   1   8.422  16.843  5.25946       53.4      3.0      3.0     5.6
    3   1   1   0   9.453  18.906  4.6901        28.2      1.6      1.6     5.6
    4   2   0   0  10.932  21.864  4.06175      111.0      6.2      6.3     5.6
    5   1   1   1  11.454  22.907  3.87906       59.5      3.3      3.4     5.6
    6   2   0   1  12.712  25.424  3.50045       23.0      1.3      1.3     5.6
    7   0   0   2  12.899  25.798  3.45055      649.7     36.3     36.5     5.6
    8   1   0   2  14.036  28.073  3.17592      229.4     12.8     12.9     5.6
    9   1   2   0  14.529  29.058  3.07039      286.3     16.0     16.0     5.6
   10   1   2   1  15.937  31.874  2.80527     1788.5    100.0    100.0     5.6
   11   1   1   2  16.09   32.179  2.77939      711.0     39.8     39.7     5.6
   12   3   0   0  16.527  33.054  2.70783      924.1     51.7     51.6     5.6
   13   2   0   2  17.032  34.065  2.62973      363.6     20.3     20.3     5.7
   14   3   0   1  17.793  35.586  2.52073       53.2      3.0      3.0     5.7
   15   1   2   2  19.622  39.244  2.29377       72.5      4.1      4.0     5.7
   16   3   1   0  19.992  39.983  2.25305      343.3     19.2     19.0     5.7
   17   2   2   1  20.299  40.598  2.22036       54.0      3.0      3.0     5.7
   18   3   1   1  21.078  42.156  2.1418        88.5      4.9      4.9     5.7
   19   1   1   3  21.898  43.796  2.06532       86.6      4.8      4.8     5.7
   20   4   0   0  22.289  44.579  2.03087       28.9      1.6      1.6     5.7
   21   2   0   3  22.633  45.266  2.00164       60.6      3.4      3.3     5.7
   22   2   2   2  23.4    46.8    1.93953      463.0     25.9     25.5     5.7
   23   3   1   2  24.099  48.197  1.88651      224.9     12.6     12.4     5.7
   24   3   2   0  24.413  48.827  1.86366       56.8      3.2      3.1     5.7
   25   1   2   3  24.734  49.468  1.84099      608.8     34.0     33.4     5.7
   26   2   3   1  25.348  50.697  1.79921      289.0     16.2     15.9     5.8
   27   4   1   0  25.755  51.51   1.77269      230.7     12.9     12.6     5.8
   28   4   0   2  26.11   52.221  1.75023      240.6     13.4     13.2     5.8
   29   0   0   4  26.517  53.035  1.72528      269.5     15.1     14.7     5.8
   30   2   3   2  28.018  56.036  1.63977      110.8      6.2      6.0     5.8
   31   1   3   3  28.591  57.181  1.60962       52.4      2.9      2.8     5.8
   32   5   0   1  29.148  58.296  1.58146       23.7      1.3      1.3     5.8
   33   4   2   0  30.116  60.231  1.5352        81.5      4.6      4.4     5.8
   34   3   3   1  30.344  60.688  1.52473       79.2      4.4      4.3     5.8
   35   2   1   4  30.805  61.611  1.50409       65.8      3.7      3.6     5.8
   36   4   2   1  30.931  61.863  1.49856       38.4      2.1      2.1     5.8
   37   5   0   2  31.603  63.206  1.46991      186.0     10.4     10.0     5.9
   38   1   5   0  31.867  63.733  1.45902       21.7      1.2      1.2     5.9
   39   3   0   4  31.964  63.928  1.45503      135.5      7.6      7.3     5.9
   40   2   3   3  32.136  64.273  1.44807      111.3      6.2      6.0     5.9
   41   1   5   1  32.657  65.315  1.42747      116.8      6.5      6.3     5.9
   42   3   3   2  32.746  65.492  1.42402       30.5      1.7      1.6     5.9
   43   4   1   3  33.27   66.539  1.40414       27.7      1.5      1.5     5.9
   44   2   4   2  33.31   66.62   1.40264       19.4      1.1      1.0     5.9
   45   5   1   2  34.974  69.947  1.34383       38.7      2.2      2.1     5.9
   46   3   4   1  35.978  71.956  1.31117       72.7      4.1      3.9     5.9
   47   2   5   0  36.31   72.621  1.3008        49.9      2.8      2.6     6.0
   48   2   5   1  37.055  74.111  1.27829       44.0      2.5      2.3     6.0
   49   4   2   3  37.101  74.202  1.27695       57.6      3.2      3.0     6.0
   50   6   0   2  37.673  75.346  1.26036       18.8      1.1      1.0     6.0
   51   1   2   5  37.726  75.451  1.25888       98.0      5.5      5.2     6.0
   52   4   3   2  38.204  76.409  1.24546       34.7      1.9      1.8     6.0
   53   1   6   0  38.447  76.893  1.23882       38.1      2.1      2.0     6.0
   54   4   1   4  38.537  77.073  1.23638      124.9      7.0      6.6     6.0
   55   1   5   3  38.695  77.391  1.2321        63.5      3.6      3.3     6.0
   56   1   6   1  39.177  78.355  1.21933       19.3      1.1      1.0     6.0
   57   5   2   2  39.26   78.52   1.21718      107.0      6.0      5.6     6.0
   58   5   0   4  40.635  81.27   1.18279       18.6      1.0      1.0     6.1
   59   4   4   0  41.067  82.134  1.17252       35.7      2.0      1.9     6.1
   60   3   4   3  41.831  83.661  1.15496       65.3      3.7      3.4     6.1
   61   0   0   6  42.044  84.088  1.15018       30.6      1.7      1.6     6.1
   62   4   2   4  42.193  84.386  1.14689       62.9      3.5      3.2     6.1
   63   2   5   3  42.865  85.731  1.1323        32.3      1.8      1.7     6.1
   64   1   1   6  43.594  87.188  1.11708       60.7      3.4      3.1     6.2
   65   1   5   4  43.742  87.485  1.11406       33.8      1.9      1.7     6.2
   66   3   2   5  43.985  87.97   1.10916       46.8      2.6      2.4     6.2
   67   3   5   2  44.45   88.899  1.09996      123.1      6.9      6.3     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)