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       ***
                  ***********************
FLUORAPATITE

14, t-apatite, f-apatite

Ca(5)[PO(4)](3)F


Hexagonal  P 6(3)/m  Z = 2

R =0.0196          NR =719

11 .4 .23

Ref.Str.:

         M.J. Rucks, G.J. Finkelstein, D. Zhang, P.K. Dera, T.S. Duffy (2023)

         * Amer. Mineral., 108, 731-737, doi:10.2138/am-2022-8410

         R: Locality - Durango, Mexico. The behavior of a natural

         fluorapatite crystal under compression to 61 GPa. N.A.D.

                   Initial data from BDM-file 

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

             a =   9.3988   alpha =   90.0 
             b =   9.3988   beta  =   90.0 
             c =   6.8854   gamma =  120.0 

    Unit cell volume (cub. angs.) =   526.75

    Molar volume ( cub.cm/mol.) =   158.64

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

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

   1 0.6667  0.3333  0.0011   0.0    Ca    = 1.00
   2 0.9929  0.2421  0.25     0.0    Ca    = 1.00
   3 0.369   0.3984  0.25     0.0    P     = 1.00
   4 0.4845  0.327   0.25     0.0    O     = 1.00
   5 0.4664  0.5879  0.25     0.0    O     = 1.00
   6 0.2573  0.3419  0.0703   0.0    O     = 1.00
   7 0.0     0.0     0.25     0.0    F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6667     0.3333     0.0011
     2       2     0.9929     0.2421     0.25  
     3       3     0.369      0.3984     0.25  
     4       4     0.4845     0.327      0.25  
     5       5     0.4664     0.5879     0.25  
     6       6     0.2573     0.3419     0.0703
     7       7     0.0        0.0        0.25  
     8       2     0.7579     0.7508     0.25  
     9       2     0.2492     0.0071     0.25  
    10       3     0.6016     0.9706     0.25  
    11       3     0.0294     0.631      0.25  
    12       4     0.673      0.1574     0.25  
    13       4     0.8426     0.5155     0.25  
    14       5     0.4121     0.8786     0.25  
    15       5     0.1214     0.5336     0.25  
    16       6     0.6581     0.9153     0.0703
    17       6     0.0847     0.7428     0.0703
    18       1     0.3333     0.6667     0.5011
    19       2     0.0071     0.7579     0.75  
    20       3     0.631      0.6016     0.75  
    21       4     0.5155     0.673      0.75  
    22       5     0.5336     0.4121     0.75  
    23       6     0.7427     0.6581     0.5703
    24       7     0.0        0.0        0.75  
    25       2     0.2421     0.2492     0.75  
    26       2     0.7508     0.9929     0.75  
    27       3     0.3984     0.0294     0.75  
    28       3     0.9706     0.369      0.75  
    29       4     0.327      0.8426     0.75  
    30       4     0.1574     0.4845     0.75  
    31       5     0.5879     0.1214     0.75  
    32       5     0.8786     0.4664     0.75  
    33       6     0.3419     0.0847     0.5703
    34       6     0.9153     0.2572     0.5703
    35       1     0.6667     0.3333     0.4989
    36       6     0.2573     0.3419     0.4297
    37       6     0.6581     0.9153     0.4297
    38       6     0.0847     0.7428     0.4297
    39       1     0.3333     0.6667     0.9989
    40       6     0.7427     0.6581     0.9297
    41       6     0.3419     0.0847     0.9297
    42       6     0.9153     0.2572     0.9297


X-ray density (g/cm cub.)   =      3.18

MU (1/cm) =     263.897    Mass attenuation coefficient (cm**2/g) =     83.024

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

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

    1    Ca                  2.88         9
                                                 2.4024       4
                                                 2.4024       4
                                                 2.4024       4
                                                 2.4555       5
                                                 2.4554       5
                                                 2.4554       5
                                                 2.8082       6
                                                 2.8082       6
                                                 2.808        6
    2    Ca                  2.88         7
                                                 2.5005       6
                                                 2.3092       7
                                                 2.6986       4
                                                 2.3782       5
                                                 2.3497       6
                                                 2.5005       6
                                                 2.3497       6
    3    P                   2.232        4
                                                 1.5347       4
                                                 1.5422       5
                                                 1.5357       6
                                                 1.5357       6
    4    O                   3.264        7
                                                 2.5405       5
                                                 2.5317       6
                                                 2.9162       4
                                                 2.9162       4
                                                 2.9658       6
                                                 2.5317       6
                                                 2.9658       6
    5    O                   3.264        9
                                                 2.5405       4
                                                 2.4888       6
                                                 3.0199       5
                                                 3.0199       5
                                                 2.9499       6
                                                 3.2142       6
                                                 2.4888       6
                                                 2.9499       6
                                                 3.2142       6
    6    O                   3.264        9
                                                 2.5317       4
                                                 2.4888       5
                                                 3.1519       7
                                                 2.9499       5
                                                 3.2142       5
                                                 2.9659       4
                                                 2.4741       6
                                                 3.0564       6
                                                 3.0566       6
    7    F                   3.228        6
                                                 3.1519       6
                                                 3.1519       6
                                                 3.1519       6
                                                 3.1519       6
                                                 3.1519       6
                                                 3.1519       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  5.43   10.86    0.061  220.35    6       17.8      150.1
    2   1   0   1  8.426  16.852   0.095   90.21   12       12.2       58.4
    3   1   1   0  9.434  18.868   0.106   71.52    6       12.1       22.5
    4   2   0   0 10.91   21.82    0.123   52.93    6       28.0       89.7
    5   1   1   1 11.446  22.892   0.129   47.89   12       22.2      102.2
    6   2   0   1 12.701  25.401   0.143   38.51   12       13.8       31.7
    7   0   0   2 12.929  25.858   0.145   37.09    2      149.3      596.0
    8   1   0   2 14.06   28.119   0.158   31.06   12       38.3      197.5
    9   1   2   0 14.5    29.0     0.163   29.08    6       60.8      232.7
   10   2   1   0 14.5    29.0     0.163   29.08    6       16.1       16.4
   11   1   2   1 15.916  31.833   0.178   23.81   12      105.4     1143.1
   12   2   1   1 15.916  31.833   0.178   23.81   12       69.8      501.4
   13   1   1   2 16.103  32.205   0.18    23.22   12       81.6      669.2
   14   3   0   0 16.493  32.986   0.184   22.04    6      141.4      952.4
   15   2   0   2 17.041  34.082   0.19    20.53   12       69.0      423.3
   16   3   0   1 17.767  35.534   0.198   18.75   12       28.1       63.8
   17   2   2   0 19.137  38.273   0.213   15.92    6       12.8        5.6
   18   1   2   2 19.62   39.24    0.218   15.06   12       35.4       81.5
   19   2   1   2 19.62   39.24    0.218   15.06   12       15.0       14.6
   20   1   3   0 19.95   39.901   0.221   14.52    6       49.8       77.8
   21   3   1   0 19.95   39.901   0.221   14.52    6       95.2      284.3
   22   2   2   1 20.266  40.533   0.225   14.02   12       28.9       50.6
   23   1   0   3 20.408  40.816   0.226   13.8    12        9.4        5.3
   24   1   3   1 21.044  42.087   0.233   12.89   12       24.6       33.7
   25   3   1   1 21.044  42.087   0.233   12.89   12       34.1       64.7
   26   3   0   2 21.191  42.381   0.235   12.69   12       18.8       19.4
   27   1   1   3 21.932  43.864   0.242   11.74   12       39.5       79.3
   28   4   0   0 22.243  44.486   0.246   11.38    6       29.2       21.0
   29   2   0   3 22.663  45.325   0.25    10.91   12       37.3       65.6
   30   4   0   1 23.248  46.497   0.256   10.3    12        8.8        3.5
   31   2   2   2 23.384  46.769   0.258   10.16   12      104.5      480.1
   32   1   3   2 24.081  48.161   0.265    9.51   12       50.0      102.6
   33   3   1   2 24.081  48.161   0.265    9.51   12       57.8      137.2
   34   2   3   0 24.362  48.724   0.268    9.26    6        3.0        0.2
   35   3   2   0 24.362  48.724   0.268    9.26    6       55.7       62.1
   36   1   2   3 24.754  49.508   0.272    8.93   12      104.5      421.9
   37   2   1   3 24.754  49.508   0.272    8.93   12       68.0      178.6
   38   2   3   1 25.303  50.605   0.277    8.49   12       63.4      147.7
   39   3   2   1 25.303  50.605   0.277    8.49   12       61.9      141.0
   40   1   4   0 25.7    51.401   0.281    8.2     6       79.7      112.6
   41   4   1   0 25.7    51.401   0.281    8.2     6       85.6      129.8
   42   3   0   3 26.078  52.155   0.285    7.93   12       25.1       21.6
   43   4   0   2 26.086  52.171   0.285    7.92   12       83.1      236.8
   44   0   0   4 26.583  53.165   0.29     7.59    2      229.2      287.5
   45   1   4   1 26.607  53.213   0.291    7.58   12       18.6       11.4
   46   4   1   1 26.607  53.213   0.291    7.58   12       13.1        5.6
   47   1   0   4 27.218  54.437   0.297    7.19   12       15.0        7.0
   48   2   2   3 27.979  55.959   0.305    6.76   12        4.9        0.7
   49   2   3   2 27.987  55.974   0.305    6.75   12       68.5      136.8
   50   3   2   2 27.987  55.974   0.305    6.75   12       15.3        6.9
   51   5   0   0 28.24   56.48    0.307    6.62    6       18.6        5.0
   52   1   1   4 28.461  56.922   0.309    6.5    12       18.6        9.7
   53   1   3   3 28.594  57.188   0.311    6.43   12       36.7       37.4
   54   3   1   3 28.594  57.188   0.311    6.43   12       31.4       27.4
   55   2   0   4 29.069  58.138   0.315    6.2    12        3.1        0.3
   56   5   0   1 29.092  58.184   0.316    6.19   12       34.5       31.9
   57   1   4   2 29.208  58.416   0.317    6.13   12       15.7        6.5
   58   4   1   2 29.208  58.416   0.317    6.13   12        6.1        1.0
   59   3   3   0 29.454  58.909   0.319    6.02    6       32.8       14.0
   60   2   4   0 30.05   60.1     0.325    5.75    6       14.5        2.6
   61   4   2   0 30.05   60.1     0.325    5.75    6       82.8       85.3
   62   3   3   1 30.285  60.569   0.327    5.65   12       56.8       78.9
   63   4   0   3 30.391  60.781   0.328    5.61   12        4.7        0.5
   64   1   2   4 30.848  61.697   0.333    5.43   12       29.3       20.1
   65   2   1   4 30.848  61.697   0.333    5.43   12       42.9       43.2
   66   2   4   1 30.87   61.741   0.333    5.42   12       19.1        8.6
   67   4   2   1 30.87   61.741   0.333    5.42   12       39.6       36.8
   68   5   0   2 31.561  63.121   0.34     5.16   12       96.6      208.1
   69   1   5   0 31.796  63.592   0.342    5.08    6       44.0       21.3
   70   5   1   0 31.796  63.592   0.342    5.08    6        1.8        0.0
   71   3   0   4 32.002  64.004   0.344    5.01   12       85.0      156.4
   72   2   3   3 32.126  64.252   0.345    4.96   12       70.6      107.1
   73   3   2   3 32.126  64.252   0.345    4.96   12       20.0        8.6
   74   1   5   1 32.591  65.183   0.35     4.81   12       73.3      111.8
   75   5   1   1 32.591  65.183   0.35     4.81   12       26.4       14.5
   76   3   3   2 32.7    65.4     0.351    4.78   12       36.4       27.3
   77   1   4   3 33.255  66.51    0.356    4.61   12       27.0       14.5
   78   4   1   3 33.255  66.51    0.356    4.61   12       30.4       18.4
   79   2   4   2 33.262  66.524   0.356    4.61   12       25.4       12.9
   80   4   2   2 33.262  66.524   0.356    4.61   12       17.5        6.1
   81   2   2   4 33.691  67.382   0.36     4.48   12        3.3        0.2
   82   1   3   4 34.245  68.49    0.365    4.33   12       13.1        3.2
   83   3   1   4 34.245  68.49    0.365    4.33   12       17.2        5.5
   84   1   0   5 34.563  69.125   0.368    4.25   12        8.9        1.5
   85   6   0   0 34.597  69.194   0.369    4.24    6       27.5        6.9
   86   1   5   2 34.92   69.84    0.372    4.16   12       30.2       16.4
   87   5   1   2 34.92   69.84    0.372    4.16   12       41.9       31.6
   88   3   4   0 35.144  70.288   0.374    4.11    6       30.3        8.2
   89   4   3   0 35.144  70.288   0.374    4.11    6        4.1        0.1
   90   6   0   1 35.36   70.721   0.376    4.06   12        6.2        0.7
   91   5   0   3 35.458  70.916   0.377    4.04   12       16.6        4.8
   92   1   1   5 35.653  71.307   0.378    3.99   12       19.8        6.8
   93   4   0   4 35.882  71.764   0.38     3.94   12       25.4       11.0
   94   3   4   1 35.902  71.804   0.381    3.94   12       69.5       82.4
   95   4   3   1 35.902  71.804   0.381    3.94   12       11.8        2.4
   96   2   0   5 36.193  72.387   0.383    3.88   12       16.4        4.5
   97   2   5   0 36.227  72.454   0.384    3.87    6       81.6       55.8
   98   5   2   0 36.227  72.454   0.384    3.87    6       44.0       16.2
   99   3   3   3 36.537  73.075   0.386    3.81   12       18.2        5.5
  100   2   5   1 36.976  73.952   0.39     3.72   12       44.2       31.4
  101   5   2   1 36.976  73.952   0.39     3.72   12       29.5       14.0
  102   2   4   3 37.072  74.144   0.391    3.71   12       18.4        5.5
  103   4   2   3 37.072  74.144   0.391    3.71   12       65.1       67.9
  104   2   3   4 37.489  74.977   0.395    3.63   12       12.9        2.6
  105   3   2   4 37.489  74.977   0.395    3.63   12       31.5       15.6
  106   6   0   2 37.611  75.222   0.396    3.61   12       34.5       18.6
  107   1   2   5 37.795  75.59    0.398    3.58   12       68.1       71.7
  108   2   1   5 37.795  75.59    0.398    3.58   12       45.1       31.5
  109   3   4   2 38.14   76.28    0.401    3.52   12        8.3        1.1
  110   4   3   2 38.14   76.28    0.401    3.52   12       57.5       50.3
  111   1   6   0 38.357  76.713   0.403    3.49    6       57.5       25.0
  112   6   1   0 38.357  76.713   0.403    3.49    6       46.7       16.5
  113   1   4   4 38.546  77.092   0.404    3.46   12       62.4       58.3
  114   4   1   4 38.546  77.092   0.404    3.46   12       79.3       94.0
  115   1   5   3 38.661  77.321   0.406    3.44   12       69.2       71.3
  116   5   1   3 38.661  77.321   0.406    3.44   12        6.7        0.7
  117   3   0   5 38.85   77.7     0.407    3.41   12       14.3        3.0
  118   1   6   1 39.091  78.183   0.409    3.38   12       25.4        9.4
  119   6   1   1 39.091  78.183   0.409    3.38   12       27.0       10.6
  120   2   5   2 39.192  78.384   0.41     3.36   12       34.6       17.4
  121   5   2   2 39.192  78.384   0.41     3.36   12       87.7      111.8
  122   2   2   5 40.417  80.833   0.421    3.2    12       27.0       10.1
  123   5   0   4 40.636  81.272   0.423    3.18   12       38.7       20.6
  124   1   3   5 40.936  81.871   0.425    3.15   12       19.6        5.2
  125   3   1   5 40.936  81.871   0.425    3.15   12       25.9        9.1
  126   4   4   0 40.968  81.937   0.426    3.14    6       78.1       41.4
  127   6   0   3 41.267  82.535   0.428    3.11   12        5.8        0.4
  128   1   6   2 41.274  82.548   0.428    3.11   12        3.1        0.1
  129   6   1   2 41.274  82.548   0.428    3.11   12       33.0       14.6
  130   3   5   0 41.486  82.972   0.43     3.09    6       21.5        3.1
  131   5   3   0 41.486  82.972   0.43     3.09    6       43.1       12.4
  132   7   0   0 41.486  82.972   0.43     3.09    6       15.4        1.6
  133   3   3   4 41.672  83.344   0.432    3.07   12       38.8       20.0
  134   4   4   1 41.691  83.383   0.432    3.07   12       40.9       22.2
  135   3   4   3 41.784  83.568   0.433    3.06   12       80.3       85.4
  136   4   3   3 41.784  83.568   0.433    3.06   12        1.7        0.0
  137   0   0   6 42.162  84.324   0.436    3.02    2      134.0       39.1
  138   2   4   4 42.188  84.376   0.436    3.02   12       47.7       29.8
  139   4   2   4 42.188  84.376   0.436    3.02   12       58.2       44.2
  140   3   5   1 42.207  84.415   0.436    3.02   12       14.4        2.7
  141   5   3   1 42.207  84.415   0.436    3.02   12        4.4        0.2
  142   7   0   1 42.207  84.415   0.436    3.02   12        3.5        0.2
  143   4   0   5 42.485  84.971   0.438    3.0    12       10.9        1.5
  144   1   0   6 42.677  85.354   0.44     2.98   12       29.6       11.3
  145   2   5   3 42.815  85.63    0.441    2.97   12       45.3       26.4
  146   5   2   3 42.815  85.63    0.441    2.97   12       28.0       10.1
  147   2   6   0 43.032  86.065   0.443    2.95    6       10.5        0.7
  148   6   2   0 43.032  86.065   0.443    2.95    6       25.1        4.0
  149   1   1   6 43.706  87.411   0.449    2.9    12       77.6       75.5
  150   1   5   4 43.731  87.463   0.449    2.9    12       57.2       41.0
  151   5   1   4 43.731  87.463   0.449    2.9    12        0.5        0.0
  152   2   6   1 43.751  87.501   0.449    2.9    12        0.3        0.0
  153   6   2   1 43.751  87.501   0.449    2.9    12       17.3        3.8
  154   4   4   2 43.85   87.699   0.45     2.89   12       26.5        8.8
  155   2   3   5 44.028  88.056   0.451    2.88   12       41.4       21.4
  156   3   2   5 44.028  88.056   0.451    2.88   12       53.5       35.7
  157   2   0   6 44.219  88.438   0.453    2.87   12       22.6        6.4
  158   3   5   2 44.363  88.726   0.454    2.86   12       74.3       68.4
  159   5   3   2 44.363  88.726   0.454    2.86   12       78.4       76.0
  160   7   0   2 44.363  88.726   0.454    2.86   12       44.8       24.8
  161   1   6   3 44.87   89.739   0.458    2.83   12        2.1        0.1
  162   6   1   3 44.87   89.739   0.458    2.83   12       28.7       10.1


  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   5.43   10.86   8.1396       150.1      9.1      9.3     5.6
    2   1   0   1   8.426  16.852  5.25684       58.4      3.6      3.6     5.6
    3   1   1   0   9.434  18.868  4.6994        22.5      1.4      1.4     5.6
    4   2   0   0  10.91   21.82   4.0698        89.7      5.5      5.5     5.6
    5   1   1   1  11.446  22.892  3.88151      102.2      6.2      6.3     5.6
    6   2   0   1  12.701  25.401  3.50354       31.7      1.9      1.9     5.6
    7   0   0   2  12.929  25.858  3.4427       596.0     36.2     36.4     5.6
    8   1   0   2  14.06   28.119  3.17075      197.5     12.0     12.0     5.6
    9   1   2   0  14.5    29.0    3.07648      249.1     15.1     15.2     5.6
   10   1   2   1  15.916  31.833  2.80885     1644.5    100.0    100.0     5.6
   11   1   1   2  16.103  32.205  2.7772       669.2     40.7     40.7     5.6
   12   3   0   0  16.493  32.986  2.7132       952.4     57.9     57.9     5.6
   13   2   0   2  17.041  34.082  2.62842      423.3     25.7     25.7     5.7
   14   3   0   1  17.767  35.534  2.52429       63.8      3.9      3.9     5.7
   15   1   2   2  19.62   39.24   2.29399       96.1      5.8      5.8     5.7
   16   3   1   0  19.95   39.901  2.25752      362.1     22.0     21.9     5.7
   17   2   2   1  20.266  40.533  2.22378       50.6      3.1      3.1     5.7
   18   3   1   1  21.044  42.087  2.14516       98.4      6.0      5.9     5.7
   19   3   0   2  21.191  42.381  2.13096       19.4      1.2      1.2     5.7
   20   1   1   3  21.932  43.864  2.06232       79.3      4.8      4.8     5.7
   21   4   0   0  22.243  44.486  2.0349        21.0      1.3      1.3     5.7
   22   2   0   3  22.663  45.325  1.99915       65.6      4.0      3.9     5.7
   23   2   2   2  23.384  46.769  1.94076      480.1     29.2     28.8     5.7
   24   3   1   2  24.081  48.161  1.88783      239.9     14.6     14.3     5.7
   25   3   2   0  24.362  48.724  1.86735       62.1      3.8      3.7     5.7
   26   1   2   3  24.754  49.508  1.83961      600.5     36.5     35.9     5.7
   27   2   3   1  25.303  50.605  1.80225      288.6     17.6     17.2     5.8
   28   4   1   0  25.7    51.401  1.77621      242.4     14.7     14.4     5.8
   29   4   0   2  26.086  52.171  1.75177      258.4     15.7     15.4     5.8
   30   0   0   4  26.583  53.165  1.72135      304.4     18.5     18.1     5.8
   31   2   3   2  27.987  55.974  1.64144      143.7      8.7      8.5     5.8
   32   1   3   3  28.594  57.188  1.60944       64.8      3.9      3.8     5.8
   33   5   0   1  29.092  58.184  1.58424       31.9      1.9      1.9     5.8
   34   4   2   0  30.05   60.1    1.53824       88.0      5.3      5.2     5.8
   35   3   3   1  30.285  60.569  1.52744       78.9      4.8      4.6     5.8
   36   4   2   1  30.87   61.741  1.50123      108.6      6.6      6.4     5.8
   37   5   0   2  31.561  63.121  1.47168      208.1     12.7     12.2     5.9
   38   1   5   0  31.796  63.592  1.46192       21.3      1.3      1.2     5.9
   39   3   0   4  32.002  64.004  1.4535       156.4      9.5      9.2     5.9
   40   2   3   3  32.126  64.252  1.44849      115.7      7.0      6.8     5.9
   41   1   5   1  32.591  65.183  1.43004      126.3      7.7      7.4     5.9
   42   3   3   2  32.7    65.4    1.42581       27.3      1.7      1.6     5.9
   43   4   1   3  33.255  66.51   1.40469       51.9      3.2      3.0     5.9
   44   5   1   2  34.92   69.84   1.34562       48.0      2.9      2.8     5.9
   45   3   4   1  35.902  71.804  1.31357       95.8      5.8      5.5     5.9
   46   2   5   0  36.227  72.454  1.30338       72.0      4.4      4.2     5.9
   47   2   5   1  36.976  73.952  1.28064       45.4      2.8      2.6     6.0
   48   4   2   3  37.072  74.144  1.27779       73.3      4.5      4.2     6.0
   49   3   2   4  37.489  74.977  1.26565       18.2      1.1      1.0     6.0
   50   6   0   2  37.611  75.222  1.26214       18.6      1.1      1.1     6.0
   51   1   2   5  37.795  75.59   1.25691      103.2      6.3      5.9     6.0
   52   4   3   2  38.14   76.28   1.24724       51.3      3.1      2.9     6.0
   53   1   6   0  38.357  76.713  1.24128       41.4      2.5      2.4     6.0
   54   4   1   4  38.546  77.092  1.23612      152.2      9.3      8.7     6.0
   55   1   5   3  38.661  77.321  1.23303       71.9      4.4      4.1     6.0
   56   6   1   1  39.091  78.183  1.22159       20.0      1.2      1.1     6.0
   57   5   2   2  39.192  78.384  1.21895      129.2      7.9      7.4     6.0
   58   5   0   4  40.636  81.272  1.18276       20.6      1.3      1.2     6.1
   59   4   4   0  40.968  81.937  1.17485       41.4      2.5      2.3     6.1
   60   5   3   0  41.486  82.972  1.1628        17.1      1.0      1.0     6.1
   61   4   4   1  41.691  83.383  1.15811       42.2      2.6      2.4     6.1
   62   3   4   3  41.784  83.568  1.15601       85.4      5.2      4.8     6.1
   63   4   2   4  42.188  84.376  1.14699      116.2      7.1      6.5     6.1
   64   2   5   3  42.815  85.63   1.13337       36.5      2.2      2.0     6.1
   65   1   1   6  43.706  87.411  1.11481      116.5      7.1      6.5     6.2
   66   3   2   5  44.028  88.056  1.1083        57.1      3.5      3.2     6.2
   67   5   3   2  44.363  88.726  1.10166      169.2     10.3      9.4     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)