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

15, t-apatite, at 0.54 GPa, f-apatite, DF

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


Hexagonal  P 6(3)/m  Z = 2

R =0.0365          NR =481

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 =   9.3768   alpha =   90.0 
             b =   9.3768   beta  =   90.0 
             c =   6.8755   gamma =  120.0 

    Unit cell volume (cub. angs.) =   523.53

    Molar volume ( cub.cm/mol.) =   157.67

  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 0.9922  0.2418  0.25     0.0    Ca    = 1.00
   3 0.369   0.3985  0.25     0.0    P     = 1.00
   4 0.4843  0.326   0.25     0.0    O     = 1.00
   5 0.4672  0.5882  0.25     0.0    O     = 1.00
   6 0.2569  0.3417  0.0705   0.0    O     = 1.00
   7 0.0     0.0     0.269    0.0    F     = 0.5 , F     = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6667     0.3333     0.0011
     2       2     0.9922     0.2418     0.25  
     3       3     0.369      0.3985     0.25  
     4       4     0.4843     0.326      0.25  
     5       5     0.4672     0.5882     0.25  
     6       6     0.2569     0.3417     0.0705
     7       7     0.0        0.0        0.269 
     8       2     0.7582     0.7503     0.25  
     9       2     0.2497     0.0078     0.25  
    10       3     0.6015     0.9705     0.25  
    11       3     0.0295     0.631      0.25  
    12       4     0.674      0.1583     0.25  
    13       4     0.8417     0.5157     0.25  
    14       5     0.4118     0.879      0.25  
    15       5     0.121      0.5328     0.25  
    16       6     0.6583     0.9152     0.0705
    17       6     0.0848     0.7431     0.0705
    18       1     0.3333     0.6667     0.5011
    19       2     0.0078     0.7582     0.75  
    20       3     0.631      0.6015     0.75  
    21       4     0.5157     0.674      0.75  
    22       5     0.5328     0.4118     0.75  
    23       6     0.7431     0.6583     0.5705
    24       7     0.0        0.0        0.769 
    25       2     0.2418     0.2497     0.75  
    26       2     0.7503     0.9922     0.75  
    27       3     0.3985     0.0295     0.75  
    28       3     0.9705     0.369      0.75  
    29       4     0.326      0.8417     0.75  
    30       4     0.1583     0.4843     0.75  
    31       5     0.5882     0.121      0.75  
    32       5     0.879      0.4672     0.75  
    33       6     0.3417     0.0848     0.5705
    34       6     0.9152     0.2569     0.5705
    35       1     0.6667     0.3333     0.4989
    36       6     0.2569     0.3417     0.4295
    37       7     0.0        0.0        0.231 
    38       6     0.6583     0.9152     0.4295
    39       6     0.0848     0.7431     0.4295
    40       1     0.3333     0.6667     0.9989
    41       6     0.7431     0.6583     0.9295
    42       7     0.0        0.0        0.731 
    43       6     0.3417     0.0848     0.9295
    44       6     0.9152     0.2569     0.9295


X-ray density (g/cm cub.)   =      3.2 

MU (1/cm) =     265.518    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
                                                 2.3958       4
                                                 2.3958       4
                                                 2.3958       4
                                                 2.4538       5
                                                 2.4537       5
                                                 2.4537       5
                                                 2.8031       6
                                                 2.8031       6
                                                 2.8029       6
    2    Ca                  2.88         8
                                                 2.4973       6
                                                 2.3089       7
                                                 2.6792       4
                                                 2.3679       5
                                                 2.345        6
                                                 2.4973       6
                                                 2.3089       7
                                                 2.345        6
    3    P                   2.232        4
                                                 1.5377       4
                                                 1.541        5
                                                 1.5337       6
                                                 1.5337       6
    4    O                   3.264        7
                                                 2.5426       5
                                                 2.5309       6
                                                 2.9042       4
                                                 2.9042       4
                                                 2.9554       6
                                                 2.5309       6
                                                 2.9554       6
    5    O                   3.264        9
                                                 2.5426       4
                                                 2.4892       6
                                                 3.0201       5
                                                 3.0201       5
                                                 2.9395       6
                                                 3.2063       6
                                                 2.4892       6
                                                 2.9395       6
                                                 3.2063       6
    6    O                   3.264       10
                                                 2.5309       4
                                                 2.4892       5
                                                 3.1958       7
                                                 2.9395       5
                                                 3.2063       5
                                                 2.9555       4
                                                 2.4683       6
                                                 3.0933       7
                                                 3.0479       6
                                                 3.0481       6
    7   F    ,F              3.228        8
                                                 3.1958       6
                                                 3.1958       6
                                                 3.1959       6
                                                 3.0933       6
                                                 0.2613       7
                                                 3.0932       6
                                                 3.0933       6
                                                 3.1765       7

  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  5.443  10.886   0.062  219.31    6       17.7      150.0
    2   1   0   1  8.441  16.883   0.095   89.87   12       12.0       56.4
    3   1   1   0  9.456  18.913   0.107   71.17    6       12.1       22.9
    4   2   0   0 10.936  21.872   0.123   52.67    6       28.3       92.6
    5   1   1   1 11.47   22.94    0.129   47.69   12       21.9      100.5
    6   2   0   1 12.728  25.456   0.143   38.34   12       13.3       29.8
    7   0   0   2 12.948  25.896   0.145   36.98    2      148.9      598.4
    8   1   0   2 14.082  28.165   0.158   30.95   12       37.8      194.1
    9   1   2   0 14.535  29.069   0.163   28.93    6       60.7      233.3
   10   2   1   0 14.535  29.069   0.163   28.93    6       15.8       15.8
   11   1   2   1 15.952  31.904   0.178   23.69   12      105.3     1151.1
   12   2   1   1 15.952  31.904   0.178   23.69   12       69.0      493.4
   13   1   1   2 16.132  32.263   0.18    23.13   12       82.1      683.0
   14   3   0   0 16.533  33.066   0.185   21.93    6      141.1      955.8
   15   2   0   2 17.073  34.146   0.191   20.45   12       68.4      419.2
   16   3   0   1 17.808  35.616   0.199   18.65   12       28.0       64.1
   17   2   2   0 19.183  38.366   0.213   15.83    6       13.2        6.0
   18   1   2   2 19.66   39.32    0.218   15.0    12       35.0       80.3
   19   2   1   2 19.66   39.32    0.218   15.0    12       14.8       14.3
   20   1   3   0 19.999  39.998   0.222   14.44    6       50.8       81.7
   21   3   1   0 19.999  39.998   0.222   14.44    6       95.6      288.9
   22   2   2   1 20.314  40.628   0.225   13.94   12       28.8       50.6
   23   1   0   3 20.44   40.88    0.227   13.75   12        9.6        5.6
   24   1   3   1 21.093  42.187   0.234   12.82   12       24.8       34.6
   25   3   1   1 21.093  42.187   0.234   12.82   12       34.1       65.2
   26   3   0   2 21.235  42.47    0.235   12.63   12       18.9       19.8
   27   1   1   3 21.969  43.938   0.243   11.7    12       39.6       80.4
   28   4   0   0 22.298  44.596   0.246   11.31    6       29.6       21.8
   29   2   0   3 22.702  45.405   0.251   10.86   12       37.8       67.9
   30   4   0   1 23.304  46.609   0.257   10.24   12        9.1        3.7
   31   2   2   2 23.435  46.871   0.258   10.11   12      104.7      485.1
   32   1   3   2 24.134  48.268   0.265    9.46   12       48.5       97.5
   33   3   1   2 24.134  48.268   0.265    9.46   12       57.8      138.2
   34   2   3   0 24.423  48.846   0.268    9.21    6        3.3        0.2
   35   3   2   0 24.423  48.846   0.268    9.21    6       55.0       60.9
   36   1   2   3 24.8    49.601   0.272    8.89   12      104.8      427.1
   37   2   1   3 24.8    49.601   0.272    8.89   12       67.3      176.6
   38   2   3   1 25.365  50.729   0.278    8.45   12       64.0      151.3
   39   3   2   1 25.365  50.729   0.278    8.45   12       61.5      140.1
   40   1   4   0 25.765  51.53    0.282    8.15    6       78.5      109.9
   41   4   1   0 25.765  51.53    0.282    8.15    6       86.3      132.8
   42   3   0   3 26.129  52.257   0.286    7.9    12       24.9       21.5
   43   4   0   2 26.145  52.29    0.286    7.88   12       83.0      237.6
   44   0   0   4 26.624  53.248   0.291    7.56    2      227.6      286.0
   45   1   4   1 26.672  53.345   0.291    7.53   12       18.8       11.7
   46   4   1   1 26.672  53.345   0.291    7.53   12       12.9        5.5
   47   1   0   4 27.262  54.524   0.297    7.17   12       16.2        8.3
   48   2   2   3 28.037  56.073   0.305    6.73   12        5.0        0.7
   49   2   3   2 28.052  56.104   0.305    6.72   12       68.0      135.9
   50   3   2   2 28.052  56.104   0.305    6.72   12       15.3        6.9
   51   5   0   0 28.312  56.625   0.308    6.58    6       18.2        4.7
   52   1   1   4 28.509  57.018   0.31     6.48   12       17.5        8.7
   53   1   3   3 28.653  57.307   0.311    6.4    12       36.5       37.3
   54   3   1   3 28.653  57.307   0.311    6.4    12       31.4       27.6
   55   2   0   4 29.119  58.239   0.316    6.17   12        4.2        0.5
   56   5   0   1 29.165  58.331   0.316    6.15   12       33.7       30.6
   57   1   4   2 29.277  58.554   0.317    6.1    12       16.8        7.5
   58   4   1   2 29.277  58.554   0.317    6.1    12        6.3        1.1
   59   3   3   0 29.53   59.061   0.32     5.98    6       32.7       14.0
   60   2   4   0 30.128  60.255   0.326    5.72    6       14.6        2.7
   61   4   2   0 30.128  60.255   0.326    5.72    6       82.8       85.8
   62   3   3   1 30.362  60.723   0.328    5.62   12       56.8       79.3
   63   4   0   3 30.456  60.912   0.329    5.58   12        5.2        0.6
   64   1   2   4 30.905  61.81    0.333    5.4    12       30.2       21.6
   65   2   1   4 30.905  61.81    0.333    5.4    12       43.6       45.0
   66   2   4   1 30.949  61.899   0.334    5.39   12       18.8        8.3
   67   4   2   1 30.949  61.899   0.334    5.39   12       41.3       40.3
   68   5   0   2 31.637  63.275   0.34     5.13   12       95.7      205.6
   69   1   5   0 31.879  63.759   0.343    5.05    6       44.2       21.6
   70   5   1   0 31.879  63.759   0.343    5.05    6        1.5        0.0
   71   3   0   4 32.063  64.125   0.345    4.98   12       83.9      153.8
   72   2   3   3 32.197  64.395   0.346    4.94   12       71.1      109.4
   73   3   2   3 32.197  64.395   0.346    4.94   12       19.9        8.6
   74   1   5   1 32.676  65.352   0.35     4.78   12       72.8      110.9
   75   5   1   1 32.676  65.352   0.35     4.78   12       26.0       14.1
   76   3   3   2 32.781  65.561   0.351    4.75   12       36.5       27.8
   77   1   4   3 33.33   66.661   0.357    4.59   12       27.5       15.1
   78   4   1   3 33.33   66.661   0.357    4.59   12       30.3       18.5
   79   2   4   2 33.344  66.689   0.357    4.58   12       25.3       12.9
   80   4   2   2 33.344  66.689   0.357    4.58   12       17.7        6.3
   81   2   2   4 33.758  67.517   0.361    4.46   12        2.4        0.1
   82   1   3   4 34.314  68.628   0.366    4.32   12       14.8        4.1
   83   3   1   4 34.314  68.628   0.366    4.32   12       16.4        5.1
   84   1   0   5 34.62   69.241   0.369    4.24   12        8.7        1.4
   85   6   0   0 34.69   69.38    0.369    4.22    6       27.3        6.9
   86   1   5   2 35.009  70.017   0.372    4.14   12       30.8       17.3
   87   5   1   2 35.009  70.017   0.372    4.14   12       41.8       31.7
   88   3   4   0 35.239  70.477   0.375    4.09    6       29.5        7.8
   89   4   3   0 35.239  70.477   0.375    4.09    6        3.6        0.1
   90   6   0   1 35.454  70.909   0.377    4.04   12        6.9        0.9
   91   5   0   3 35.542  71.083   0.377    4.02   12       17.1        5.2
   92   1   1   5 35.715  71.431   0.379    3.98   12       19.5        6.6
   93   4   0   4 35.957  71.915   0.381    3.93   12       24.6       10.4
   94   3   4   1 35.998  71.997   0.382    3.92   12       69.6       83.2
   95   4   3   1 35.998  71.997   0.382    3.92   12       12.1        2.5
   96   2   0   5 36.258  72.515   0.384    3.87   12       16.0        4.3
   97   2   5   0 36.326  72.651   0.385    3.85    6       82.1       56.8
   98   5   2   0 36.326  72.651   0.385    3.85    6       43.8       16.2
   99   3   3   3 36.625  73.249   0.387    3.79   12       18.0        5.4
  100   2   5   1 37.076  74.152   0.391    3.71   12       43.7       31.0
  101   5   2   1 37.076  74.152   0.391    3.71   12       29.5       14.1
  102   2   4   3 37.162  74.323   0.392    3.69   12       18.1        5.3
  103   4   2   3 37.162  74.323   0.392    3.69   12       66.5       71.4
  104   2   3   4 37.57   75.141   0.396    3.62   12       12.0        2.3
  105   3   2   4 37.57   75.141   0.396    3.62   12       32.0       16.2
  106   6   0   2 37.709  75.418   0.397    3.59   12       34.8       19.1
  107   1   2   5 37.866  75.731   0.398    3.57   12       68.0       72.3
  108   2   1   5 37.866  75.731   0.398    3.57   12       44.7       31.2
  109   3   4   2 38.241  76.481   0.402    3.5    12        8.8        1.2
  110   4   3   2 38.241  76.481   0.402    3.5    12       56.5       49.1
  111   1   6   0 38.463  76.926   0.404    3.47    6       56.8       24.5
  112   6   1   0 38.463  76.926   0.404    3.47    6       46.5       16.5
  113   1   4   4 38.632  77.264   0.405    3.44   12       60.8       55.7
  114   4   1   4 38.632  77.264   0.405    3.44   12       78.9       93.8
  115   1   5   3 38.756  77.513   0.406    3.43   12       68.9       71.2
  116   5   1   3 38.756  77.513   0.406    3.43   12        6.1        0.6
  117   3   0   5 38.925  77.85    0.408    3.4    12       14.3        3.0
  118   1   6   1 39.199  78.398   0.41     3.36   12       25.6        9.7
  119   6   1   1 39.199  78.398   0.41     3.36   12       26.4       10.3
  120   2   5   2 39.297  78.593   0.411    3.35   12       34.6       17.5
  121   5   2   2 39.297  78.593   0.411    3.35   12       87.7      112.8
  122   2   2   5 40.498  80.997   0.422    3.19   12       26.8       10.1
  123   5   0   4 40.731  81.461   0.424    3.17   12       37.5       19.5
  124   1   3   5 41.02   82.039   0.426    3.14   12       19.6        5.3
  125   3   1   5 41.02   82.039   0.426    3.14   12       25.9        9.2
  126   4   4   0 41.085  82.17    0.427    3.13    6       77.4       41.0
  127   6   0   3 41.374  82.747   0.429    3.1    12        4.8        0.3
  128   1   6   2 41.387  82.773   0.429    3.1    12        3.0        0.1
  129   6   1   2 41.387  82.773   0.429    3.1    12       32.8       14.6
  130   3   5   0 41.605  83.21    0.431    3.08    6       22.8        3.5
  131   5   3   0 41.605  83.21    0.431    3.08    6       42.5       12.2
  132   7   0   0 41.605  83.21    0.431    3.08    6       15.5        1.6
  133   3   3   4 41.771  83.541   0.432    3.06   12       38.0       19.4
  134   4   4   1 41.81   83.62    0.433    3.06   12       41.1       22.6
  135   3   4   3 41.893  83.785   0.433    3.05   12       80.3       86.0
  136   4   3   3 41.893  83.785   0.433    3.05   12        2.3        0.1
  137   0   0   6 42.237  84.473   0.436    3.02    2      132.2       38.5
  138   2   4   4 42.289  84.578   0.437    3.01   12       48.4       30.9
  139   4   2   4 42.289  84.578   0.437    3.01   12       58.8       45.6
  140   3   5   1 42.328  84.656   0.437    3.01   12       13.9        2.6
  141   5   3   1 42.328  84.656   0.437    3.01   12        4.8        0.3
  142   7   0   1 42.328  84.656   0.437    3.01   12        4.5        0.3
  143   4   0   5 42.576  85.152   0.439    2.99   12       10.9        1.6
  144   1   0   6 42.754  85.508   0.441    2.97   12       27.9       10.1
  145   2   5   3 42.928  85.856   0.442    2.96   12       44.8       26.0
  146   5   2   3 42.928  85.856   0.442    2.96   12       28.1       10.2
  147   2   6   0 43.158  86.316   0.444    2.94    6       10.5        0.7
  148   6   2   0 43.158  86.316   0.444    2.94    6       24.9        4.0
  149   1   1   6 43.787  87.574   0.449    2.9    12       79.2       79.6
  150   1   5   4 43.839  87.678   0.45     2.89   12       58.2       43.0
  151   5   1   4 43.839  87.678   0.45     2.89   12        1.1        0.0
  152   2   6   1 43.878  87.756   0.45     2.89   12        0.4        0.0
  153   6   2   1 43.878  87.756   0.45     2.89   12       17.3        3.8
  154   4   4   2 43.974  87.947   0.451    2.89   12       25.7        8.4
  155   2   3   5 44.125  88.251   0.452    2.88   12       41.8       22.0
  156   3   2   5 44.125  88.251   0.452    2.88   12       53.1       35.5
  157   2   0   6 44.303  88.606   0.453    2.87   12       20.8        5.4
  158   3   5   2 44.489  88.979   0.455    2.86   12       75.2       70.6
  159   5   3   2 44.489  88.979   0.455    2.86   12       77.1       74.4
  160   7   0   2 44.489  88.979   0.455    2.86   12       44.4       24.6
  161   1   6   3 44.992  89.984   0.459    2.83   12        2.5        0.1
  162   6   1   3 44.992  89.984   0.459    2.83   12       28.3        9.9


  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   0   5.443  10.886  8.12055      150.0      9.1      9.3     5.6
    2   1   0   1   8.441  16.883  5.2473        56.4      3.4      3.5     5.6
    3   1   1   0   9.456  18.913  4.6884        22.9      1.4      1.4     5.6
    4   2   0   0  10.936  21.872  4.06027       92.6      5.6      5.7     5.6
    5   1   1   1  11.47   22.94   3.87354      100.5      6.1      6.2     5.6
    6   2   0   1  12.728  25.456  3.49616       29.8      1.8      1.8     5.6
    7   0   0   2  12.948  25.896  3.43775      598.4     36.4     36.6     5.6
    8   1   0   2  14.082  28.165  3.16576      194.1     11.8     11.8     5.6
    9   1   2   0  14.535  29.069  3.06928      249.1     15.1     15.2     5.6
   10   1   2   1  15.952  31.904  2.8027      1644.5    100.0    100.0     5.6
   11   1   1   2  16.132  32.263  2.77233      683.0     41.5     41.5     5.6
   12   3   0   0  16.533  33.066  2.70685      955.8     58.1     58.1     5.6
   13   2   0   2  17.073  34.146  2.62365      419.2     25.5     25.4     5.7
   14   3   0   1  17.808  35.616  2.51868       64.1      3.9      3.9     5.7
   15   1   2   2  19.66   39.32   2.28954       94.7      5.8      5.7     5.7
   16   3   1   0  19.999  39.998  2.25223      370.6     22.5     22.4     5.7
   17   2   2   1  20.314  40.628  2.21878       50.6      3.1      3.0     5.7
   18   3   1   1  21.093  42.187  2.14033       99.8      6.1      6.0     5.7
   19   3   0   2  21.235  42.47   2.12671       19.8      1.2      1.2     5.7
   20   1   1   3  21.969  43.938  2.05899       80.4      4.9      4.8     5.7
   21   4   0   0  22.298  44.596  2.03014       21.8      1.3      1.3     5.7
   22   2   0   3  22.702  45.405  1.99584       67.9      4.1      4.1     5.7
   23   2   2   2  23.435  46.871  1.93677      485.1     29.5     29.1     5.7
   24   3   1   2  24.134  48.268  1.88393      235.7     14.3     14.1     5.7
   25   3   2   0  24.423  48.846  1.86298       60.9      3.7      3.6     5.7
   26   1   2   3  24.8    49.601  1.83637      603.7     36.7     36.1     5.7
   27   2   3   1  25.365  50.729  1.79814      291.4     17.7     17.4     5.8
   28   4   1   0  25.765  51.53   1.77205      242.7     14.8     14.5     5.8
   29   4   0   2  26.145  52.29   1.74808      259.1     15.8     15.4     5.8
   30   0   0   4  26.624  53.248  1.71888      286.0     17.4     17.0     5.8
   31   1   4   1  26.672  53.345  1.71597       17.2      1.0      1.0     5.8
   32   2   3   2  28.052  56.104  1.63793      142.7      8.7      8.5     5.8
   33   1   3   3  28.653  57.307  1.60639       64.9      3.9      3.8     5.8
   34   5   0   1  29.165  58.331  1.58061       30.6      1.9      1.8     5.8
   35   4   2   0  30.128  60.255  1.53464       88.5      5.4      5.2     5.8
   36   3   3   1  30.362  60.723  1.52393       79.3      4.8      4.7     5.8
   37   2   1   4  30.905  61.81   1.49971       66.6      4.1      3.9     5.8
   38   4   2   1  30.949  61.899  1.49778       48.6      3.0      2.9     5.8
   39   5   0   2  31.637  63.275  1.46848      205.6     12.5     12.0     5.9
   40   1   5   0  31.879  63.759  1.45849       21.6      1.3      1.3     5.9
   41   3   0   4  32.063  64.125  1.45104      153.8      9.4      9.0     5.9
   42   2   3   3  32.197  64.395  1.44562      118.0      7.2      6.9     5.9
   43   1   5   1  32.676  65.352  1.42675      125.0      7.6      7.3     5.9
   44   3   3   2  32.781  65.561  1.42269       27.8      1.7      1.6     5.9
   45   4   1   3  33.33   66.661  1.40187       52.7      3.2      3.1     5.9
   46   5   1   2  35.009  70.017  1.34265       48.9      3.0      2.8     5.9
   47   3   4   1  35.998  71.997  1.31053       85.7      5.2      4.9     5.9
   48   2   5   0  36.326  72.651  1.30033       73.0      4.4      4.2     6.0
   49   2   5   1  37.076  74.152  1.27768       45.2      2.7      2.6     6.0
   50   4   2   3  37.162  74.323  1.27516       76.7      4.7      4.4     6.0
   51   3   2   4  37.57   75.141  1.26331       18.5      1.1      1.1     6.0
   52   6   0   2  37.709  75.418  1.25934       19.1      1.2      1.1     6.0
   53   1   2   5  37.866  75.731  1.25491      103.5      6.3      5.9     6.0
   54   4   3   2  38.241  76.481  1.24447       50.2      3.1      2.9     6.0
   55   1   6   0  38.463  76.926  1.23837       41.0      2.5      2.3     6.0
   56   4   1   4  38.632  77.264  1.2338       149.5      9.1      8.5     6.0
   57   1   5   3  38.756  77.513  1.23046       71.7      4.4      4.1     6.0
   58   6   1   1  39.199  78.398  1.21876       19.9      1.2      1.1     6.0
   59   5   2   2  39.297  78.593  1.21623      130.3      7.9      7.4     6.0
   60   5   0   4  40.731  81.461  1.1805        19.5      1.2      1.1     6.1
   61   4   4   0  41.085  82.17   1.1721        41.0      2.5      2.3     6.1
   62   5   3   0  41.605  83.21   1.16008       17.3      1.1      1.0     6.1
   63   3   3   4  41.771  83.541  1.15632       19.4      1.2      1.1     6.1
   64   4   4   1  41.81   83.62   1.15543       22.6      1.4      1.3     6.1
   65   3   4   3  41.893  83.785  1.15357       86.1      5.2      4.8     6.1
   66   0   0   6  42.237  84.473  1.14592       38.5      2.3      2.2     6.1
   67   4   2   4  42.289  84.578  1.14477       76.5      4.7      4.3     6.1
   68   2   5   3  42.928  85.856  1.13097       36.2      2.2      2.0     6.1
   69   1   1   6  43.787  87.574  1.11315       79.6      4.8      4.4     6.2
   70   1   5   4  43.839  87.678  1.1121        43.0      2.6      2.4     6.2
   71   3   2   5  44.125  88.251  1.10636       57.5      3.5      3.2     6.2
   72   5   3   2  44.489  88.979  1.09918      169.6     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)