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       ***
                  ***********************
SVABITE

3, t-apatite, s-svabite, DN

Ca(5)[AsO(4)](3)(F,OH)


Hexagonal  P 6(3)/m  Z = 2

P6(3)/m

13 .10 .16

Ref.Str.:

         Biagioni C., Bosi F., Halenius U., Pasero M. (2016)

         * Amer. Mineral., 101, 1750-1755

         L: $As6 Ca9.67 F1.50 O24.48 Pb0.33$

         R: Locality - Jakobsberg mine, Sweden.

         N.A.D.

                   Initial data from BDM-file 

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

             a =   9.7268   alpha =   90.0 
             b =   9.7268   beta  =   90.0 
             c =   6.982    gamma =  120.0 

    Unit cell volume (cub. angs.) =   572.07

    Molar volume ( cub.cm/mol.) =   172.29

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

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

   1 0.6667  0.3333  0.9971   0.0    Ca    = 1.00
   2 0.2436  0.999   0.25     0.0    Ca    = 0.95, Pb    = 0.05
   3 0.3995  0.3718  0.25     0.0    As    = 1.00
   4 0.3245  0.4933  0.25     0.0    O     = 1.00
   5 0.599   0.4702  0.25     0.0    O     = 1.00
   6 0.3415  0.2521  0.4412   0.0    O     = 1.00
   7 0.0     0.0     0.25     0.0    F     = 0.45, F     = 0.0 
   8 0.0     0.0     0.195    0.0    F     = 0.15, O     = 0.12


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6667     0.3333     0.9971
     2       2     0.2436     0.999      0.25  
     3       3     0.3995     0.3718     0.25  
     4       4     0.3245     0.4933     0.25  
     5       5     0.599      0.4702     0.25  
     6       6     0.3415     0.2521     0.4412
     7       7     0.0        0.0        0.25  
     8       8     0.0        0.0        0.195 
     9       2     0.001      0.2446     0.25  
    10       2     0.7554     0.7564     0.25  
    11       3     0.6282     0.0276     0.25  
    12       3     0.9724     0.6006     0.25  
    13       4     0.5067     0.8312     0.25  
    14       4     0.1688     0.6755     0.25  
    15       5     0.5298     0.1288     0.25  
    16       5     0.8712     0.401      0.25  
    17       6     0.7479     0.0894     0.4412
    18       6     0.9106     0.6585     0.4412
    19       1     0.3333     0.6667     0.4971
    20       2     0.7564     0.001      0.75  
    21       3     0.6005     0.6282     0.75  
    22       4     0.6755     0.5067     0.75  
    23       5     0.401      0.5298     0.75  
    24       6     0.6585     0.7479     0.9412
    25       7     0.0        0.0        0.75  
    26       8     0.0        0.0        0.695 
    27       2     0.999      0.7554     0.75  
    28       2     0.2446     0.2436     0.75  
    29       3     0.3718     0.9724     0.75  
    30       3     0.0276     0.3994     0.75  
    31       4     0.4933     0.1688     0.75  
    32       4     0.8312     0.3245     0.75  
    33       5     0.4702     0.8712     0.75  
    34       5     0.1288     0.599      0.75  
    35       6     0.2521     0.9106     0.9412
    36       6     0.0894     0.3415     0.9412
    37       1     0.6667     0.3333     0.5029
    38       6     0.3415     0.2521     0.0588
    39       8     0.0        0.0        0.305 
    40       6     0.7479     0.0894     0.0588
    41       6     0.9106     0.6585     0.0588
    42       1     0.3333     0.6667     0.0029
    43       6     0.6585     0.7479     0.5588
    44       8     0.0        0.0        0.805 
    45       6     0.2521     0.9106     0.5588
    46       6     0.0894     0.3415     0.5588


X-ray density (g/cm cub.)   =      3.84

MU (1/cm) =     350.93     Mass attenuation coefficient (cm**2/g) =     91.279

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

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

    1    Ca                  2.88         6
                                                 2.4897       5
                                                 2.4897       5
                                                 2.4897       5
                                                 2.3841       4
                                                 2.384        4
                                                 2.3839       4
    2   Ca   ,Pb             3.144        9
                                                 2.5311       6
                                                 2.3741       7
                                                 2.405        8
                                                 2.853        4
                                                 2.4147       5
                                                 2.3378       6
                                                 2.5311       6
                                                 2.405        8
                                                 2.3378       6
    3    As                  2.46         4
                                                 1.6703       4
                                                 1.681        5
                                                 1.673        6
                                                 1.673        6
    4    O                   3.264        7
                                                 2.7891       5
                                                 2.7752       6
                                                 2.8492       4
                                                 2.8492       4
                                                 2.9465       6
                                                 2.7752       6
                                                 2.9465       6
    5    O                   3.264        7
                                                 2.7891       4
                                                 2.6912       6
                                                 3.0407       5
                                                 3.0407       5
                                                 2.9618       6
                                                 2.6912       6
                                                 2.9618       6
    6    O                   3.264        8
                                                 2.7752       4
                                                 2.6912       5
                                                 2.9618       5
                                                 2.9464       4
                                                 2.6699       6
                                                 3.1314       8
                                                 3.0944       6
                                                 3.0945       6
    7   F    ,F              3.228        4
                                                 0.384        8
                                                 3.107        8
                                                 0.384        8
                                                 3.107        8
    8   F    ,O              3.264        7
                                                 0.384        7
                                                 3.107        7
                                                 3.1314       6
                                                 0.768        8
                                                 3.1313       6
                                                 3.1314       6
                                                 2.723        8

  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  5.247  10.493   0.059  236.21    6       28.7      355.8
    2   1   0   1  8.238  16.477   0.093   94.46   12       20.7      148.3
    3   1   1   0  9.113  18.226   0.103   76.8     6       54.8      423.3
    4   2   0   0 10.538  21.076   0.119   56.89    6        1.6        0.3
    5   1   1   1 11.129  22.258   0.125   50.79   12       75.0     1048.6
    6   2   0   1 12.332  24.665   0.139   40.97   12       27.8      115.7
    7   0   0   2 12.747  25.494   0.143   38.22    2      249.4     1452.3
    8   1   0   2 13.818  27.637   0.155   32.22   12       25.0       73.6
    9   1   2   0 14.001  28.001   0.157   31.33    6        6.1        2.1
   10   2   1   0 14.001  28.001   0.157   31.33    6       85.0      415.4
   11   1   2   1 15.421  30.841   0.173   25.49   12      106.0     1050.9
   12   2   1   1 15.421  30.841   0.173   25.49   12      163.7     2504.3
   13   1   1   2 15.76   31.52    0.176   24.32   12      121.9     1325.7
   14   3   0   0 15.922  31.844   0.178   23.79    6      198.0     1710.6
   15   2   0   2 16.654  33.307   0.186   21.58   12       98.3      764.6
   16   3   0   1 17.198  34.397   0.192   20.13   12       37.6      104.1
   17   2   2   0 18.467  36.935   0.206   17.22    6       12.4        4.8
   18   1   2   2 19.114  38.227   0.213   15.96   12       11.4        7.6
   19   2   1   2 19.114  38.227   0.213   15.96   12       12.8        9.6
   20   1   3   0 19.251  38.501   0.214   15.71    6       66.5      127.2
   21   3   1   0 19.251  38.501   0.214   15.71    6       74.4      159.6
   22   2   2   1 19.599  39.197   0.218   15.1    12       75.1      312.0
   23   1   0   3 20.082  40.165   0.223   14.3    12        1.6        0.1
   24   1   3   1 20.345  40.69    0.226   13.9    12       93.2      442.6
   25   3   1   1 20.345  40.69    0.226   13.9    12        7.2        2.7
   26   3   0   2 20.613  41.226   0.229   13.5    12       35.9       63.8
   27   4   0   0 21.455  42.91    0.237   12.34    6       17.2        6.7
   28   1   1   3 21.526  43.051   0.238   12.25   12       15.3       10.6
   29   2   0   3 22.218  44.437   0.245   11.41   12       25.4       27.0
   30   4   0   1 22.46   44.921   0.248   11.13   12       44.9       82.2
   31   2   2   2 22.708  45.416   0.251   10.86   12      139.4      773.9
   32   1   3   2 23.373  46.747   0.258   10.17   12       21.6       17.4
   33   3   1   2 23.373  46.747   0.258   10.17   12       30.8       35.3
   34   2   3   0 23.49   46.98    0.259   10.06    6       56.3       58.4
   35   3   2   0 23.49   46.98    0.259   10.06    6       73.2       98.8
   36   1   2   3 24.203  48.406   0.266    9.4    12      101.1      352.3
   37   2   1   3 24.203  48.406   0.266    9.4    12      154.9      826.6
   38   2   3   1 24.43   48.859   0.268    9.2    12       92.1      286.3
   39   3   2   1 24.43   48.859   0.268    9.2    12       69.9      165.1
   40   1   4   0 24.774  49.548   0.272    8.91    6       84.2      115.8
   41   4   1   0 24.774  49.548   0.272    8.91    6       65.3       69.6
   42   4   0   2 25.288  50.576   0.277    8.51   12       74.2      171.6
   43   3   0   3 25.46   50.92    0.279    8.38   12       33.3       34.2
   44   1   4   1 25.679  51.357   0.281    8.21   12       38.9       45.6
   45   4   1   1 25.679  51.357   0.281    8.21   12       28.5       24.4
   46   0   0   4 26.187  52.373   0.286    7.86    2      334.6      537.5
   47   1   0   4 26.787  53.573   0.293    7.46   12       26.8       19.7
   48   2   3   2 27.103  54.205   0.296    7.26   12       12.2        4.0
   49   3   2   2 27.103  54.205   0.296    7.26   12      144.1      552.8
   50   5   0   0 27.207  54.415   0.297    7.2     6       92.4      112.7
   51   2   2   3 27.266  54.533   0.297    7.16   12       50.5       67.1
   52   1   3   3 27.851  55.701   0.303    6.83   12       86.8      188.6
   53   3   1   3 27.851  55.701   0.303    6.83   12       59.2       87.8
   54   1   1   4 27.96   55.92    0.304    6.77   12       26.7       17.7
   55   5   0   1 28.056  56.112   0.305    6.71   12       28.2       19.6
   56   1   4   2 28.267  56.534   0.307    6.6    12        3.8        0.3
   57   4   1   2 28.267  56.534   0.307    6.6    12       32.1       24.9
   58   3   3   0 28.369  56.738   0.308    6.55    6       28.2        9.6
   59   2   0   4 28.535  57.069   0.31     6.46   12       12.1        3.5
   60   2   4   0 28.938  57.877   0.314    6.26    6      122.6      172.5
   61   4   2   0 28.938  57.877   0.314    6.26    6       43.0       21.2
   62   3   3   1 29.195  58.391   0.317    6.14   12       84.4      160.1
   63   4   0   3 29.557  59.113   0.32     5.97   12       43.2       40.9
   64   2   4   1 29.755  59.509   0.322    5.88   12      102.3      225.6
   65   4   2   1 29.755  59.509   0.322    5.88   12       50.7       55.5
   66   1   2   4 30.216  60.432   0.327    5.68   12       32.3       21.7
   67   2   1   4 30.216  60.432   0.327    5.68   12       57.7       69.4
   68   5   0   2 30.509  61.017   0.33     5.56   12      167.3      570.9
   69   1   5   0 30.606  61.212   0.33     5.52    6       13.1        1.8
   70   5   1   0 30.606  61.212   0.33     5.52    6       70.7       50.7
   71   2   3   3 31.204  62.408   0.336    5.29   12       49.7       47.9
   72   3   2   3 31.204  62.408   0.336    5.29   12       75.0      109.0
   73   3   0   4 31.306  62.612   0.337    5.25   12      134.9      350.5
   74   1   5   1 31.396  62.791   0.338    5.22   12       31.1       18.5
   75   5   1   1 31.396  62.791   0.338    5.22   12      120.1      276.1
   76   3   3   2 31.593  63.186   0.34     5.15   12       36.7       25.4
   77   2   4   2 32.127  64.255   0.345    4.96   12       54.8       54.7
   78   4   2   2 32.127  64.255   0.345    4.96   12       52.1       49.4
   79   1   4   3 32.275  64.55    0.347    4.91   12       56.6       57.6
   80   4   1   3 32.275  64.55    0.347    4.91   12       38.8       27.1
   81   2   2   4 32.903  65.805   0.353    4.71   12       22.5        8.8
   82   6   0   0 33.275  66.55    0.356    4.6     6       24.1        4.9
   83   1   3   4 33.426  66.852   0.358    4.56   12        1.4        0.0
   84   3   1   4 33.426  66.852   0.358    4.56   12       40.8       27.9
   85   1   5   2 33.703  67.406   0.36     4.48   12       58.7       56.6
   86   5   1   2 33.703  67.406   0.36     4.48   12       66.2       72.1
   87   3   4   0 33.795  67.59    0.361    4.45    6       18.3        2.7
   88   4   3   0 33.795  67.59    0.361    4.45    6       68.5       38.3
   89   1   0   5 33.997  67.994   0.363    4.4    12       16.0        4.2
   90   6   0   1 34.031  68.061   0.363    4.39   12       35.5       20.3
   91   5   0   3 34.363  68.726   0.366    4.3    12       18.0        5.1
   92   3   4   1 34.545  69.091   0.368    4.26   12        0.8        0.0
   93   4   3   1 34.545  69.091   0.368    4.26   12      123.7      238.6
   94   2   5   0 34.824  69.648   0.371    4.19    6       39.9       12.2
   95   5   2   0 34.824  69.648   0.371    4.19    6      109.0       91.2
   96   4   0   4 34.972  69.944   0.372    4.15   12       13.0        2.6
   97   1   1   5 35.023  70.046   0.373    4.14   12       64.6       63.4
   98   3   3   3 35.384  70.769   0.376    4.05   12       42.2       26.5
   99   2   0   5 35.531  71.062   0.377    4.02   12       33.6       16.6
  100   2   5   1 35.564  71.129   0.378    4.01   12       19.9        5.8
  101   5   2   1 35.564  71.129   0.378    4.01   12       69.3       70.7
  102   2   4   3 35.89   71.78    0.381    3.94   12      114.7      190.2
  103   4   2   3 35.89   71.78    0.381    3.94   12       49.3       35.1
  104   6   0   2 36.254  72.507   0.384    3.87   12       38.5       21.0
  105   2   3   4 36.488  72.976   0.386    3.82   12       38.8       21.0
  106   3   2   4 36.488  72.976   0.386    3.82   12       68.9       66.5
  107   3   4   2 36.755  73.509   0.388    3.77   12       67.9       63.7
  108   4   3   2 36.755  73.509   0.388    3.77   12       23.5        7.6
  109   1   6   0 36.843  73.687   0.389    3.75    6       93.8       60.5
  110   6   1   0 36.843  73.687   0.389    3.75    6       73.5       37.1
  111   1   2   5 37.038  74.076   0.391    3.71   12       70.4       67.5
  112   2   1   5 37.038  74.076   0.391    3.71   12      110.7      166.9
  113   1   5   3 37.391  74.782   0.394    3.65   12       11.0        1.6
  114   5   1   3 37.391  74.782   0.394    3.65   12      110.2      162.4
  115   1   4   4 37.485  74.97    0.395    3.63   12       73.1       71.2
  116   4   1   4 37.485  74.97    0.395    3.63   12       46.8       29.2
  117   1   6   1 37.567  75.135   0.396    3.62   12        2.7        0.1
  118   6   1   1 37.567  75.135   0.396    3.62   12        3.5        0.2
  119   2   5   2 37.749  75.498   0.397    3.59   12      101.2      134.6
  120   5   2   2 37.749  75.498   0.397    3.59   12       17.1        3.9
  121   3   0   5 38.029  76.059   0.4      3.54   12       20.7        5.6
  122   4   4   0 39.311  78.622   0.411    3.35    6       87.1       46.5
  123   5   0   4 39.453  78.905   0.412    3.33   12       91.6      102.3
  124   2   2   5 39.502  79.003   0.413    3.32   12       62.7       47.9
  125   1   6   2 39.713  79.425   0.415    3.29   12       73.1       64.5
  126   6   1   2 39.713  79.425   0.415    3.29   12       22.2        6.0
  127   3   5   0 39.799  79.598   0.415    3.28    6      113.4       77.3
  128   5   3   0 39.799  79.598   0.415    3.28    6       27.2        4.5
  129   7   0   0 39.799  79.598   0.415    3.28    6       22.1        2.9
  130   6   0   3 39.848  79.696   0.416    3.27   12       42.5       21.7
  131   1   3   5 39.989  79.978   0.417    3.26   12       67.8       54.9
  132   3   1   5 39.989  79.978   0.417    3.26   12        1.6        0.0
  133   4   4   1 40.021  80.042   0.417    3.25   12       57.8       39.8
  134   3   4   3 40.334  80.668   0.42     3.21   12        3.8        0.2
  135   4   3   3 40.334  80.668   0.42     3.21   12      130.1      199.4
  136   3   3   4 40.426  80.852   0.421    3.2    12       31.6       11.7
  137   3   5   1 40.507  81.013   0.422    3.19   12        8.6        0.9
  138   5   3   1 40.507  81.013   0.422    3.19   12       37.0       16.0
  139   7   0   1 40.507  81.013   0.422    3.19   12       22.8        6.1
  140   2   4   4 40.911  81.821   0.425    3.15   12       96.9      108.3
  141   4   2   4 40.911  81.821   0.425    3.15   12       64.5       48.0
  142   2   6   0 41.254  82.508   0.428    3.11    6       42.0       10.0
  143   6   2   0 41.254  82.508   0.428    3.11    6       18.3        1.9
  144   2   5   3 41.303  82.605   0.428    3.11   12       19.5        4.3
  145   5   2   3 41.303  82.605   0.428    3.11   12       67.2       51.4
  146   4   0   5 41.443  82.885   0.43     3.09   12       35.3       14.1
  147   0   0   6 41.448  82.896   0.43     3.09    2      195.1       71.9
  148   1   0   6 41.93   83.861   0.434    3.04   12       17.5        3.4
  149   2   6   1 41.957  83.913   0.434    3.04   12       27.3        8.3
  150   6   2   1 41.957  83.913   0.434    3.04   12        7.0        0.5
  151   4   4   2 42.133  84.266   0.435    3.03   12       35.8       14.2
  152   1   5   4 42.358  84.716   0.437    3.01   12        9.4        1.0
  153   5   1   4 42.358  84.716   0.437    3.01   12       81.5       73.2
  154   3   5   2 42.614  85.229   0.439    2.98   12      138.2      209.0
  155   5   3   2 42.614  85.229   0.439    2.98   12       81.5       72.6
  156   7   0   2 42.614  85.229   0.439    2.98   12       42.4       19.7
  157   2   3   5 42.887  85.774   0.442    2.96   12       81.7       72.5
  158   3   2   5 42.887  85.774   0.442    2.96   12       44.6       21.6
  159   1   1   6 42.893  85.785   0.442    2.96   12      107.9      126.4
  160   1   6   3 43.228  86.456   0.445    2.94   12        2.0        0.0
  161   6   1   3 43.228  86.456   0.445    2.94   12       17.0        3.1
  162   2   0   6 43.373  86.745   0.446    2.93   12       38.8       16.2
  163   1   7   0 43.66   87.32    0.448    2.91    6      117.3       73.4
  164   7   1   0 43.66   87.32    0.448    2.91    6        9.4        0.5
  165   1   4   5 43.847  87.694   0.45     2.89   12       23.8        6.0
  166   4   1   5 43.847  87.694   0.45     2.89   12       15.9        2.7
  167   2   6   2 44.054  88.108   0.451    2.88   12       32.0       10.8
  168   6   2   2 44.054  88.108   0.451    2.88   12       77.5       63.4
  169   1   7   1 44.358  88.715   0.454    2.86   12        2.8        0.1
  170   7   1   1 44.358  88.715   0.454    2.86   12       58.1       35.5
  171   6   0   4 44.757  89.514   0.457    2.84   12       26.0        7.0
  172   1   2   6 44.811  89.622   0.457    2.84   12       18.4        3.5
  173   2   1   6 44.811  89.622   0.457    2.84   12       20.2        4.2


  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   5.247  10.493  8.42366      355.8     10.0     10.2     5.6
    2   1   0   1   8.238  16.477  5.37554      148.3      4.2      4.2     5.6
    3   1   1   0   9.113  18.226  4.8634       423.3     11.9     12.0     5.6
    4   1   1   1  11.129  22.258  3.99069     1048.6     29.5     29.7     5.6
    5   2   0   1  12.332  24.665  3.60645      115.7      3.3      3.3     5.6
    6   0   0   2  12.747  25.494  3.491       1452.3     40.9     41.0     5.6
    7   1   0   2  13.818  27.637  3.22502       73.6      2.1      2.1     5.6
    8   2   1   0  14.001  28.001  3.18384      417.5     11.7     11.8     5.6
    9   2   1   1  15.421  30.841  2.89687     3555.1    100.0    100.0     5.6
   10   1   1   2  15.76   31.52   2.83601     1325.7     37.3     37.3     5.6
   11   3   0   0  15.922  31.844  2.80789     1710.6     48.1     48.1     5.6
   12   2   0   2  16.654  33.307  2.68777      764.6     21.5     21.5     5.6
   13   3   0   1  17.198  34.397  2.60511      104.1      2.9      2.9     5.7
   14   3   1   0  19.251  38.501  2.3363       286.8      8.1      8.0     5.7
   15   2   2   1  19.599  39.197  2.29641      312.0      8.8      8.7     5.7
   16   1   3   1  20.345  40.69   2.21556      445.2     12.5     12.4     5.7
   17   3   0   2  20.613  41.226  2.18797       63.8      1.8      1.8     5.7
   18   4   0   1  22.46   44.921  2.0162        82.2      2.3      2.3     5.7
   19   2   2   2  22.708  45.416  1.99534      773.9     21.8     21.5     5.7
   20   3   1   2  23.373  46.747  1.94162       52.7      1.5      1.5     5.7
   21   3   2   0  23.49   46.98   1.93252      157.2      4.4      4.4     5.7
   22   2   1   3  24.203  48.406  1.87888     1179.0     33.2     32.6     5.7
   23   2   3   1  24.43   48.859  1.86249      451.4     12.7     12.5     5.7
   24   1   4   0  24.774  49.548  1.83819      185.4      5.2      5.1     5.7
   25   4   0   2  25.288  50.576  1.80322      171.6      4.8      4.7     5.8
   26   1   4   1  25.679  51.357  1.77762       70.0      2.0      1.9     5.8
   27   0   0   4  26.187  52.373  1.7455       537.5     15.1     14.8     5.8
   28   3   2   2  27.103  54.205  1.69075      556.8     15.7     15.3     5.8
   29   5   0   0  27.207  54.415  1.68473      112.7      3.2      3.1     5.8
   30   2   2   3  27.266  54.533  1.68136       67.1      1.9      1.8     5.8
   31   1   3   3  27.851  55.701  1.64883      276.4      7.8      7.6     5.8
   32   2   4   0  28.938  57.877  1.59192      193.7      5.4      5.3     5.8
   33   3   3   1  29.195  58.391  1.57913      160.1      4.5      4.4     5.8
   34   4   0   3  29.557  59.113  1.56153       40.9      1.1      1.1     5.8
   35   2   4   1  29.755  59.509  1.55209      281.0      7.9      7.7     5.8
   36   2   1   4  30.216  60.432  1.53057       91.0      2.6      2.5     5.8
   37   5   0   2  30.509  61.017  1.51729      570.9     16.1     15.5     5.8
   38   5   1   0  30.606  61.212  1.51293       52.4      1.5      1.4     5.8
   39   3   2   3  31.204  62.408  1.48678      156.9      4.4      4.3     5.8
   40   3   0   4  31.306  62.612  1.48241      350.5      9.9      9.5     5.8
   41   5   1   1  31.396  62.791  1.47862      294.6      8.3      8.0     5.9
   42   2   4   2  32.127  64.255  1.44843      104.1      2.9      2.8     5.9
   43   1   4   3  32.275  64.55   1.44252       84.7      2.4      2.3     5.9
   44   5   1   2  33.703  67.406  1.38818      128.7      3.6      3.5     5.9
   45   4   3   0  33.795  67.59   1.38484       41.1      1.2      1.1     5.9
   46   4   3   1  34.545  69.091  1.35838      238.6      6.7      6.4     5.9
   47   5   2   0  34.824  69.648  1.34886      103.5      2.9      2.8     5.9
   48   1   1   5  35.023  70.046  1.34217       63.4      1.8      1.7     5.9
   49   5   2   1  35.564  71.129  1.32438       76.5      2.2      2.0     5.9
   50   2   4   3  35.89   71.78   1.31395      225.3      6.3      6.0     5.9
   51   3   2   4  36.488  72.976  1.29534       87.5      2.5      2.3     6.0
   52   3   4   2  36.755  73.509  1.28726       71.3      2.0      1.9     6.0
   53   1   6   0  36.843  73.687  1.2846        97.6      2.7      2.6     6.0
   54   2   1   5  37.038  74.076  1.27881      234.4      6.6      6.2     6.0
   55   5   1   3  37.391  74.782  1.26847      164.0      4.6      4.4     6.0
   56   1   4   4  37.485  74.97   1.26576      100.4      2.8      2.7     6.0
   57   2   5   2  37.749  75.498  1.25821      138.5      3.9      3.7     6.0
   58   4   4   0  39.311  78.622  1.21585       46.5      1.3      1.2     6.0
   59   5   0   4  39.453  78.905  1.2122       102.3      2.9      2.7     6.0
   60   2   2   5  39.502  79.003  1.21094       47.9      1.3      1.3     6.0
   61   1   6   2  39.713  79.425  1.20557       70.5      2.0      1.9     6.0
   62   3   5   0  39.799  79.598  1.20338       84.7      2.4      2.2     6.0
   63   1   3   5  39.989  79.978  1.19862       54.9      1.5      1.4     6.0
   64   4   4   1  40.021  80.042  1.19782       39.8      1.1      1.0     6.0
   65   4   3   3  40.334  80.668  1.19009      199.4      5.6      5.2     6.1
   66   2   4   4  40.911  81.821  1.17621      156.3      4.4      4.1     6.1
   67   5   2   3  41.303  82.605  1.16702       55.7      1.6      1.5     6.1
   68   0   0   6  41.448  82.896  1.16367       86.0      2.4      2.2     6.1
   69   5   1   4  42.358  84.716  1.14325       73.2      2.1      1.9     6.1
   70   3   5   2  42.614  85.229  1.13768      301.3      8.5      7.8     6.1
   71   1   1   6  42.893  85.785  1.13172      220.5      6.2      5.7     6.1
   72   1   7   0  43.66   87.32   1.11574       73.8      2.1      1.9     6.2
   73   6   2   2  44.054  88.108  1.10778       74.2      2.1      1.9     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)