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       ***
                  ***********************
AIOLOSITE

1, DN

Na(2)[Na(2)Bi][SO(4)](3)Cl


Hexagonal  P 6(3)/m  Z = 2

R =0.048

28 .4 .10

Ref.Str.:

         Demartin F., Gramaccioli C.M., Campostrini I., Pilati T. (2010)

         * Amer. Mineral., 95, 382-384

         R: from La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily Italy.

         See U(ij) in the original.   N.A.D.

                   Initial data from BDM-file 

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

             a =   9.626    alpha =   90.0 
             b =   9.626    beta  =   90.0 
             c =   6.88     gamma =  120.0 

    Unit cell volume (cub. angs.) =   552.09

    Molar volume ( cub.cm/mol.) =   166.27

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

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

   1 0.3333  0.6667  0.0067   0.0    Na    = 1.00
   2 0.2534  0.999   0.25     0.0    Na    = 0.71, Bi    = 0.29
   3 0.4029  0.3742  0.25     0.0    S     = 1.00
   4 0.332   0.4775  0.25     0.0    O     = 1.00
   5 0.5776  0.4664  0.25     0.0    O     = 1.00
   6 0.3543  0.2695  0.08     0.0    O     = 1.00
   7 0.0     0.0     0.0      0.0    Cl    = 0.74, Br    = 0.07
   8 0.0     0.0     0.25     0.0    H(2)O = 0.19, H(2)O = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3333     0.6667     0.0067
     2       2     0.2534     0.999      0.25  
     3       3     0.4029     0.3742     0.25  
     4       4     0.332      0.4775     0.25  
     5       5     0.5776     0.4664     0.25  
     6       6     0.3543     0.2695     0.08  
     7       7     0.0        0.0        0.0   
     8       8     0.0        0.0        0.25  
     9       2     0.001      0.2544     0.25  
    10       2     0.7456     0.7466     0.25  
    11       3     0.6258     0.0287     0.25  
    12       3     0.9713     0.5971     0.25  
    13       4     0.5225     0.8545     0.25  
    14       4     0.1455     0.668      0.25  
    15       5     0.5336     0.1112     0.25  
    16       5     0.8888     0.4224     0.25  
    17       6     0.7305     0.0848     0.08  
    18       6     0.9152     0.6457     0.08  
    19       1     0.6667     0.3333     0.5067
    20       2     0.7466     0.001      0.75  
    21       3     0.5971     0.6258     0.75  
    22       4     0.668      0.5225     0.75  
    23       5     0.4224     0.5336     0.75  
    24       6     0.6457     0.7305     0.58  
    25       7     0.0        0.0        0.5   
    26       8     0.0        0.0        0.75  
    27       2     0.999      0.7456     0.75  
    28       2     0.2544     0.2534     0.75  
    29       3     0.3742     0.9713     0.75  
    30       3     0.0287     0.4029     0.75  
    31       4     0.4775     0.1455     0.75  
    32       4     0.8545     0.332      0.75  
    33       5     0.4664     0.8888     0.75  
    34       5     0.1112     0.5776     0.75  
    35       6     0.2695     0.9152     0.58  
    36       6     0.0848     0.3543     0.58  
    37       1     0.3333     0.6667     0.4933
    38       6     0.3543     0.2695     0.42  
    39       6     0.7305     0.0848     0.42  
    40       6     0.9152     0.6457     0.42  
    41       1     0.6667     0.3333     0.9933
    42       6     0.6457     0.7305     0.92  
    43       6     0.2695     0.9152     0.92  
    44       6     0.0848     0.3543     0.92  


X-ray density (g/cm cub.)   =      3.6 

MU (1/cm) =     362.921    Mass attenuation coefficient (cm**2/g) =    100.742

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

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

    1    Na                  3.528        9
                                                 2.4687       4
                                                 2.4687       4
                                                 2.4686       4
                                                 2.5677       5
                                                 2.5677       5
                                                 2.5677       5
                                                 2.8155       6
                                                 2.8155       6
                                                 2.8155       6
    2   Na   ,Bi             3.792       12
                                                 2.5617       6
                                                 2.9886       7
                                                 2.4441       8
                                                 3.4998       4
                                                 2.8145       4
                                                 2.3512       5
                                                 3.5299       6
                                                 2.9886       7
                                                 2.4401       6
                                                 2.5617       6
                                                 3.5299       6
                                                 2.4401       6
    3    S                   2.7          4
                                                 1.4605       4
                                                 1.4571       5
                                                 1.4598       6
                                                 1.4598       6
    4    O                   3.984       11
                                                 2.4193       5
                                                 2.4192       6
                                                 3.1428       4
                                                 3.1428       4
                                                 3.5231       5
                                                 3.5231       5
                                                 3.5847       6
                                                 3.0662       6
                                                 2.4192       6
                                                 3.5847       6
                                                 3.0662       6
    5    O                   3.984       13
                                                 2.4193       4
                                                 2.3466       6
                                                 3.2284       5
                                                 3.2284       5
                                                 3.0495       6
                                                 3.5231       4
                                                 3.5231       4
                                                 3.9307       5
                                                 3.9307       5
                                                 3.2219       6
                                                 2.3466       6
                                                 3.0495       6
                                                 3.2219       6
    6    O                   3.984       12
                                                 2.4192       4
                                                 2.3466       5
                                                 3.1332       7
                                                 3.2988       8
                                                 3.0495       5
                                                 3.5847       4
                                                 3.2219       5
                                                 3.83         8
                                                 3.0661       4
                                                 2.3392       6
                                                 3.2749       6
                                                 3.2751       6
    7   Cl   ,Br             4.704       22
                                                 4.4283       4
                                                 3.1332       6
                                                 1.72         8
                                                 4.4282       4
                                                 4.4283       4
                                                 3.1331       6
                                                 3.1332       6
                                                 4.4283       4
                                                 4.2265       6
                                                 3.44         7
                                                 3.44         7
                                                 1.72         8
                                                 4.4282       4
                                                 4.4283       4
                                                 4.2265       6
                                                 4.2266       6
                                                 4.2265       6
                                                 4.2265       6
                                                 4.2266       6
                                                 3.1332       6
                                                 3.1331       6
                                                 3.1332       6
    8   H(2)O,H(2)O          4.152       19
                                                 4.0806       4
                                                 3.2988       6
                                                 1.72         7
                                                 4.0805       4
                                                 4.0806       4
                                                 3.2987       6
                                                 3.2988       6
                                                 3.83         6
                                                 1.72         7
                                                 3.44         8
                                                 3.44         8
                                                 3.8299       6
                                                 3.83         6
                                                 3.2988       6
                                                 3.2987       6
                                                 3.2988       6
                                                 3.83         6
                                                 3.8299       6
                                                 3.83         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  5.302  10.603   0.06   231.28    6       24.0      262.4
    2   1   0   1  8.347  16.694   0.094   91.97   12       14.6       77.1
    3   1   1   0  9.209  18.419   0.104   75.16    6       62.9      586.1
    4   2   0   0 10.649  21.299   0.12    55.66    6        5.0        2.7
    5   1   1   1 11.263  22.526   0.127   49.53   12       14.5       41.0
    6   2   0   1 12.478  24.957   0.14    39.97   12       19.8       61.4
    7   0   0   2 12.939  25.879   0.145   37.03    2      216.3     1136.8
    8   1   0   2 14.018  28.037   0.157   31.25   12        5.5        3.7
    9   1   2   0 14.15   28.301   0.159   30.63    6        3.6        0.8
   10   2   1   0 14.15   28.301   0.159   30.63    6       54.0      175.7
   11   1   2   1 15.598  31.196   0.175   24.87   12      114.3     1280.1
   12   2   1   1 15.598  31.196   0.175   24.87   12      152.2     2268.6
   13   1   1   2 15.976  31.952   0.179   23.62   12      124.7     1446.7
   14   3   0   0 16.093  32.186   0.18    23.25    6      166.2     1263.4
   15   2   0   2 16.878  33.755   0.188   20.97   12        7.1        4.2
   16   3   0   1 17.395  34.79    0.194   19.63   12       30.1       70.1
   17   2   2   0 18.668  37.336   0.208   16.82    6       22.4       16.6
   18   1   2   2 19.361  38.722   0.215   15.51   12       78.6      377.2
   19   2   1   2 19.361  38.722   0.215   15.51   12       28.6       49.9
   20   1   3   0 19.46   38.921   0.216   15.34    6      120.5      438.6
   21   3   1   0 19.46   38.921   0.216   15.34    6        0.4        0.0
   22   2   2   1 19.822  39.644   0.22    14.73   12       13.0        9.9
   23   1   0   3 20.387  40.774   0.226   13.83   12        6.8        2.5
   24   1   3   1 20.577  41.154   0.228   13.55   12       46.4      114.7
   25   3   1   1 20.577  41.154   0.228   13.55   12       12.9        8.9
   26   3   0   2 20.876  41.751   0.231   13.12   12        6.1        1.9
   27   4   0   0 21.691  43.382   0.24    12.04    6      104.1      257.0
   28   1   1   3 21.843  43.685   0.242   11.85   12       82.0      313.9
   29   2   0   3 22.542  45.084   0.249   11.04   12       35.9       56.1
   30   4   0   1 22.717  45.435   0.251   10.85   12       11.8        5.9
   31   2   2   2 22.994  45.988   0.254   10.56   12      123.3      632.2
   32   1   3   2 23.666  47.333   0.261    9.89   12       38.1       56.4
   33   3   1   2 23.666  47.333   0.261    9.89   12       35.8       50.0
   34   2   3   0 23.751  47.502   0.261    9.81    6       65.6       83.0
   35   3   2   0 23.751  47.502   0.261    9.81    6        0.3        0.0
   36   1   2   3 24.546  49.092   0.27     9.1    12      110.5      437.9
   37   2   1   3 24.546  49.092   0.27     9.1    12      132.7      630.7
   38   2   3   1 24.711  49.421   0.271    8.96   12      108.4      415.0
   39   3   2   1 24.711  49.421   0.271    8.96   12      108.6      416.5
   40   1   4   0 25.051  50.103   0.275    8.69    6       79.0      106.8
   41   4   1   0 25.051  50.103   0.275    8.69    6       94.3      152.1
   42   4   0   2 25.603  51.207   0.281    8.27   12      105.8      364.6
   43   3   0   3 25.817  51.633   0.283    8.11   12       31.4       31.5
   44   1   4   1 25.975  51.95    0.284    8.0    12        7.8        1.9
   45   4   1   1 25.975  51.95    0.284    8.0    12        2.7        0.2
   46   0   0   4 26.605  53.21    0.291    7.58    2      266.3      352.5
   47   1   0   4 27.211  54.422   0.297    7.2    12       19.5       10.8
   48   2   3   2 27.44   54.88    0.299    7.06   12       40.3       45.1
   49   3   2   2 27.44   54.88    0.299    7.06   12        4.3        0.5
   50   5   0   0 27.516  55.032   0.3      7.02    6       42.0       24.4
   51   2   2   3 27.644  55.287   0.301    6.94   12       12.0        4.0
   52   1   3   3 28.234  56.469   0.307    6.62   12       43.4       49.1
   53   3   1   3 28.234  56.469   0.307    6.62   12       48.2       60.6
   54   5   0   1 28.384  56.767   0.309    6.54   12       46.0       54.5
   55   1   1   4 28.397  56.794   0.309    6.53   12       13.9        5.0
   56   1   4   2 28.62   57.239   0.311    6.42   12        9.4        2.2
   57   4   1   2 28.62   57.239   0.311    6.42   12        9.4        2.2
   58   3   3   0 28.694  57.387   0.312    6.38    6       14.8        2.7
   59   2   0   4 28.978  57.955   0.314    6.24   12        6.2        0.9
   60   2   4   0 29.271  58.541   0.317    6.1     6       83.4       83.5
   61   4   2   0 29.271  58.541   0.317    6.1     6        8.9        1.0
   62   3   3   1 29.538  59.077   0.32     5.98   12       81.7      157.2
   63   4   0   3 29.961  59.923   0.324    5.79   12        3.0        0.2
   64   2   4   1 30.105  60.21    0.326    5.73   12       45.7       47.0
   65   4   2   1 30.105  60.21    0.326    5.73   12       35.3       28.1
   66   1   2   4 30.678  61.357   0.331    5.49   12       49.2       52.3
   67   2   1   4 30.678  61.357   0.331    5.49   12       23.0       11.5
   68   5   0   2 30.891  61.782   0.333    5.41   12       64.6       89.0
   69   1   5   0 30.961  61.923   0.334    5.38    6        2.2        0.0
   70   5   1   0 30.961  61.923   0.334    5.38    6       53.5       30.4
   71   2   3   3 31.63   63.26    0.34     5.13   12       48.8       48.1
   72   3   2   3 31.63   63.26    0.34     5.13   12      109.0      240.2
   73   1   5   1 31.769  63.539   0.342    5.09   12       71.8      103.3
   74   5   1   1 31.769  63.539   0.342    5.09   12      126.0      318.0
   75   3   0   4 31.782  63.564   0.342    5.08   12       98.3      193.3
   76   3   3   2 31.99   63.98    0.344    5.01   12       56.4       62.8
   77   2   4   2 32.532  65.064   0.349    4.83   12       79.6      120.5
   78   4   2   2 32.532  65.064   0.349    4.83   12       78.4      117.0
   79   1   4   3 32.716  65.431   0.351    4.77   12       25.1       11.8
   80   4   1   3 32.716  65.431   0.351    4.77   12        3.3        0.2
   81   2   2   4 33.399  66.798   0.357    4.57   12       19.8        7.1
   82   6   0   0 33.669  67.339   0.36     4.49    6        9.0        0.7
   83   1   3   4 33.929  67.858   0.362    4.42   12       41.9       30.5
   84   3   1   4 33.929  67.858   0.362    4.42   12       34.8       21.0
   85   1   5   2 34.13   68.261   0.364    4.36   12       25.4       11.1
   86   5   1   2 34.13   68.261   0.364    4.36   12       81.8      114.9
   87   3   4   0 34.198  68.395   0.365    4.35    6       62.6       33.5
   88   4   3   0 34.198  68.395   0.365    4.35    6       14.3        1.7
   89   6   0   1 34.443  68.887   0.367    4.28   12        2.2        0.1
   90   1   0   5 34.567  69.134   0.368    4.25   12        5.0        0.4
   91   5   0   3 34.833  69.667   0.371    4.19   12       10.3        1.8
   92   3   4   1 34.966  69.932   0.372    4.15   12       15.0        3.7
   93   4   3   1 34.966  69.932   0.372    4.15   12       56.2       51.6
   94   2   5   0 35.242  70.485   0.375    4.09    6       24.5        4.8
   95   5   2   0 35.242  70.485   0.375    4.09    6       44.1       15.7
   96   4   0   4 35.497  70.994   0.377    4.03   12       99.3      156.4
   97   1   1   5 35.607  71.214   0.378    4.0    12       21.3        7.2
   98   3   3   3 35.87   71.74    0.38     3.95   12       50.0       38.8
   99   2   5   1 36.001  72.002   0.382    3.92   12       58.6       53.0
  100   5   2   1 36.001  72.002   0.382    3.92   12       72.5       81.2
  101   2   0   5 36.122  72.245   0.383    3.89   12       16.1        4.0
  102   2   4   3 36.384  72.767   0.385    3.84   12       66.3       66.5
  103   4   2   3 36.384  72.767   0.385    3.84   12       35.2       18.7
  104   6   0   2 36.721  73.441   0.388    3.77   12       66.3       65.3
  105   2   3   4 37.035  74.071   0.391    3.71   12       29.1       12.4
  106   3   2   4 37.035  74.071   0.391    3.71   12       10.9        1.7
  107   3   4   2 37.23   74.459   0.393    3.68   12       67.5       65.9
  108   4   3   2 37.23   74.459   0.393    3.68   12       10.1        1.5
  109   1   6   0 37.294  74.588   0.393    3.67    6       35.8        9.3
  110   6   1   0 37.294  74.588   0.393    3.67    6       50.8       18.6
  111   1   2   5 37.651  75.302   0.397    3.6    12       79.4       89.5
  112   2   1   5 37.651  75.302   0.397    3.6    12      109.4      169.6
  113   1   5   3 37.908  75.816   0.399    3.56   12       57.9       47.0
  114   5   1   3 37.908  75.816   0.399    3.56   12      108.0      163.3
  115   1   6   1 38.037  76.073   0.4      3.54   12       52.2       38.0
  116   6   1   1 38.037  76.073   0.4      3.54   12       49.5       34.1
  117   1   4   4 38.048  76.096   0.4      3.54   12       82.3       94.3
  118   4   1   4 38.048  76.096   0.4      3.54   12       66.7       62.0
  119   2   5   2 38.24   76.481   0.402    3.5    12      102.5      145.0
  120   5   2   2 38.24   76.481   0.402    3.5    12       47.8       31.5
  121   3   0   5 38.658  77.316   0.405    3.44   12       16.1        3.5
  122   4   4   0 39.804  79.608   0.416    3.28    6      124.5      100.0
  123   5   0   4 40.048  80.096   0.418    3.25   12       64.5       53.3
  124   2   2   5 40.154  80.308   0.419    3.24   12       12.0        1.8
  125   1   6   2 40.238  80.475   0.419    3.23   12       66.6       56.4
  126   6   1   2 40.238  80.475   0.419    3.23   12       37.1       17.5
  127   3   5   0 40.301  80.602   0.42     3.22    6       81.9       42.4
  128   5   3   0 40.301  80.602   0.42     3.22    6       44.1       12.3
  129   7   0   0 40.301  80.602   0.42     3.22    6       47.7       14.4
  130   6   0   3 40.407  80.813   0.421    3.21   12       24.4        7.5
  131   4   4   1 40.533  81.066   0.422    3.19   12       45.8       26.3
  132   1   3   5 40.65   81.299   0.423    3.18   12       32.1       12.9
  133   3   1   5 40.65   81.299   0.423    3.18   12        1.3        0.0
  134   3   4   3 40.901  81.803   0.425    3.15   12        8.6        0.9
  135   4   3   3 40.901  81.803   0.425    3.15   12       76.7       72.9
  136   3   5   1 41.027  82.055   0.426    3.14   12       12.9        2.1
  137   5   3   1 41.027  82.055   0.426    3.14   12        3.5        0.2
  138   7   0   1 41.027  82.055   0.426    3.14   12        6.9        0.6
  139   3   3   4 41.038  82.077   0.426    3.13   12       20.9        5.4
  140   2   4   4 41.532  83.064   0.43     3.08   12       62.4       47.2
  141   4   2   4 41.532  83.064   0.43     3.08   12       56.0       38.1
  142   2   6   0 41.783  83.565   0.433    3.06    6       43.8       11.5
  143   6   2   0 41.783  83.565   0.433    3.06    6       11.8        0.8
  144   2   5   3 41.888  83.775   0.433    3.05   12       53.5       34.4
  145   5   2   3 41.888  83.775   0.433    3.05   12       79.2       75.3
  146   4   0   5 42.129  84.258   0.435    3.03   12       10.0        1.2
  147   0   0   6 42.203  84.405   0.436    3.02    2      186.0       68.6
  148   2   6   1 42.504  85.009   0.439    2.99   12        1.9        0.0
  149   6   2   1 42.504  85.009   0.439    2.99   12       14.4        2.5
  150   1   0   6 42.694  85.388   0.44     2.98   12       11.7        1.6
  151   4   4   2 42.703  85.406   0.44     2.98   12       67.2       52.9
  152   1   5   4 43.006  86.012   0.443    2.95   12       13.3        2.1
  153   5   1   4 43.006  86.012   0.443    2.95   12       62.5       45.5
  154   3   5   2 43.193  86.387   0.444    2.94   12       80.5       75.0
  155   5   3   2 43.193  86.387   0.444    2.94   12       51.0       30.1
  156   7   0   2 43.193  86.387   0.444    2.94   12       55.1       35.1
  157   2   3   5 43.601  87.202   0.448    2.91   12       88.0       88.8
  158   3   2   5 43.601  87.202   0.448    2.91   12       77.7       69.1
  159   1   1   6 43.674  87.348   0.448    2.91   12      102.9      121.2
  160   1   6   3 43.85   87.7     0.45     2.89   12       46.4       24.5
  161   6   1   3 43.85   87.7     0.45     2.89   12       23.2        6.2
  162   2   0   6 44.164  88.328   0.452    2.87   12       16.8        3.2
  163   1   7   0 44.235  88.47    0.453    2.87    6       93.0       48.9
  164   7   1   0 44.235  88.47    0.453    2.87    6       53.7       16.3
  165   1   4   5 44.58   89.159   0.456    2.85   12        6.0        0.4
  166   4   1   5 44.58   89.159   0.456    2.85   12        1.6        0.0
  167   2   6   2 44.662  89.324   0.456    2.85   12       55.5       34.5
  168   6   2   2 44.662  89.324   0.456    2.85   12        0.3        0.0
  169   1   7   1 44.953  89.907   0.459    2.83   12        6.2        0.4
  170   7   1   1 44.953  89.907   0.459    2.83   12        7.5        0.6


  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   5.302  10.603  8.33636      262.4      7.4      7.5     5.6
    2   1   0   1   8.347  16.694  5.30627       77.1      2.2      2.2     5.6
    3   1   1   0   9.209  18.419  4.813        586.1     16.5     16.7     5.6
    4   1   1   1  11.263  22.526  3.94377       41.0      1.2      1.2     5.6
    5   2   0   1  12.478  24.957  3.56497       61.4      1.7      1.7     5.6
    6   0   0   2  12.939  25.879  3.44        1136.8     32.0     32.2     5.6
    7   2   1   0  14.15   28.301  3.15085      175.7      4.9      5.0     5.6
    8   2   1   1  15.598  31.196  2.86472     3548.7    100.0    100.0     5.6
    9   1   1   2  15.976  31.952  2.79865     1446.7     40.8     40.7     5.6
   10   3   0   0  16.093  32.186  2.77879     1263.4     35.6     35.6     5.6
   11   3   0   1  17.395  34.79   2.57657       70.1      2.0      2.0     5.7
   12   1   2   2  19.361  38.722  2.3235       427.1     12.0     12.0     5.7
   13   1   3   0  19.46   38.921  2.31209      438.6     12.4     12.3     5.7
   14   1   3   1  20.577  41.154  2.19164      123.6      3.5      3.5     5.7
   15   4   0   0  21.691  43.382  2.08409      257.0      7.2      7.2     5.7
   16   1   1   3  21.843  43.685  2.07032      313.9      8.8      8.7     5.7
   17   2   0   3  22.542  45.084  2.00929       56.1      1.6      1.6     5.7
   18   2   2   2  22.994  45.988  1.97189      632.2     17.8     17.6     5.7
   19   1   3   2  23.666  47.333  1.91893      106.4      3.0      3.0     5.7
   20   2   3   0  23.751  47.502  1.91249       83.0      2.3      2.3     5.7
   21   2   1   3  24.546  49.092  1.8542      1068.6     30.1     29.6     5.7
   22   3   2   1  24.711  49.421  1.84263      831.4     23.4     23.0     5.7
   23   4   1   0  25.051  50.103  1.81914      258.9      7.3      7.2     5.7
   24   4   0   2  25.603  51.207  1.78248      364.6     10.3     10.1     5.8
   25   0   0   4  26.605  53.21   1.72         352.5      9.9      9.7     5.8
   26   2   3   2  27.44   54.88   1.67153       45.7      1.3      1.3     5.8
   27   3   1   3  28.234  56.469  1.62822      109.7      3.1      3.0     5.8
   28   5   0   1  28.384  56.767  1.62037       59.4      1.7      1.6     5.8
   29   2   4   0  29.271  58.541  1.57542       84.5      2.4      2.3     5.8
   30   3   3   1  29.538  59.077  1.56242      157.2      4.4      4.3     5.8
   31   2   4   1  30.105  60.21   1.53568       75.1      2.1      2.0     5.8
   32   1   2   4  30.678  61.357  1.50971       63.8      1.8      1.7     5.8
   33   5   0   2  30.891  61.782  1.50034       89.0      2.5      2.4     5.8
   34   3   2   3  31.63   63.26   1.46878      288.4      8.1      7.8     5.9
   35   3   0   4  31.782  63.564  1.4625       614.6     17.3     16.7     5.9
   36   3   3   2  31.99   63.98   1.45398       62.8      1.8      1.7     5.9
   37   2   4   2  32.532  65.064  1.43236      237.5      6.7      6.4     5.9
   38   1   3   4  33.929  67.858  1.38002       51.5      1.5      1.4     5.9
   39   5   1   2  34.13   68.261  1.37285      126.0      3.6      3.4     5.9
   40   4   3   1  34.966  69.932  1.34408       55.3      1.6      1.5     5.9
   41   4   0   4  35.497  70.994  1.32657      156.4      4.4      4.2     5.9
   42   3   3   3  35.87   71.74   1.31459       38.8      1.1      1.0     5.9
   43   5   2   1  36.001  72.002  1.31045      134.2      3.8      3.6     5.9
   44   2   4   3  36.384  72.767  1.29854       85.2      2.4      2.3     6.0
   45   6   0   2  36.721  73.441  1.28828       65.3      1.8      1.7     6.0
   46   3   4   2  37.23   74.459  1.27317       67.4      1.9      1.8     6.0
   47   2   1   5  37.651  75.302  1.261        259.1      7.3      6.9     6.0
   48   5   1   3  37.908  75.816  1.25372      210.3      5.9      5.6     6.0
   49   4   1   4  38.048  76.096  1.2498       228.4      6.4      6.1     6.0
   50   2   5   2  38.24   76.481  1.24447      176.5      5.0      4.7     6.0
   51   4   4   0  39.804  79.608  1.20325      100.0      2.8      2.6     6.0
   52   5   0   4  40.048  80.096  1.19715       53.3      1.5      1.4     6.0
   53   1   6   2  40.238  80.475  1.19246       73.8      2.1      1.9     6.0
   54   3   5   0  40.301  80.602  1.19091       69.2      1.9      1.8     6.1
   55   4   3   3  40.901  81.803  1.17643       72.9      2.1      1.9     6.1
   56   2   4   4  41.532  83.064  1.16175       85.3      2.4      2.2     6.1
   57   5   2   3  41.888  83.775  1.15368      109.7      3.1      2.9     6.1
   58   0   0   6  42.203  84.405  1.14667       68.6      1.9      1.8     6.1
   59   4   4   2  42.703  85.406  1.13577       54.5      1.5      1.4     6.1
   60   5   1   4  43.006  86.012  1.12932       47.5      1.3      1.2     6.1
   61   3   5   2  43.193  86.387  1.12538      140.2      4.0      3.6     6.1
   62   2   3   5  43.601  87.202  1.11695      157.9      4.5      4.1     6.2
   63   1   1   6  43.674  87.348  1.11545      121.2      3.4      3.1     6.2
   64   1   7   0  44.235  88.47   1.10418       65.2      1.8      1.7     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)