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       ***
                  ***********************
HEDYPHANE

1, t-apatite, f-mimetite

Ca(2)Pb(3)[AsO(4)](3)Cl


Hexagonal  P 6(3)/m  Z = 2

R =0.062          NR =550

15 .8 .1990

Ref.Str.:

         Rouse R.C., Dunn P.j., Peacor D.R. (1984)

         * Amer. Mineral., 69, 920-927

Reserv:

         See U(jj) in the original

                   Initial data from BDM-file 

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

             a =  10.14     alpha =   90.0 
             b =  10.14     beta  =   90.0 
             c =   7.185    gamma =  120.0 

    Unit cell volume (cub. angs.) =   639.78

    Molar volume ( cub.cm/mol.) =   192.68

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

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

   1 0.3333  0.6667  0.009    0.3    Ca    = 1.00
   2 0.2581  0.0142  0.25     0.97   Pb    = 1.00
   3 0.4021  0.3895  0.25     0.48   As    = 1.00
   4 0.364   0.523   0.25     0.2    O     = 1.00
   5 0.616   0.474   0.25     0.3    O     = 1.00
   6 0.365   0.276   0.065    1.7    O     = 1.00
   7 0.0     0.0     0.0      1.2    Cl    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3333     0.6667     0.009 
     2       2     0.2581     0.0142     0.25  
     3       3     0.4021     0.3895     0.25  
     4       4     0.364      0.523      0.25  
     5       5     0.616      0.474      0.25  
     6       6     0.365      0.276      0.065 
     7       7     0.0        0.0        0.0   
     8       2     0.9858     0.2439     0.25  
     9       2     0.7561     0.7419     0.25  
    10       3     0.6105     0.0126     0.25  
    11       3     0.9874     0.5979     0.25  
    12       4     0.477      0.841      0.25  
    13       4     0.159      0.636      0.25  
    14       5     0.526      0.142      0.25  
    15       5     0.858      0.384      0.25  
    16       6     0.724      0.089      0.065 
    17       6     0.911      0.635      0.065 
    18       1     0.6667     0.3333     0.509 
    19       2     0.7419     0.9858     0.75  
    20       3     0.5979     0.6105     0.75  
    21       4     0.636      0.477      0.75  
    22       5     0.384      0.526      0.75  
    23       6     0.635      0.724      0.565 
    24       7     0.0        0.0        0.5   
    25       2     0.0142     0.7561     0.75  
    26       2     0.2439     0.2581     0.75  
    27       3     0.3895     0.9874     0.75  
    28       3     0.0126     0.4021     0.75  
    29       4     0.523      0.159      0.75  
    30       4     0.841      0.364      0.75  
    31       5     0.474      0.858      0.75  
    32       5     0.142      0.616      0.75  
    33       6     0.276      0.911      0.565 
    34       6     0.089      0.365      0.565 
    35       1     0.3333     0.6667     0.491 
    36       6     0.365      0.276      0.435 
    37       6     0.724      0.089      0.435 
    38       6     0.911      0.635      0.435 
    39       1     0.6667     0.3333     0.991 
    40       6     0.635      0.724      0.935 
    41       6     0.276      0.911      0.935 
    42       6     0.089      0.365      0.935 


X-ray density (g/cm cub.)   =      5.99

MU (1/cm) =     943.969    Mass attenuation coefficient (cm**2/g) =    157.637

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

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

    1    Ca                  2.88         9
                                                 2.3813       4
                                                 2.3812       4
                                                 2.3811       4
                                                 2.5484       5
                                                 2.5484       5
                                                 2.5484       5
                                                 2.8635       6
                                                 2.8635       6
                                                 2.8635       6
    2    Pb                  3.144        5
                                                 2.6667       6
                                                 2.3534       5
                                                 2.5377       6
                                                 2.6667       6
                                                 2.5377       6
    3    As                  2.46         4
                                                 1.5826       4
                                                 1.8921       5
                                                 1.6733       6
                                                 1.6733       6
    4    O                   3.264        5
                                                 2.8365       5
                                                 2.8399       6
                                                 2.8311       4
                                                 2.8311       4
                                                 2.8399       6
    5    O                   3.264        7
                                                 2.8365       4
                                                 2.6769       6
                                                 3.0157       5
                                                 3.0157       5
                                                 2.9149       6
                                                 2.6769       6
                                                 2.9149       6
    6    O                   3.264        4
                                                 2.8399       4
                                                 2.6769       5
                                                 2.9149       5
                                                 2.6585       6
    7    Cl                  1.944        0

  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  5.032  10.064   0.057  256.96    6       73.1     2012.7
    2   1   0   1  7.962  15.924   0.09   101.29   12       25.0      185.2
    3   1   1   0  8.739  17.477   0.099   83.71    6      141.9     2470.0
    4   2   0   0 10.104  20.208   0.114   62.07    6       61.0      338.8
    5   1   1   1 10.716  21.433   0.121   54.94   12      134.8     2927.3
    6   2   0   1 11.864  23.729   0.133   44.43   12       75.7      746.3
    7   0   0   2 12.381  24.762   0.139   40.63    2      509.9     5161.7
    8   1   0   2 13.395  26.79    0.15    34.42   12       76.3      587.1
    9   1   2   0 13.419  26.839   0.151   34.29    6      129.8      846.6
   10   2   1   0 13.419  26.839   0.151   34.29    6      131.9      873.7
   11   1   2   1 14.812  29.623   0.166   27.79   12      329.7     8856.1
   12   2   1   1 14.812  29.623   0.166   27.79   12      321.0     8396.0
   13   1   1   2 15.235  30.471   0.171   26.16   12      255.6     5010.8
   14   3   0   0 15.257  30.514   0.171   26.08    6      308.5     3637.0
   15   2   0   2 16.083  32.167   0.18    23.28   12       22.8       35.3
   16   3   0   1 16.508  33.016   0.184   22.0    12       43.8      123.6
   17   2   2   0 17.689  35.379   0.197   18.93    6       81.1      182.7
   18   1   2   2 18.419  36.838   0.205   17.32   12      185.6     1750.1
   19   2   1   2 18.419  36.838   0.205   17.32   12       77.8      307.6
   20   1   3   0 18.437  36.874   0.205   17.28    6       89.3      202.2
   21   3   1   0 18.437  36.874   0.205   17.28    6       98.3      244.8
   22   2   2   1 18.797  37.594   0.209   16.56   12       63.1      193.5
   23   1   0   3 19.473  38.947   0.216   15.32   12       10.0        4.5
   24   1   3   1 19.508  39.016   0.217   15.26   12      121.3      657.8
   25   3   1   1 19.508  39.016   0.217   15.26   12       55.7      138.6
   26   3   0   2 19.843  39.686   0.22    14.69   12       86.0      318.3
   27   4   0   0 20.54   41.08    0.228   13.6     6      269.3     1446.3
   28   1   1   3 20.836  41.673   0.231   13.18   12      168.5     1096.5
   29   2   0   3 21.491  42.982   0.238   12.29   12       12.3        5.5
   30   4   0   1 21.523  43.046   0.238   12.25   12       30.0       32.3
   31   2   2   2 21.832  43.665   0.241   11.87   12      221.8     1710.5
   32   1   3   2 22.464  44.927   0.248   11.13   12       35.1       40.3
   33   3   1   2 22.464  44.927   0.248   11.13   12      147.0      704.9
   34   2   3   0 22.479  44.958   0.248   11.11    6      149.2      362.5
   35   3   2   0 22.479  44.958   0.248   11.11    6       37.5       22.8
   36   1   2   3 23.366  46.733   0.257   10.18   12      297.3     2636.9
   37   2   1   3 23.366  46.733   0.257   10.18   12      262.8     2060.2
   38   2   3   1 23.396  46.793   0.258   10.15   12      280.5     2340.2
   39   3   2   1 23.396  46.793   0.258   10.15   12      184.7     1015.3
   40   1   4   0 23.701  47.402   0.261    9.86    6       71.2       73.2
   41   4   1   0 23.701  47.402   0.261    9.86    6      224.8      730.0
   42   4   0   2 24.28   48.56    0.267    9.33   12      286.4     2243.2
   43   3   0   3 24.554  49.109   0.27     9.09   12       47.3       59.7
   44   1   4   1 24.583  49.167   0.27     9.07   12       49.5       65.3
   45   4   1   1 24.583  49.167   0.27     9.07   12       18.2        8.8
   46   0   0   4 25.393  50.786   0.278    8.43    2      572.2     1348.1
   47   1   0   4 25.958  51.915   0.284    8.01   12       56.6       75.3
   48   2   3   2 25.999  51.999   0.285    7.98   12       92.9      201.8
   49   3   2   2 25.999  51.999   0.285    7.98   12       50.6       59.9
   50   5   0   0 26.013  52.027   0.285    7.97    6      188.0      413.2
   51   2   2   3 26.261  52.522   0.287    7.8    12       38.3       33.6
   52   1   3   3 26.812  53.625   0.293    7.44   12      115.0      288.8
   53   3   1   3 26.812  53.625   0.293    7.44   12       91.1      181.0
   54   5   0   1 26.84   53.679   0.293    7.43   12       64.5       90.5
   55   1   1   4 27.061  54.123   0.295    7.29   12       88.0      165.4
   56   1   4   2 27.102  54.204   0.296    7.26   12       37.4       29.8
   57   4   1   2 27.102  54.204   0.296    7.26   12       59.3       74.8
   58   3   3   0 27.116  54.231   0.296    7.26    6       42.2       18.9
   59   2   0   4 27.602  55.204   0.301    6.97   12       37.0       28.0
   60   2   4   0 27.655  55.311   0.301    6.94    6      156.6      249.5
   61   4   2   0 27.655  55.311   0.301    6.94    6      134.3      183.4
   62   3   3   1 27.919  55.838   0.304    6.79   12      237.6     1124.1
   63   4   0   3 28.422  56.845   0.309    6.52   12       13.8        3.6
   64   2   4   1 28.449  56.897   0.309    6.51   12       35.1       23.5
   65   4   2   1 28.449  56.897   0.309    6.51   12      149.4      425.5
   66   1   2   4 29.183  58.366   0.317    6.14   12      135.3      329.7
   67   2   1   4 29.183  58.366   0.317    6.14   12       86.4      134.5
   68   5   0   2 29.221  58.443   0.317    6.12   12      216.7      843.5
   69   1   5   0 29.234  58.469   0.317    6.12    6       99.6       89.0
   70   5   1   0 29.234  58.469   0.317    6.12    6      135.3      164.3
   71   2   3   3 29.975  59.951   0.324    5.78   12      197.9      664.4
   72   3   2   3 29.975  59.951   0.324    5.78   12      172.3      503.5
   73   1   5   1 30.001  60.002   0.325    5.77   12      193.8      635.7
   74   5   1   1 30.001  60.002   0.325    5.77   12      204.2      705.5
   75   3   0   4 30.207  60.415   0.327    5.69   12      210.8      740.8
   76   3   3   2 30.245  60.49    0.327    5.67   12      147.3      360.5
   77   2   4   2 30.749  61.498   0.332    5.46   12      141.6      321.3
   78   4   2   2 30.749  61.498   0.332    5.46   12      175.4      493.1
   79   1   4   3 30.984  61.968   0.334    5.37   12       60.7       58.0
   80   4   1   3 30.984  61.968   0.334    5.37   12       18.3        5.3
   81   2   2   4 31.707  63.413   0.341    5.11   12       62.8       59.0
   82   6   0   0 31.756  63.511   0.342    5.09    6       56.3       23.6
   83   1   3   4 32.197  64.395   0.346    4.94   12       29.4       12.5
   84   3   1   4 32.197  64.395   0.346    4.94   12       98.9      141.8
   85   1   5   2 32.234  64.468   0.346    4.93   12      110.9      177.8
   86   5   1   2 32.234  64.468   0.346    4.93   12      135.6      265.7
   87   3   4   0 32.246  64.492   0.346    4.92    6      156.8      177.4
   88   4   3   0 32.246  64.492   0.346    4.92    6       18.5        2.5
   89   6   0   1 32.487  64.974   0.349    4.84   12      116.2      191.7
   90   1   0   5 32.899  65.798   0.353    4.72   12       10.4        1.5
   91   5   0   3 32.947  65.895   0.353    4.7    12       18.6        4.8
   92   3   4   1 32.971  65.943   0.353    4.69   12       50.8       35.5
   93   4   3   1 32.971  65.943   0.353    4.69   12       15.4        3.3
   94   2   5   0 33.215  66.431   0.356    4.62    6       69.7       32.9
   95   5   2   0 33.215  66.431   0.356    4.62    6       32.2        7.0
   96   4   0   4 33.647  67.294   0.36     4.5    12      225.3      668.9
   97   1   1   5 33.859  67.718   0.362    4.44   12       84.2       92.2
   98   3   3   3 33.906  67.813   0.362    4.42   12      199.4      515.6
   99   2   5   1 33.93   67.86    0.362    4.42   12      115.9      174.0
  100   5   2   1 33.93   67.86    0.362    4.42   12      227.1      668.1
  101   2   0   5 34.334  68.667   0.366    4.31   12       62.2       48.8
  102   2   4   3 34.381  68.762   0.367    4.3    12       39.6       19.8
  103   4   2   3 34.381  68.762   0.367    4.3    12      141.4      251.9
  104   6   0   2 34.632  69.263   0.369    4.23   12      144.1      258.0
  105   2   3   4 35.066  70.133   0.373    4.13   12       96.1      111.8
  106   3   2   4 35.066  70.133   0.373    4.13   12       31.3       11.8
  107   3   4   2 35.102  70.203   0.373    4.12   12      173.0      361.5
  108   4   3   2 35.102  70.203   0.373    4.12   12        5.1        0.3
  109   1   6   0 35.113  70.226   0.373    4.12    6      172.6      179.8
  110   6   1   0 35.113  70.226   0.373    4.12    6      122.0       89.9
  111   1   2   5 35.741  71.481   0.379    3.98   12      217.4      550.9
  112   2   1   5 35.741  71.481   0.379    3.98   12      226.1      595.6
  113   1   5   3 35.787  71.574   0.38     3.97   12      176.2      361.0
  114   5   1   3 35.787  71.574   0.38     3.97   12      167.7      327.1
  115   1   6   1 35.81   71.62    0.38     3.96   12      115.0      153.6
  116   6   1   1 35.81   71.62    0.38     3.96   12       54.9       35.0
  117   1   4   4 35.999  71.997   0.382    3.92   12       70.0       56.2
  118   4   1   4 35.999  71.997   0.382    3.92   12      162.5      303.4
  119   2   5   2 36.033  72.067   0.382    3.91   12       86.8       86.5
  120   5   2   2 36.033  72.067   0.382    3.91   12       79.5       72.6
  121   3   0   5 36.666  73.331   0.388    3.78   12       27.7        8.5
  122   4   4   0 37.425  74.849   0.394    3.64    6      242.6      314.3
  123   5   0   4 37.835  75.67    0.398    3.57   12      167.9      295.0
  124   1   6   2 37.869  75.738   0.398    3.57   12      166.4      289.4
  125   6   1   2 37.869  75.738   0.398    3.57   12       88.2       81.3
  126   3   5   0 37.88   75.761   0.399    3.56    6      224.1      262.3
  127   5   3   0 37.88   75.761   0.399    3.56    6       17.9        1.7
  128   7   0   0 37.88   75.761   0.399    3.56    6      100.1       52.3
  129   2   2   5 38.037  76.073   0.4      3.54   12       47.8       23.7
  130   6   0   3 38.082  76.164   0.4      3.53   12      130.5      176.2
  131   4   4   1 38.105  76.209   0.401    3.53   12       73.5       55.8
  132   1   3   5 38.49   76.98    0.404    3.47   12       79.5       64.2
  133   3   1   5 38.49   76.98    0.404    3.47   12       42.1       18.0
  134   3   4   3 38.535  77.07    0.404    3.46   12       61.1       37.9
  135   4   3   3 38.535  77.07    0.404    3.46   12       40.7       16.8
  136   3   5   1 38.558  77.115   0.405    3.46   12       14.5        2.1
  137   5   3   1 38.558  77.115   0.405    3.46   12       13.0        1.7
  138   7   0   1 38.558  77.115   0.405    3.46   12       51.1       26.4
  139   3   3   4 38.741  77.483   0.406    3.43   12       27.8        7.8
  140   2   4   4 39.192  78.384   0.41     3.36   12      129.6      165.7
  141   4   2   4 39.192  78.384   0.41     3.36   12      139.7      192.5
  142   2   6   0 39.237  78.474   0.411    3.36    6       62.7       19.3
  143   6   2   0 39.237  78.474   0.411    3.36    6       58.5       16.8
  144   2   5   3 39.437  78.873   0.412    3.33   12      104.9      107.4
  145   5   2   3 39.437  78.873   0.412    3.33   12      219.2      468.8
  146   4   0   5 39.841  79.681   0.416    3.27   12       18.0        3.1
  147   2   6   1 39.908  79.815   0.416    3.27   12        7.9        0.6
  148   6   2   1 39.908  79.815   0.416    3.27   12       42.0       16.9
  149   0   0   6 40.034  80.068   0.418    3.25    2      353.8      198.8
  150   4   4   2 40.123  80.246   0.418    3.24   12      138.0      180.9
  151   1   0   6 40.481  80.962   0.421    3.2    12       52.9       26.3
  152   1   5   4 40.536  81.073   0.422    3.19   12       96.4       86.9
  153   5   1   4 40.536  81.073   0.422    3.19   12      118.6      131.5
  154   3   5   2 40.57   81.14    0.422    3.19   12      236.6      522.9
  155   5   3   2 40.57   81.14    0.422    3.19   12       38.4       13.8
  156   7   0   2 40.57   81.14    0.422    3.19   12      116.0      125.7
  157   2   3   5 41.18   82.359   0.427    3.12   12      215.3      424.0
  158   3   2   5 41.18   82.359   0.427    3.12   12      125.0      143.0
  159   1   6   3 41.224  82.448   0.428    3.11   12       94.5       81.6
  160   6   1   3 41.224  82.448   0.428    3.11   12       42.6       16.6
  161   1   1   6 41.372  82.743   0.429    3.1    12      174.6      277.0
  162   1   7   0 41.471  82.942   0.43     3.09    6       54.8       13.6
  163   7   1   0 41.471  82.942   0.43     3.09    6      205.3      190.8
  164   2   0   6 41.815  83.631   0.433    3.06   12       25.3        5.7
  165   2   6   2 41.904  83.808   0.434    3.05   12       44.7       17.9
  166   6   2   2 41.904  83.808   0.434    3.05   12       30.3        8.2
  167   1   4   5 42.068  84.135   0.435    3.03   12       33.2        9.8
  168   4   1   5 42.068  84.135   0.435    3.03   12       13.4        1.6
  169   1   7   1 42.134  84.268   0.435    3.03   12       10.6        1.0
  170   7   1   1 42.134  84.268   0.435    3.03   12       64.2       36.5
  171   6   0   4 42.756  85.513   0.441    2.97   12       36.6       11.7
  172   1   2   6 43.143  86.287   0.444    2.94   12       81.0       56.6
  173   2   1   6 43.143  86.287   0.444    2.94   12       67.2       38.9
  174   3   4   4 43.198  86.397   0.444    2.94   12      135.1      157.2
  175   4   3   4 43.198  86.397   0.444    2.94   12        7.7        0.5
  176   4   5   0 43.242  86.485   0.445    2.94    6       73.7       23.4
  177   5   4   0 43.242  86.485   0.445    2.94    6       27.2        3.2
  178   4   4   3 43.438  86.877   0.446    2.92   12       50.7       22.0
  179   5   0   5 43.836  87.671   0.45     2.89   12       58.3       28.8
  180   3   5   3 43.88   87.759   0.45     2.89   12        8.8        0.7
  181   5   3   3 43.88   87.759   0.45     2.89   12       31.5        8.4
  182   7   0   3 43.88   87.759   0.45     2.89   12       61.6       32.2
  183   4   5   1 43.902  87.803   0.45     2.89   12        3.7        0.1
  184   5   4   1 43.902  87.803   0.45     2.89   12       26.4        5.9
  185   3   0   6 44.026  88.052   0.451    2.88   12       81.5       56.1
  186   2   5   4 44.081  88.162   0.452    2.88   12       33.3        9.4
  187   5   2   4 44.081  88.162   0.452    2.88   12       23.8        4.8
  188   1   7   2 44.114  88.228   0.452    2.88   12       22.7        4.4
  189   7   1   2 44.114  88.228   0.452    2.88   12       74.7       47.1
  190   3   6   0 44.125  88.25    0.452    2.88    6       37.4        5.9
  191   6   3   0 44.125  88.25    0.452    2.88    6      107.0       48.3
  192   8   0   0 44.566  89.132   0.456    2.85    6      272.0      309.2
  193   3   3   5 44.718  89.435   0.457    2.84   12      177.0      261.0
  194   3   6   1 44.784  89.567   0.457    2.84   12      133.9      149.3
  195   6   3   1 44.784  89.567   0.457    2.84   12      252.0      528.8


  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   5.032  10.064  8.7815      2012.7     11.7     11.8     5.6
    2   1   0   1   7.962  15.924  5.56084      185.2      1.1      1.1     5.6
    3   1   1   0   8.739  17.477  5.07        2470.0     14.3     14.4     5.6
    4   2   0   0  10.104  20.208  4.39075      338.8      2.0      2.0     5.6
    5   1   1   1  10.716  21.433  4.14251     2927.3     17.0     17.1     5.6
    6   2   0   1  11.864  23.729  3.74657      746.3      4.3      4.3     5.6
    7   0   0   2  12.381  24.762  3.5925      5161.7     29.9     30.0     5.6
    8   2   1   0  13.419  26.839  3.31909     2307.5     13.4     13.4     5.6
    9   1   2   1  14.812  29.623  3.01313    17252.1    100.0    100.0     5.6
   10   1   1   2  15.235  30.471  2.93123     8647.8     50.1     50.1     5.6
   11   2   2   0  17.689  35.379  2.535        182.7      1.1      1.1     5.7
   12   1   2   2  18.419  36.838  2.43789     2504.6     14.5     14.4     5.7
   13   2   2   1  18.797  37.594  2.39057      193.5      1.1      1.1     5.7
   14   1   3   1  19.508  39.016  2.30663      796.4      4.6      4.6     5.7
   15   3   0   2  19.843  39.686  2.26926      318.3      1.8      1.8     5.7
   16   4   0   0  20.54   41.08   2.19537     1446.3      8.4      8.3     5.7
   17   1   1   3  20.836  41.673  2.16554     1096.5      6.4      6.3     5.7
   18   2   2   2  21.832  43.665  2.07125     1710.5      9.9      9.8     5.7
   19   2   3   0  22.479  44.958  2.01461     1130.6      6.6      6.5     5.7
   20   1   2   3  23.366  46.733  1.94217     4697.1     27.2     26.8     5.7
   21   2   3   1  23.396  46.793  1.9398      3355.5     19.4     19.1     5.7
   22   4   1   0  23.701  47.402  1.91628      803.2      4.7      4.6     5.7
   23   4   0   2  24.28   48.56   1.87328     2243.2     13.0     12.8     5.7
   24   0   0   4  25.393  50.786  1.79625     1348.1      7.8      7.6     5.8
   25   5   0   0  26.013  52.027  1.7563       675.0      3.9      3.8     5.8
   26   1   3   3  26.812  53.625  1.70768      560.3      3.2      3.2     5.8
   27   2   4   0  27.655  55.311  1.65955      432.9      2.5      2.4     5.8
   28   3   3   1  27.919  55.838  1.64511     1124.1      6.5      6.3     5.8
   29   4   2   1  28.449  56.897  1.61698      452.7      2.6      2.5     5.8
   30   1   2   4  29.183  58.366  1.57975      464.2      2.7      2.6     5.8
   31   5   0   2  29.221  58.443  1.57784     1096.9      6.4      6.2     5.8
   32   5   1   1  30.001  60.002  1.54052     2509.1     14.5     14.1     5.8
   33   3   0   4  30.207  60.415  1.53098      740.8      4.3      4.1     5.8
   34   3   3   2  30.245  60.49   1.52924      360.5      2.1      2.0     5.8
   35   4   2   2  30.749  61.498  1.50657      814.5      4.7      4.6     5.8
   36   5   1   2  32.234  64.468  1.44416      623.4      3.6      3.5     5.9
   37   6   0   1  32.487  64.974  1.43413      191.7      1.1      1.1     5.9
   38   4   0   4  33.647  67.294  1.39021      668.9      3.9      3.7     5.9
   39   5   2   1  33.93   67.86   1.37999     1357.7      7.9      7.5     5.9
   40   4   2   3  34.381  68.762  1.36407      271.7      1.6      1.5     5.9
   41   6   0   2  34.632  69.263  1.35542      258.0      1.5      1.4     5.9
   42   3   4   2  35.102  70.203  1.33955      631.6      3.7      3.5     5.9
   43   2   1   5  35.741  71.481  1.31871     1146.5      6.6      6.3     5.9
   44   1   5   3  35.787  71.574  1.31723      876.6      5.1      4.8     5.9
   45   4   1   4  35.999  71.997  1.31052      359.6      2.1      2.0     5.9
   46   4   4   0  37.425  74.849  1.2675       314.3      1.8      1.7     6.0
   47   5   0   4  37.835  75.67   1.25578      295.0      1.7      1.6     6.0
   48   1   6   2  37.869  75.738  1.25482      687.0      4.0      3.7     6.0
   49   6   0   3  38.082  76.164  1.24886      232.0      1.3      1.3     6.0
   50   4   2   4  39.192  78.384  1.21894      358.1      2.1      1.9     6.0
   51   5   2   3  39.437  78.873  1.21261      576.2      3.3      3.1     6.0
   52   0   0   6  40.034  80.068  1.1975       198.8      1.2      1.1     6.0
   53   4   4   2  40.123  80.246  1.19529      180.9      1.0      1.0     6.0
   54   5   1   4  40.536  81.073  1.18517      218.3      1.3      1.2     6.1
   55   3   5   2  40.57   81.14   1.18437      662.4      3.8      3.6     6.1
   56   2   3   5  41.18   82.359  1.16989      566.9      3.3      3.0     6.1
   57   1   1   6  41.372  82.743  1.16543      277.0      1.6      1.5     6.1
   58   7   1   0  41.471  82.942  1.16314      204.4      1.2      1.1     6.1
   59   8   0   0  44.566  89.132  1.09769      309.2      1.8      1.6     6.2
   60   3   3   5  44.718  89.435  1.09475      261.0      1.5      1.4     6.2
   61   6   3   1  44.784  89.567  1.09348      678.2      3.9      3.6     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)