Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

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FENCOOPERITE

1

Ba(6)Fe(3)Si(8)O(23)[CO(3)](2)Cl(3).H(2)O


Hexagonal  P 3m1  Z = 1

R =0.061          NR =1335

17 .6 .1903

Ref.Str.:

         J.D. Grice (2001)

         * Canad. Mineral., 39, 1065-1071

Reserv:

         There are U(ij) in the article. D.T.N.

                   Initial data from BDM-file 

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

             a =  10.7409   alpha =   90.0 
             b =  10.7409   beta  =   90.0 
             c =   7.0955   gamma =  120.0 

    Unit cell volume (cub. angs.) =   708.92

    Molar volume ( cub.cm/mol.) =   427.01

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

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

   1 0.8275  0.1725  0.0      1.84   Ba    = 1.00
   2 0.5161  0.4839  0.5006   2.45   Ba    = 1.00
   3 0.4373  0.5627  0.001    2.58   Fe    = 1.00
   4 0.0     0.0     0.7218   4.09   Si    = 1.00
   5 0.1678  0.3356  0.7284   4.05   Si    = 1.00
   6 0.0     0.0     0.2789   4.19   Si    = 1.00
   7 0.1669  0.8331  0.2704   3.94   Si    = 1.00
   8 0.6667  0.3333  0.181    3.91   C     = 1.00
   9 0.6667  0.3333  0.716    3.82   C     = 1.00
  10 0.0     0.0     0.498    2.32   O     = 1.00
  11 0.0822  0.1644  0.797    2.08   O     = 1.00
  12 0.3316  0.9223  0.804    1.93   O     = 1.00
  13 0.167   0.334   0.505    2.01   O     = 1.00
  14 0.0819  0.1638  0.199    2.09   O     = 1.00
  15 0.5933  0.9231  0.196    1.94   O     = 1.00
  16 0.3333  0.6667  0.994    1.86   O     = 1.00
  17 0.5972  0.4028  0.176    1.94   O     = 1.00
  18 0.7366  0.2634  0.711    2.02   O     = 1.00
  19 0.3333  0.6667  0.504    0.14   H(2)O = 1.00
  20 0.8361  0.1639  0.501    0.87   Cl    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.8275     0.1725     0.0   
     2       2     0.5161     0.4839     0.5006
     3       3     0.4373     0.5627     0.001 
     4       4     0.0        0.0        0.7218
     5       5     0.1678     0.3356     0.7284
     6       6     0.0        0.0        0.2789
     7       7     0.1669     0.8331     0.2704
     8       8     0.6667     0.3333     0.181 
     9       9     0.6667     0.3333     0.716 
    10      10     0.0        0.0        0.498 
    11      11     0.0822     0.1644     0.797 
    12      12     0.3316     0.9223     0.804 
    13      13     0.167      0.334      0.505 
    14      14     0.0819     0.1638     0.199 
    15      15     0.5933     0.9231     0.196 
    16      16     0.3333     0.6667     0.994 
    17      17     0.5972     0.4028     0.176 
    18      18     0.7366     0.2634     0.711 
    19      19     0.3333     0.6667     0.504 
    20      20     0.8361     0.1639     0.501 
    21       1     0.8275     0.655      0.0   
    22       1     0.345      0.1725     0.0   
    23       2     0.5161     0.0322     0.5006
    24       2     0.9678     0.4839     0.5006
    25       3     0.4373     0.8746     0.001 
    26       3     0.1254     0.5627     0.001 
    27       5     0.6644     0.8322     0.7284
    28       5     0.1678     0.8322     0.7284
    29       7     0.1669     0.3338     0.2704
    30       7     0.6662     0.8331     0.2704
    31      11     0.8356     0.9178     0.797 
    32      11     0.0822     0.9178     0.797 
    33      12     0.0777     0.4093     0.804 
    34      12     0.5907     0.6684     0.804 
    35      13     0.666      0.833      0.505 
    36      13     0.167      0.833      0.505 
    37      14     0.8362     0.9181     0.199 
    38      14     0.0819     0.9181     0.199 
    39      15     0.0769     0.6702     0.196 
    40      15     0.3298     0.4067     0.196 
    41      17     0.5972     0.1944     0.176 
    42      17     0.8056     0.4028     0.176 
    43      18     0.7366     0.4732     0.711 
    44      18     0.5268     0.2634     0.711 
    45      20     0.8361     0.6722     0.501 
    46      20     0.3278     0.1639     0.501 
    47      12     0.3316     0.4093     0.804 
    48      15     0.5933     0.6702     0.196 
    49      12     0.0777     0.6684     0.804 
    50      12     0.5907     0.9223     0.804 
    51      15     0.0769     0.4067     0.196 
    52      15     0.3298     0.9231     0.196 


X-ray density (g/cm cub.)   =      4.28

MU (1/cm) =    1023.779    Mass attenuation coefficient (cm**2/g) =    239.092

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

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

    1    Ba                  3.828       13
                                                 3.1312      11
                                                 3.1184      14
                                                 2.9495      15
                                                 2.658       18
                                                 3.5584      20
                                                 3.5443      20
                                                 3.1313      11
                                                 2.9648      12
                                                 3.1185      14
                                                 2.8836      17
                                                 2.8836      17
                                                 2.9647      12
                                                 2.9495      15
    2    Ba                  3.828       12
                                                 3.2582      13
                                                 2.7534      17
                                                 3.4009      19
                                                 2.7597      12
                                                 3.2581      13
                                                 2.7755      15
                                                 2.8502      18
                                                 2.8502      18
                                                 2.9921      20
                                                 2.9921      20
                                                 2.7597      12
                                                 2.7755      15
    3    Fe                  3.132        5
                                                 1.9354      16
                                                 2.0217      12
                                                 2.0299      15
                                                 2.0216      12
                                                 2.0299      15
    4    Si                  2.64         4
                                                 1.588       10
                                                 1.6196      11
                                                 1.6196      11
                                                 1.6197      11
    5    Si                  2.64         4
                                                 1.6652      11
                                                 1.5852      13
                                                 1.6176      12
                                                 1.6177      12
    6    Si                  2.64         4
                                                 1.5546      10
                                                 1.6257      14
                                                 1.6257      14
                                                 1.6258      14
    7    Si                  2.64         4
                                                 1.6646      13
                                                 1.6604      14
                                                 1.6073      15
                                                 1.6073      15
    8    C                   2.412        3
                                                 1.2934      17
                                                 1.2926      17
                                                 1.2926      17
    9    C                   2.412        3
                                                 1.3009      18
                                                 1.3017      18
                                                 1.3017      18
   10    O                   3.804       12
                                                 2.6153      11
                                                 3.1072      13
                                                 2.612       14
                                                 3.0492      20
                                                 2.6153      11
                                                 2.6153      11
                                                 3.1072      13
                                                 3.1073      13
                                                 2.612       14
                                                 2.612       14
                                                 3.0493      20
                                                 3.0493      20
   11    O                   3.804        9
                                                 2.6153      10
                                                 2.6041      13
                                                 2.8524      14
                                                 3.374       20
                                                 2.6488      11
                                                 2.6488      11
                                                 2.6553      12
                                                 3.3741      20
                                                 2.6554      12
   12    O                   3.804        9
                                                 3.0668      16
                                                 3.4812      19
                                                 2.6553      11
                                                 2.6174      13
                                                 3.2516      18
                                                 3.3858      20
                                                 2.7271      12
                                                 2.783       12
                                                 2.7815      15
   13    O                   3.804       10
                                                 3.1072      10
                                                 2.6041      11
                                                 2.6871      14
                                                 3.0947      19
                                                 3.0785      20
                                                 2.6174      12
                                                 2.6663      15
                                                 3.0786      20
                                                 2.6174      12
                                                 2.6663      15
   14    O                   3.804        9
                                                 2.612       10
                                                 2.8524      11
                                                 2.6871      13
                                                 3.4007      20
                                                 2.6391      14
                                                 2.6391      14
                                                 2.6364      15
                                                 3.4008      20
                                                 2.6364      15
   15    O                   3.804        9
                                                 3.122       16
                                                 3.5311      19
                                                 3.3807      20
                                                 2.6663      13
                                                 2.6364      14
                                                 2.8967      17
                                                 2.7164      15
                                                 2.7815      12
                                                 2.8302      15
   16    O                   3.804       14
                                                 3.0668      12
                                                 3.122       15
                                                 3.6187      19
                                                 3.4768      19
                                                 3.0673      12
                                                 3.0678      12
                                                 3.1214      15
                                                 3.1225      15
                                                 3.0677      12
                                                 3.1224      15
                                                 3.0668      12
                                                 3.0673      12
                                                 3.1219      15
                                                 3.1215      15
   17    O                   3.804        8
                                                 2.8967      15
                                                 2.2385      17
                                                 2.2385      17
                                                 3.5451      18
                                                 3.5451      18
                                                 3.5847      20
                                                 3.5847      20
                                                 2.8968      15
   18    O                   3.804        7
                                                 2.3763      20
                                                 3.2516      12
                                                 3.5451      17
                                                 3.5451      17
                                                 2.2533      18
                                                 2.2533      18
                                                 3.2515      12
   19    H(2)O               3.972       17
                                                 3.4812      12
                                                 3.0947      13
                                                 3.5311      15
                                                 3.4768      16
                                                 3.6187      16
                                                 3.4817      12
                                                 3.4821      12
                                                 3.0947      13
                                                 3.0937      13
                                                 3.5306      15
                                                 3.5315      15
                                                 3.482       12
                                                 3.5315      15
                                                 3.4812      12
                                                 3.4817      12
                                                 3.531       15
                                                 3.5307      15
   20    Cl                  4.344       16
                                                 3.0492      10
                                                 3.374       11
                                                 3.0785      13
                                                 3.4007      14
                                                 3.3807      15
                                                 2.3763      18
                                                 3.3741      11
                                                 3.3858      12
                                                 3.0786      13
                                                 3.4008      14
                                                 3.5847      17
                                                 3.5847      17
                                                 4.2366      18
                                                 4.2366      18
                                                 3.3857      12
                                                 3.3807      15

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   1   0   0  5.518  11.036   0.054  213.32    6       25.9      170.3
    2   0   0   1  7.242  14.484   0.07   122.9     2       30.8       46.3
    3   1   0  -1  9.123  18.245   0.089   76.63    6       27.1       67.0
    4   1   0   1  9.123  18.245   0.089   76.63    6       25.3       58.5
    5   1   1   0  9.587  19.175   0.093   69.18    6       75.6      472.0
    6   2   0   0 11.088  22.176   0.108   51.18    6       81.9      410.1
    7   1   1   1 12.057  24.113   0.117   42.96   12       12.1       15.0
    8   2   0  -1 13.294  26.588   0.129   34.97    6      180.8     1364.9
    9   2   0   1 13.294  26.588   0.129   34.97    6      178.4     1328.7
   10   0   0   2 14.603  29.206   0.141   28.64    2      220.3      553.3
   11   2   1   0 14.739  29.478   0.142   28.08   12       33.3       74.3
   12   1   0  -2 15.654  31.309   0.151   24.67    6       92.2      250.5
   13   1   0   2 15.654  31.309   0.151   24.67    6       67.2      133.0
   14   2   1  -1 16.495  32.99    0.159   22.04   12      102.9      556.7
   15   2   1   1 16.495  32.99    0.159   22.04   12      110.2      639.2
   16   3   0   0 16.767  33.534   0.161   21.27    6      108.2      297.5
   17   1   1   2 17.588  35.175   0.169   19.17   12       88.5      358.3
   18   3   0  -1 18.35   36.7     0.176   17.46    6      123.2      316.5
   19   3   0   1 18.35   36.7     0.176   17.46    6      122.7      313.8
   20   2   0  -2 18.487  36.975   0.177   17.18    6      234.8     1131.0
   21   2   0   2 18.487  36.975   0.177   17.18    6      238.3     1164.3
   22   2   2   0 19.457  38.915   0.186   15.34    6      332.3     2022.5
   23   3   1   0 20.286  40.572   0.194   13.99   12       45.4       68.9
   24   2   2   1 20.865  41.729   0.199   13.14   12       67.8      144.3
   25   2   1  -2 20.988  41.977   0.2     12.96   12       45.0       62.6
   26   2   1   2 20.988  41.977   0.2     12.96   12       43.8       59.3
   27   3   1  -1 21.649  43.297   0.206   12.09   12       63.9      117.9
   28   3   1   1 21.649  43.297   0.206   12.09   12       58.0       97.1
   29   0   0   3 22.221  44.442   0.211   11.4     2       52.4       12.5
   30   3   0  -2 22.527  45.055   0.214   11.06    6      124.8      205.7
   31   3   0   2 22.527  45.055   0.214   11.06    6      120.7      192.2
   32   4   0   0 22.621  45.242   0.215   10.95    6      144.6      273.2
   33   1   0  -3 22.968  45.936   0.218   10.58    6       18.3        4.2
   34   1   0   3 22.968  45.936   0.218   10.58    6       32.4       13.3
   35   4   0  -1 23.876  47.753   0.226    9.69    6      188.6      411.8
   36   4   0   1 23.876  47.753   0.226    9.69    6      190.3      419.1
   37   1   1   3 24.408  48.816   0.231    9.22   12       19.1        8.0
   38   2   2   2 24.693  49.386   0.234    8.98   12      230.4     1138.4
   39   3   2   0 24.781  49.562   0.234    8.91   12       77.9      129.1
   40   2   0  -3 25.105  50.209   0.237    8.65    6      164.5      279.3
   41   2   0   3 25.105  50.209   0.237    8.65    6      171.4      303.4
   42   3   1  -2 25.384  50.768   0.24     8.43   12       58.6       69.2
   43   3   1   2 25.384  50.768   0.24     8.43   12       65.3       85.8
   44   3   2  -1 25.957  51.914   0.245    8.01   12       28.2       15.2
   45   3   2   1 25.957  51.914   0.245    8.01   12       15.8        4.8
   46   4   1   0 26.146  52.291   0.246    7.88   12       87.7      144.9
   47   2   1  -3 27.116  54.232   0.255    7.26   12       81.0      113.5
   48   2   1   3 27.116  54.232   0.255    7.26   12       83.5      120.9
   49   4   1  -1 27.28   54.559   0.256    7.16   12       50.0       42.7
   50   4   1   1 27.28   54.559   0.256    7.16   12       49.3       41.5
   51   4   0  -2 27.381  54.761   0.257    7.1     6       76.6       49.7
   52   4   0   2 27.381  54.761   0.257    7.1     6       70.8       42.5
   53   3   0  -3 28.401  56.803   0.266    6.53    6       94.3       69.3
   54   3   0   3 28.401  56.803   0.266    6.53    6       97.1       73.4
   55   5   0   0 28.737  57.475   0.269    6.36    6       37.0       10.4
   56   3   2  -2 29.283  58.567   0.273    6.1    12      101.4      149.5
   57   3   2   2 29.283  58.567   0.273    6.1    12      105.3      161.4
   58   5   0  -1 29.805  59.61    0.278    5.86    6      114.4       91.6
   59   5   0   1 29.805  59.61    0.278    5.86    6      125.8      110.7
   60   3   3   0 29.977  59.955   0.279    5.78    6        1.9        0.0
   61   2   2   3 30.263  60.525   0.282    5.66   12        6.7        0.6
   62   0   0   4 30.281  60.562   0.282    5.65    2      355.4      284.2
   63   4   1  -2 30.51   61.019   0.284    5.56   12       62.9       52.6
   64   4   1   2 30.51   61.019   0.284    5.56   12       57.1       43.3
   65   4   2   0 30.586  61.171   0.284    5.53   12       74.4       73.0
   66   3   1  -3 30.868  61.735   0.287    5.42   12       63.1       51.4
   67   3   1   3 30.868  61.735   0.287    5.42   12       66.9       57.8
   68   1   0  -4 30.886  61.771   0.287    5.41    6       22.1        3.2
   69   1   0   4 30.886  61.771   0.287    5.41    6       29.8        5.7
   70   3   3   1 31.018  62.037   0.288    5.36   12       23.0        6.7
   71   4   2  -1 31.615  63.23    0.293    5.14   12      141.4      245.5
   72   4   2   1 31.615  63.23    0.293    5.14   12      137.8      233.2
   73   1   1   4 32.075  64.151   0.297    4.98   12       60.6       43.7
   74   5   1   0 32.37   64.741   0.299    4.88   12       61.2       43.6
   75   4   0  -3 32.644  65.287   0.302    4.79    6       95.2       51.9
   76   4   0   3 32.644  65.287   0.302    4.79    6       87.7       44.0
   77   2   0  -4 32.661  65.323   0.302    4.79    6       88.6       44.8
   78   2   0   4 32.661  65.323   0.302    4.79    6       84.7       41.0
   79   5   0  -2 32.881  65.761   0.303    4.72    6       20.6        2.4
   80   5   0   2 32.881  65.761   0.303    4.72    6       11.3        0.7
   81   5   1  -1 33.369  66.738   0.307    4.58   12       46.5       23.6
   82   5   1   1 33.369  66.738   0.307    4.58   12       51.9       29.4
   83   3   3   2 34.032  68.065   0.313    4.39   12        2.0        0.0
   84   3   2  -3 34.37   68.741   0.316    4.3    12       29.5        8.9
   85   3   2   3 34.37   68.741   0.316    4.3    12       33.9       11.8
   86   2   1  -4 34.388  68.775   0.316    4.3    12       16.7        2.9
   87   2   1   4 34.388  68.775   0.316    4.3    12       11.5        1.4
   88   4   2  -2 34.601  69.203   0.317    4.24   12      153.9      239.8
   89   4   2   2 34.601  69.203   0.317    4.24   12      150.8      230.3
   90   6   0   0 35.237  70.473   0.323    4.09    6      194.3      184.2
   91   4   1  -3 35.499  70.998   0.325    4.03   12       36.4       12.8
   92   4   1   3 35.499  70.998   0.325    4.03   12       39.4       15.0
   93   3   0  -4 35.516  71.032   0.325    4.03    6       82.6       32.8
   94   3   0   4 35.516  71.032   0.325    4.03    6       83.5       33.5
   95   4   3   0 35.797  71.594   0.327    3.96   12       75.1       53.3
   96   6   0  -1 36.197  72.394   0.33     3.88    6       60.5       16.9
   97   6   0   1 36.197  72.394   0.33     3.88    6       46.4       10.0
   98   5   1  -2 36.284  72.567   0.331    3.86   12       15.3        2.1
   99   5   1   2 36.284  72.567   0.331    3.86   12        8.6        0.7
  100   4   3  -1 36.751  73.502   0.334    3.77   12       44.7       18.0
  101   4   3   1 36.751  73.502   0.334    3.77   12       45.2       18.4
  102   5   2   0 36.907  73.813   0.336    3.74   12       73.5       48.2
  103   2   2   4 37.181  74.362   0.338    3.69   12      226.8      452.8
  104   5   0  -3 37.713  75.426   0.342    3.59    6       90.6       35.2
  105   5   0   3 37.713  75.426   0.342    3.59    6       89.9       34.7
  106   3   1  -4 37.73   75.459   0.342    3.59   12       37.9       12.3
  107   3   1   4 37.73   75.459   0.342    3.59   12       33.9        9.8
  108   5   2  -1 37.85   75.701   0.343    3.57   12       77.8       51.6
  109   5   2   1 37.85   75.701   0.343    3.57   12       79.4       53.7
  110   3   3   3 38.803  77.605   0.35     3.42   12       22.8        4.3
  111   6   0  -2 39.023  78.046   0.352    3.39    6      137.8       76.8
  112   6   0   2 39.023  78.046   0.352    3.39    6      143.1       82.7
  113   0   0   5 39.072  78.145   0.352    3.38    2       30.1        1.2
  114   6   1   0 39.091  78.182   0.352    3.38   12       74.8       45.0
  115   4   2  -3 39.344  78.688   0.354    3.34   12      135.6      146.8
  116   4   2   3 39.344  78.688   0.354    3.34   12      135.5      146.5
  117   4   0  -4 39.36   78.721   0.355    3.34    6       60.6       14.7
  118   4   0   4 39.36   78.721   0.355    3.34    6       56.9       12.9
  119   4   3  -2 39.564  79.127   0.356    3.31   12       43.9       15.2
  120   4   3   2 39.564  79.127   0.356    3.31   12       37.3       11.0
  121   1   0  -5 39.613  79.225   0.356    3.3     6       22.0        1.9
  122   1   0   5 39.613  79.225   0.356    3.3     6       15.0        0.9
  123   6   1  -1 40.018  80.037   0.359    3.25   12       16.2        2.0
  124   6   1   1 40.018  80.037   0.359    3.25   12       26.4        5.4
  125   5   2  -2 40.639  81.278   0.364    3.18   12       67.9       35.0
  126   5   2   2 40.639  81.278   0.364    3.18   12       64.0       31.1
  127   1   1   5 40.688  81.375   0.364    3.17   12        6.1        0.3
  128   5   1  -3 40.957  81.913   0.366    3.14   12       50.0       18.8
  129   5   1   3 40.957  81.913   0.366    3.14   12       49.4       18.3
  130   3   2  -4 40.973  81.946   0.367    3.14   12       58.0       25.3
  131   3   2   4 40.973  81.946   0.367    3.14   12       58.2       25.4
  132   2   0  -5 41.223  82.445   0.368    3.11    6      101.1       38.0
  133   2   0   5 41.223  82.445   0.368    3.11    6       93.5       32.5
  134   4   4   0 41.775  83.55    0.372    3.06    6      256.8      240.9
  135   4   1  -4 42.04   84.081   0.374    3.03   12       56.0       22.8
  136   4   1   4 42.04   84.081   0.374    3.03   12       60.9       26.9
  137   5   3   0 42.308  84.616   0.376    3.01   12       42.0       12.7
  138   7   0   0 42.308  84.616   0.376    3.01    6       76.2       20.9
  139   4   4   1 42.69   85.38    0.379    2.98   12       21.7        3.3
  140   6   1  -2 42.773  85.545   0.38     2.97   12       84.5       50.7
  141   6   1   2 42.773  85.545   0.38     2.97   12       85.9       52.4
  142   2   1  -5 42.821  85.642   0.38     2.97   12       61.3       26.7
  143   2   1   5 42.821  85.642   0.38     2.97   12       58.6       24.3
  144   5   3  -1 43.221  86.442   0.383    2.94   12        1.7        0.0
  145   5   3   1 43.221  86.442   0.383    2.94   12        4.8        0.2
  146   7   0  -1 43.221  86.442   0.383    2.94    6       41.1        5.9
  147   7   0   1 43.221  86.442   0.383    2.94    6       38.8        5.3
  148   6   0  -3 43.618  87.237   0.386    2.91    6       19.9        1.4
  149   6   0   3 43.618  87.237   0.386    2.91    6       24.4        2.1
  150   3   0  -5 43.882  87.765   0.387    2.89    6       68.8       16.4
  151   3   0   5 43.882  87.765   0.387    2.89    6       68.2       16.1
  152   6   2   0 43.901  87.802   0.388    2.89   12       42.1       12.2
  153   4   3  -3 44.149  88.297   0.389    2.88   12       52.0       18.6
  154   4   3   3 44.149  88.297   0.389    2.88   12       54.6       20.5
  155   5   0  -4 44.165  88.329   0.389    2.87    6       22.2        1.7
  156   5   0   4 44.165  88.329   0.389    2.87    6       27.3        2.5
  157   6   2  -1 44.812  89.623   0.394    2.84   12       67.3       30.7
  158   6   2   1 44.812  89.623   0.394    2.84   12       66.8       30.3


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (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   5.518  11.036  9.30189      170.3      6.3      6.4     5.6
    2   0   0   1   7.242  14.484  7.0955        46.3      1.7      1.7     5.6
    3   1   0   1   9.123  18.245  5.64155      125.5      4.7      4.7     5.6
    4   1   1   0   9.587  19.175  5.37045      472.0     17.5     17.6     5.6
    5   2   0   0  11.088  22.176  4.65095      410.1     15.2     15.3     5.6
    6   2   0   1  13.294  26.588  3.88979     2693.7    100.0    100.0     5.6
    7   0   0   2  14.603  29.206  3.54775      553.3     20.5     20.5     5.6
    8   2   1   0  14.739  29.478  3.51578       74.3      2.8      2.8     5.6
    9   1   0   2  15.654  31.309  3.31483      383.5     14.2     14.2     5.6
   10   2   1   1  16.495  32.99   3.15027     1195.9     44.4     44.2     5.6
   11   3   0   0  16.767  33.534  3.10063      297.5     11.0     11.0     5.7
   12   1   1   2  17.588  35.175  2.96016      358.3     13.3     13.2     5.7
   13   3   0   1  18.35   36.7    2.8412       630.3     23.4     23.2     5.7
   14   2   0   2  18.487  36.975  2.82077     2295.3     85.2     84.5     5.7
   15   2   2   0  19.457  38.915  2.68523     2022.5     75.1     74.3     5.7
   16   3   1   0  20.286  40.572  2.57988       68.9      2.6      2.5     5.7
   17   2   2   1  20.865  41.729  2.5114       144.3      5.4      5.3     5.7
   18   2   1   2  20.988  41.977  2.49726      121.9      4.5      4.5     5.7
   19   3   1   1  21.649  43.297  2.42459      215.1      8.0      7.9     5.7
   20   3   0   2  22.527  45.055  2.33465      397.9     14.8     14.5     5.7
   21   4   0   0  22.621  45.242  2.32547      273.2     10.1     10.0     5.7
   22   4   0   1  23.876  47.753  2.20982      830.8     30.8     30.2     5.7
   23   2   2   2  24.693  49.386  2.14109     1138.4     42.3     41.3     5.7
   24   3   2   0  24.781  49.562  2.134        129.1      4.8      4.7     5.7
   25   2   0   3  25.105  50.209  2.10822      582.7     21.6     21.1     5.8
   26   3   1   2  25.384  50.768  2.08653      154.9      5.8      5.6     5.8
   27   4   1   0  26.146  52.291  2.02984      144.9      5.4      5.2     5.8
   28   2   1   3  27.116  54.232  1.96243      234.4      8.7      8.5     5.8
   29   4   1   1  27.28   54.559  1.95155       84.2      3.1      3.0     5.8
   30   4   0   2  27.381  54.761  1.9449        92.1      3.4      3.3     5.8
   31   3   0   3  28.401  56.803  1.88052      142.7      5.3      5.1     5.8
   32   3   2   2  29.283  58.567  1.82867      310.9     11.5     11.2     5.8
   33   5   0   1  29.805  59.61   1.79955      202.3      7.5      7.2     5.8
   34   0   0   4  30.281  60.562  1.77387      284.2     10.5     10.2     5.8
   35   4   1   2  30.51   61.019  1.76185       95.8      3.6      3.4     5.8
   36   4   2   0  30.586  61.171  1.75789       73.0      2.7      2.6     5.8
   37   3   1   3  30.868  61.735  1.7434       118.2      4.4      4.2     5.8
   38   4   2   1  31.615  63.23   1.70631      478.7     17.8     17.1     5.9
   39   1   1   4  32.075  64.151  1.68437       43.7      1.6      1.6     5.9
   40   5   1   0  32.37   64.741  1.67067       43.6      1.6      1.6     5.9
   41   4   0   3  32.644  65.287  1.65821      181.8      6.7      6.5     5.9
   42   5   1   1  33.369  66.738  1.6262        53.0      2.0      1.9     5.9
   43   4   2   2  34.601  69.203  1.57513      470.1     17.5     16.6     5.9
   44   6   0   0  35.237  70.473  1.55032      184.2      6.8      6.5     5.9
   45   3   0   4  35.516  71.032  1.53971       94.0      3.5      3.3     5.9
   46   4   3   0  35.797  71.594  1.52922       53.3      2.0      1.9     5.9
   47   4   3   1  36.751  73.502  1.4949        36.4      1.4      1.3     6.0
   48   5   2   0  36.907  73.813  1.48949       48.2      1.8      1.7     6.0
   49   2   2   4  37.181  74.362  1.48008      452.8     16.8     15.8     6.0
   50   5   0   3  37.713  75.426  1.46224       92.0      3.4      3.2     6.0
   51   5   2   1  37.85   75.701  1.45772      105.3      3.9      3.7     6.0
   52   6   0   2  39.023  78.046  1.4206       159.5      5.9      5.5     6.0
   53   6   1   0  39.091  78.182  1.41853       46.3      1.7      1.6     6.0
   54   4   2   3  39.344  78.688  1.41088      320.9     11.9     11.1     6.0
   55   5   2   2  40.639  81.278  1.37337       66.1      2.5      2.3     6.1
   56   3   2   4  40.973  81.946  1.36413       87.7      3.3      3.0     6.1
   57   2   0   5  41.223  82.445  1.35732       70.5      2.6      2.4     6.1
   58   4   4   0  41.775  83.55   1.34261      240.9      8.9      8.2     6.1
   59   4   1   4  42.04   84.081  1.33571       49.6      1.8      1.7     6.1
   60   7   0   0  42.308  84.616  1.32884       33.6      1.2      1.1     6.1
   61   6   1   2  42.773  85.545  1.31714      103.1      3.8      3.5     6.1
   62   2   1   5  42.821  85.642  1.31594       51.0      1.9      1.7     6.1
   63   3   0   5  43.882  87.765  1.29037       44.7      1.7      1.5     6.2
   64   4   3   3  44.149  88.297  1.28418       43.3      1.6      1.5     6.2
   65   6   2   1  44.812  89.623  1.26914       61.0      2.3      2.1     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)