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       ***
                  ***********************
POUDRETTEITE

1, t-osumilite

KNa(2)B(3)Si(12)O(30)


Hexagonal  P 6/mcc  Z = 2

R =0.03

29 .3 .1988

Ref.Str.:

         Grice Joel D., Ercit T.  Scott, Van Velthuizen Jerry (1987)

         * Canad. Mineral., V25, 763-766

                   Initial data from BDM-file 

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

             a =  10.239    alpha =   90.0 
             b =  10.239    beta  =   90.0 
             c =  13.485    gamma =  120.0 

    Unit cell volume (cub. angs.) =  1224.32

    Molar volume ( cub.cm/mol.) =   368.73

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

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

   1 0.0     0.0     0.25     0.0    K     = 1.00
   2 0.3333  0.6667  0.25     0.0    Na    = 1.00
   3 0.0     0.5     0.25     0.0    B     = 1.00
   4 0.0695  0.3376  0.1133   0.0    Si    = 1.00
   5 0.0821  0.3921  0.0      0.0    O     = 1.00
   6 0.1892  0.282   0.1333   0.0    O     = 1.00
   7 0.1004  0.471   0.1873   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.25  
     2       2     0.3333     0.6667     0.25  
     3       3     0.0        0.5        0.25  
     4       4     0.0695     0.3376     0.1133
     5       5     0.0821     0.3921     0.0   
     6       6     0.1892     0.282      0.1333
     7       7     0.1004     0.471      0.1873
     8       3     0.5        0.5        0.25  
     9       3     0.5        0.0        0.25  
    10       4     0.6624     0.7319     0.1133
    11       4     0.2681     0.9305     0.1133
    12       5     0.6079     0.69       0.0   
    13       5     0.31       0.9179     0.0   
    14       6     0.718      0.9072     0.1333
    15       6     0.0928     0.8108     0.1333
    16       7     0.529      0.6294     0.1873
    17       7     0.3706     0.8996     0.1873
    18       2     0.6667     0.3333     0.25  
    19       4     0.9305     0.6624     0.1133
    20       5     0.9179     0.6079     0.0   
    21       6     0.8108     0.718      0.1333
    22       7     0.8996     0.529      0.1873
    23       4     0.3376     0.2681     0.1133
    24       4     0.7319     0.0695     0.1133
    25       5     0.3921     0.31       0.0   
    26       5     0.69       0.0821     0.0   
    27       6     0.282      0.0928     0.1333
    28       6     0.9072     0.1892     0.1333
    29       7     0.471      0.3706     0.1873
    30       7     0.6294     0.1004     0.1873
    31       1     0.0        0.0        0.75  
    32       2     0.3333     0.6667     0.75  
    33       3     0.0        0.5        0.75  
    34       4     0.0695     0.7319     0.6133
    35       5     0.0821     0.69       0.5   
    36       6     0.1892     0.9072     0.6333
    37       7     0.1004     0.6294     0.6873
    38       3     0.5        0.0        0.75  
    39       3     0.5        0.5        0.75  
    40       4     0.6624     0.9305     0.6133
    41       4     0.2681     0.3376     0.6133
    42       5     0.6079     0.9179     0.5   
    43       5     0.31       0.3921     0.5   
    44       6     0.718      0.8108     0.6333
    45       6     0.0928     0.282      0.6333
    46       7     0.529      0.8996     0.6873
    47       7     0.3706     0.471      0.6873
    48       2     0.6667     0.3333     0.75  
    49       4     0.9305     0.2681     0.6133
    50       5     0.9179     0.31       0.5   
    51       6     0.8108     0.0928     0.6333
    52       7     0.8996     0.3706     0.6873
    53       4     0.3376     0.0695     0.6133
    54       4     0.7319     0.6624     0.6133
    55       5     0.3921     0.0821     0.5   
    56       5     0.69       0.6079     0.5   
    57       6     0.282      0.1892     0.6333
    58       6     0.9072     0.718      0.6333
    59       7     0.471      0.1004     0.6873
    60       7     0.6294     0.529      0.6873
    61       4     0.0695     0.3376     0.8867
    62       6     0.1892     0.282      0.8667
    63       7     0.1004     0.471      0.8127
    64       4     0.6624     0.7319     0.8867
    65       4     0.2681     0.9305     0.8867
    66       6     0.718      0.9072     0.8667
    67       6     0.0928     0.8108     0.8667
    68       7     0.529      0.6294     0.8127
    69       7     0.3706     0.8996     0.8127
    70       4     0.9305     0.6624     0.8867
    71       6     0.8108     0.718      0.8667
    72       7     0.8996     0.529      0.8127
    73       4     0.3376     0.2681     0.8867
    74       4     0.7319     0.0695     0.8867
    75       6     0.282      0.0928     0.8667
    76       6     0.9072     0.1892     0.8667
    77       7     0.471      0.3706     0.8127
    78       7     0.6294     0.1004     0.8127
    79       4     0.0695     0.7319     0.3867
    80       6     0.1892     0.9072     0.3667
    81       7     0.1004     0.6294     0.3127
    82       4     0.6624     0.9305     0.3867
    83       4     0.2681     0.3376     0.3867
    84       6     0.718      0.8108     0.3667
    85       6     0.0928     0.282      0.3667
    86       7     0.529      0.8996     0.3127
    87       7     0.3706     0.471      0.3127
    88       4     0.9305     0.2681     0.3867
    89       6     0.8108     0.0928     0.3667
    90       7     0.8996     0.3706     0.3127
    91       4     0.3376     0.0695     0.3867
    92       4     0.7319     0.6624     0.3867
    93       6     0.282      0.1892     0.3667
    94       6     0.9072     0.718      0.3667
    95       7     0.471      0.1004     0.3127
    96       7     0.6294     0.529      0.3127


X-ray density (g/cm cub.)   =      2.53

MU (1/cm) =      89.476    Mass attenuation coefficient (cm**2/g) =     35.309

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

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

    1    K                   3.228       12
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
                                                 2.9955       6
    2    Na                  2.808        6
                                                 2.3746       7
                                                 2.3747       7
                                                 2.3745       7
                                                 2.3745       7
                                                 2.3746       7
                                                 2.3746       7
    3    B                   1.872        4
                                                 1.4714       7
                                                 1.4714       7
                                                 1.4714       7
                                                 1.4714       7
    4    Si                  2.1          4
                                                 1.6098       5
                                                 1.6112       6
                                                 1.5901       7
                                                 1.6182       6
    5    O                   3.264        6
                                                 2.6345       6
                                                 2.6298       7
                                                 2.6522       6
                                                 2.6345       6
                                                 2.6298       7
                                                 2.6522       6
    6    O                   3.264        7
                                                 2.6345       5
                                                 2.6194       7
                                                 2.6521       5
                                                 2.5487       6
                                                 2.5489       6
                                                 2.6572       7
                                                 3.0746       7
    7    O                   3.264        8
                                                 2.6298       5
                                                 2.6194       6
                                                 2.4085       7
                                                 2.6573       6
                                                 2.3431       7
                                                 3.0745       6
                                                 3.2425       7
                                                 2.4556       7

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

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

    1   1   0   0  4.983   9.967   0.056  262.06    6       35.9      135.1
    2   0   0   2  6.56   13.12    0.074  150.28    2      114.3      262.1
    3   1   0   2  8.251  16.503   0.093   94.16   12       19.2       27.9
    4   1   1   0  8.654  17.307   0.098   85.41    6      176.8     1069.0
    5   2   0   0 10.005  20.01    0.113   63.34    6       41.9       44.6
    6   1   1   2 10.89   21.779   0.123   53.14   12       89.4      340.2
    7   2   0   2 12.001  24.002   0.135   43.38   12       83.4      241.5
    8   0   0   4 13.208  26.416   0.148   35.46    2      242.1      277.3
    9   2   1   0 13.287  26.574   0.149   35.01   12        8.3        1.9
   10   2   1   1 13.699  27.398   0.154   32.82   24      134.9      956.2
   11   1   0   4 14.149  28.298   0.159   30.64   12       73.2      131.4
   12   2   1   2 14.872  29.744   0.167   27.55   24       10.6        4.9
   13   3   0   0 15.106  30.212   0.169   26.64    6      182.0      353.1
   14   1   1   4 15.877  31.754   0.178   23.93   12      176.1      594.1
   15   3   0   2 16.532  33.063   0.185   21.93   12        9.7        1.6
   16   2   1   3 16.66   33.319   0.186   21.57   24       61.0      128.7
   17   2   0   4 16.681  33.361   0.186   21.51   12      147.6      375.2
   18   2   2   0 17.513  35.026   0.195   19.35    6       71.2       39.3
   19   3   1   0 18.253  36.505   0.203   17.67   12       86.0      104.6
   20   3   1   1 18.565  37.129   0.207   17.02   24       57.0       88.6
   21   2   2   2 18.776  37.553   0.209   16.6    12       79.7       84.5
   22   2   1   4 18.91   37.82    0.21    16.34   24       33.9       30.1
   23   3   1   2 19.475  38.95    0.216   15.31   24       15.0        5.5
   24   0   0   6 20.043  40.086   0.222   14.37    2       21.3        0.9
   25   3   0   4 20.278  40.557   0.225   14.0    12       10.8        1.3
   26   4   0   0 20.333  40.666   0.226   13.91    6       35.0        6.8
   27   1   0   6 20.706  41.411   0.23    13.36   12       32.6       11.4
   28   3   1   3 20.917  41.835   0.232   13.06   24       40.2       33.8
   29   4   0   2 21.455  42.91    0.237   12.34   12       19.5        3.7
   30   2   1   5 21.506  43.012   0.238   12.27   24       22.8       10.2
   31   1   1   6 21.981  43.962   0.243   11.69   12       58.6       32.1
   32   2   2   4 22.2    44.399   0.245   11.43   12       16.5        2.5
   33   3   2   0 22.25   44.5     0.246   11.37   12        7.8        0.6
   34   3   2   1 22.516  45.031   0.249   11.07   24       81.3      117.2
   35   2   0   6 22.597  45.194   0.249   10.98   12       18.7        3.1
   36   3   1   4 22.811  45.622   0.252   10.75   24       68.9       81.7
   37   3   2   2 23.298  46.595   0.257   10.25   24       29.0       13.8
   38   4   1   0 23.458  46.916   0.258   10.09   12       70.9       40.6
   39   4   1   1 23.713  47.426   0.261    9.84   24       36.0       20.4
   40   2   1   6 24.372  48.744   0.268    9.25   24        3.7        0.2
   41   4   1   2 24.466  48.931   0.269    9.17   24       85.8      108.2
   42   3   2   3 24.558  49.117   0.27     9.09   24       51.3       38.2
   43   4   0   4 24.574  49.147   0.27     9.08   12       12.3        1.1
   44   3   1   5 25.079  50.159   0.275    8.67   24      113.1      177.4
   45   3   0   6 25.503  51.005   0.279    8.34   12       87.8       51.5
   46   4   1   3 25.683  51.367   0.281    8.21   24       12.7        2.1
   47   5   0   0 25.743  51.487   0.282    8.17    6      179.8      105.6
   48   3   2   4 26.247  52.494   0.287    7.81   24       15.7        3.1
   49   5   0   2 26.687  53.374   0.292    7.52   12        6.6        0.3
   50   3   3   0 26.832  53.665   0.293    7.43    6       18.8        1.1
   51   2   2   6 27.135  54.27    0.296    7.24   12       77.3       34.6
   52   0   0   8 27.192  54.384   0.297    7.21    2      275.4       73.0
   53   4   1   4 27.322  54.644   0.298    7.13   24       91.8       96.2
   54   4   2   0 27.365  54.731   0.298    7.11   12       49.0       13.7
   55   2   1   7 27.464  54.929   0.299    7.05   24       13.4        2.0
   56   4   2   1 27.594  55.187   0.301    6.97   24      113.6      144.1
   57   3   1   6 27.664  55.328   0.301    6.93   24       15.3        2.6
   58   1   0   8 27.72   55.44    0.302    6.9    12       74.1       30.4
   59   3   3   2 27.75   55.5     0.302    6.88   12       36.5        7.3
   60   4   2   2 28.271  56.543   0.307    6.6    24       33.1       11.6
   61   3   2   5 28.313  56.626   0.308    6.58   24       30.3        9.7
   62   1   1   8 28.757  57.515   0.312    6.35   12       55.0       15.4
   63   5   1   0 28.925  57.85    0.314    6.27   12       32.8        5.4
   64   5   1   1 29.145  58.29    0.316    6.16   24       27.5        7.5
   65   4   0   6 29.213  58.426   0.317    6.13   12       67.8       22.5
   66   2   0   8 29.267  58.534   0.317    6.1    12       96.4       45.4
   67   4   1   5 29.336  58.673   0.318    6.07   24       64.0       39.8
   68   4   2   3 29.378  58.756   0.318    6.05   24       56.3       30.7
   69   5   0   4 29.391  58.783   0.319    6.05   12      113.4       62.2
   70   5   1   2 29.8    59.6     0.323    5.86   24       15.4        2.2
   71   3   3   4 30.392  60.784   0.328    5.61   12       63.0       17.8
   72   3   1   7 30.525  61.05    0.33     5.55   24       11.1        1.1
   73   3   2   6 30.712  61.424   0.332    5.48   24       35.8       11.3
   74   2   1   8 30.765  61.529   0.332    5.46   24        2.1        0.0
   75   5   1   3 30.872  61.744   0.333    5.42   24       37.5       12.2
   76   4   2   4 30.885  61.77    0.333    5.41   24        2.3        0.0
   77   6   0   0 31.413  62.827   0.338    5.21    6       22.3        1.0
   78   4   1   6 31.688  63.376   0.341    5.11   24        9.5        0.7
   79   3   0   8 31.739  63.479   0.341    5.1    12      146.1       87.1
   80   4   3   0 31.897  63.795   0.343    5.04   12       10.2        0.4
   81   4   3   1 32.105  64.211   0.345    4.97   24       54.2       23.3
   82   6   0   2 32.248  64.496   0.346    4.92   12       71.6       20.2
   83   5   1   4 32.338  64.676   0.347    4.89   24        7.4        0.4
   84   4   3   2 32.725  65.45    0.351    4.77   24       44.8       15.3
   85   4   2   5 32.763  65.526   0.351    4.76   24      117.2      104.6
   86   5   2   0 32.853  65.707   0.352    4.73   12      127.1       61.1
   87   5   2   1 33.058  66.116   0.354    4.67   24       43.1       13.9
   88   2   2   8 33.172  66.344   0.355    4.63   12       89.4       29.6
   89   3   2   7 33.414  66.828   0.357    4.56   24       41.1       12.4
   90   5   0   6 33.592  67.184   0.359    4.51   12        3.0        0.0
   91   3   1   8 33.642  67.284   0.36     4.5    24       43.5       13.6
   92   5   2   2 33.669  67.337   0.36     4.49   24       20.0        2.9
   93   4   3   3 33.745  67.489   0.361    4.47   24       41.3       12.2
   94   5   1   5 34.173  68.346   0.365    4.35   24        3.0        0.1
   95   2   1   9 34.272  68.545   0.366    4.33   24       75.2       39.1
   96   4   1   7 34.348  68.697   0.366    4.31   24       64.0       28.2
   97   3   3   6 34.524  69.048   0.368    4.26   12       60.4       12.5
   98   5   2   3 34.674  69.349   0.369    4.22   24       20.4        2.8
   99   6   0   4 34.687  69.374   0.369    4.22   12       97.3       32.0
  100   6   1   0 34.725  69.449   0.37     4.21   12       86.2       25.1
  101   0   0  10 34.835  69.67    0.371    4.18    2      126.0        8.9
  102   6   1   1 34.924  69.848   0.372    4.16   24      102.8       70.4
  103   4   2   6 34.986  69.971   0.372    4.15   24       43.8       12.7
  104   4   0   8 35.035  70.069   0.373    4.14   12       37.0        4.5
  105   4   3   4 35.147  70.295   0.374    4.11   24       23.2        3.6
  106   1   0  10 35.295  70.589   0.375    4.08   12       25.9        2.2
  107   6   1   2 35.519  71.038   0.377    4.02   24       25.2        4.1
  108   5   2   4 36.061  72.122   0.382    3.91   24       66.1       27.3
  109   1   1  10 36.206  72.413   0.383    3.88   12      104.9       34.1
  110   5   1   6 36.355  72.709   0.385    3.85   24        7.9        0.4
  111   3   2   8 36.403  72.806   0.385    3.84   24       17.4        1.9
  112   6   1   3 36.502  73.004   0.386    3.82   24       85.7       44.9
  113   2   0  10 36.659  73.318   0.388    3.79   12       13.3        0.5
  114   4   3   5 36.916  73.832   0.39     3.74   24       43.0       11.1
  115   4   4   0 37.002  74.004   0.391    3.72    6       26.7        1.1
  116   3   1   9 37.012  74.025   0.391    3.72   24      118.1       83.0
  117   4   1   8 37.304  74.608   0.393    3.66   24       21.5        2.7
  118   5   3   0 37.451  74.901   0.395    3.64   12       76.7       17.1
  119   7   0   0 37.451  74.901   0.395    3.64    6       93.8       12.8
  120   4   2   7 37.534  75.069   0.395    3.62   24       55.8       18.1
  121   5   3   1 37.644  75.288   0.396    3.6    24        4.8        0.1
  122   4   4   2 37.777  75.554   0.398    3.58   12       35.6        3.6
  123   5   2   5 37.813  75.625   0.398    3.58   24       12.6        0.9
  124   6   1   4 37.861  75.722   0.398    3.57   24       40.4        9.3
  125   2   1  10 38.004  76.008   0.4      3.54   24       18.9        2.0
  126   5   3   2 38.222  76.445   0.402    3.51   24        0.7        0.0
  127   7   0   2 38.222  76.445   0.402    3.51   12        6.5        0.1
  128   6   0   6 38.594  77.188   0.405    3.45   12       53.8        8.0
  129   6   2   0 38.786  77.572   0.407    3.42   12       70.2       13.5
  130   5   1   7 38.869  77.738   0.407    3.41   24       37.0        7.5
  131   3   0  10 38.892  77.784   0.408    3.41   12       41.4        4.7
  132   6   2   1 38.977  77.955   0.408    3.39   24       66.5       24.0
  133   4   3   6 39.036  78.073   0.409    3.38   24        2.2        0.0
  134   5   0   8 39.084  78.167   0.409    3.38   12       73.9       14.8
  135   5   3   3 39.18   78.36    0.41     3.36   24        3.6        0.1
  136   6   2   2 39.55   79.099   0.413    3.31   24       35.0        6.5
  137   6   1   5 39.585  79.17    0.414    3.31   24      136.0       98.0
  138   3   2   9 39.679  79.358   0.414    3.3    24       20.4        2.2
  139   5   2   6 39.918  79.835   0.417    3.27   24       92.1       44.3
  140   3   3   8 39.964  79.929   0.417    3.26   12       30.6        2.4
  141   4   4   4 40.072  80.144   0.418    3.25   12      168.8       74.1
  142   2   2  10 40.213  80.426   0.419    3.23   12       93.0       22.4
  143   4   2   8 40.403  80.806   0.421    3.21   24       85.6       37.6
  144   6   2   3 40.499  80.997   0.422    3.19   24       89.2       40.7
  145   5   3   4 40.51   81.021   0.422    3.19   24       36.2        6.7
  146   7   0   4 40.51   81.021   0.422    3.19   12       52.6        7.1
  147   4   1   9 40.557  81.113   0.422    3.19   24       39.3        7.9
  148   3   1  10 40.651  81.302   0.423    3.18   24        9.9        0.5
  149   7   1   0 40.983  81.967   0.426    3.14   12       30.0        2.3
  150   7   1   1 41.172  82.344   0.427    3.12   24       11.3        0.6
  151   4   3   7 41.501  83.002   0.43     3.09   24       11.6        0.7
  152   6   1   6 41.666  83.332   0.432    3.07   24        4.9        0.1
  153   5   1   8 41.713  83.425   0.432    3.07   24       23.1        2.6
  154   7   1   2 41.737  83.475   0.432    3.06   24       14.4        1.0
  155   6   2   4 41.819  83.639   0.433    3.06   24       21.4        2.2
  156   4   0  10 41.959  83.918   0.434    3.04   12       44.2        4.8
  157   2   1  11 41.994  83.987   0.434    3.04   24       65.0       20.5
  158   5   3   5 42.207  84.414   0.436    3.02   24        8.2        0.3
  159   5   2   7 42.371  84.742   0.437    3.01   24       34.9        5.9
  160   7   1   3 42.676  85.353   0.44     2.98   24       36.8        6.5
  161   5   4   0 42.724  85.447   0.44     2.98   12       42.7        4.4
  162   5   4   1 42.911  85.822   0.442    2.96   24       13.3        0.8
  163   3   2  10 43.261  86.521   0.445    2.93   24       42.8        8.6
  164   0   0  12 43.271  86.543   0.445    2.93    2       79.2        2.5
  165   5   4   2 43.473  86.946   0.447    2.92   24       15.6        1.1
  166   6   2   5 43.508  87.015   0.447    2.92   24       40.9        7.8
  167   6   3   0 43.59   87.18    0.448    2.91   12        1.4        0.0
  168   4   2   9 43.6    87.201   0.448    2.91   24      117.9       64.8
  169   1   0  12 43.704  87.409   0.448    2.9    12       26.0        1.6
  170   6   3   1 43.777  87.554   0.449    2.9    24       38.3        6.8
  171   4   4   6 43.835  87.67    0.45     2.89   12        1.6        0.0
  172   6   0   8 43.881  87.763   0.45     2.89   12        2.3        0.0
  173   7   1   4 43.987  87.975   0.451    2.89   24       48.8       11.0
  174   8   0   0 44.023  88.046   0.451    2.88    6       20.1        0.5
  175   6   1   7 44.104  88.208   0.452    2.88   24       61.6       17.5
  176   4   1  10 44.126  88.252   0.452    2.88   24       31.4        4.5
  177   5   3   6 44.268  88.535   0.453    2.87   24        7.0        0.2
  178   7   0   6 44.268  88.535   0.453    2.87   12        8.8        0.2
  179   4   3   8 44.314  88.628   0.453    2.87   24       62.6       18.0
  180   6   3   2 44.338  88.677   0.454    2.86   24       73.4       24.7
  181   5   4   3 44.408  88.817   0.454    2.86   24        2.9        0.0
  182   1   1  12 44.57   89.139   0.456    2.85   12       82.7       15.6
  183   3   1  11 44.593  89.187   0.456    2.85   24       21.5        2.1
  184   8   0   2 44.771  89.542   0.457    2.84   12       50.4        5.8
  185   5   1   9 44.898  89.796   0.458    2.83   24       28.9        3.8


  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   4.983   9.967  8.86723      135.1     12.6     12.7     5.6
    2   0   0   2   6.56   13.12   6.7425       262.1     24.5     24.6     5.6
    3   1   0   2   8.251  16.503  5.36713       27.9      2.6      2.6     5.6
    4   1   1   0   8.654  17.307  5.1195      1069.0    100.0    100.0     5.6
    5   2   0   0  10.005  20.01   4.43362       44.6      4.2      4.2     5.6
    6   1   1   2  10.89   21.779  4.07735      340.2     31.8     31.7     5.6
    7   2   0   2  12.001  24.002  3.70448      241.5     22.6     22.5     5.6
    8   0   0   4  13.208  26.416  3.37125      277.3     25.9     25.8     5.6
    9   2   1   1  13.699  27.398  3.25255      956.2     89.4     88.8     5.6
   10   1   0   4  14.149  28.298  3.15119      131.4     12.3     12.2     5.6
   11   3   0   0  15.106  30.212  2.95574      353.1     33.0     32.7     5.6
   12   1   1   4  15.877  31.754  2.8156       594.1     55.6     55.0     5.6
   13   2   0   4  16.681  33.361  2.68357      503.9     47.1     46.6     5.7
   14   2   2   0  17.513  35.026  2.55975       39.3      3.7      3.6     5.7
   15   3   1   0  18.253  36.505  2.45933      104.6      9.8      9.6     5.7
   16   3   1   1  18.565  37.129  2.41942       88.6      8.3      8.2     5.7
   17   2   2   2  18.776  37.553  2.3931        84.5      7.9      7.8     5.7
   18   2   1   4  18.91   37.82   2.37682       30.1      2.8      2.8     5.7
   19   1   0   6  20.706  41.411  2.17861       11.4      1.1      1.0     5.7
   20   3   1   3  20.917  41.835  2.15752       33.8      3.2      3.1     5.7
   21   1   1   6  21.981  43.962  2.05792       32.1      3.0      2.9     5.7
   22   3   2   1  22.516  45.031  2.01152      117.2     11.0     10.7     5.7
   23   3   1   4  22.811  45.622  1.98684       81.7      7.6      7.5     5.7
   24   3   2   2  23.298  46.595  1.94757       13.8      1.3      1.3     5.7
   25   4   1   0  23.458  46.916  1.93499       40.6      3.8      3.7     5.7
   26   4   1   1  23.713  47.426  1.91537       20.4      1.9      1.9     5.7
   27   4   1   2  24.466  48.931  1.85991      108.2     10.1      9.8     5.7
   28   3   2   3  24.558  49.117  1.85332       39.3      3.7      3.6     5.7
   29   3   1   5  25.079  50.159  1.81723      177.4     16.6     16.1     5.7
   30   3   0   6  25.503  51.005  1.78904       51.5      4.8      4.7     5.8
   31   5   0   0  25.743  51.487  1.77345      105.6      9.9      9.6     5.8
   32   2   2   6  27.135  54.27   1.68889       34.6      3.2      3.1     5.8
   33   0   0   8  27.192  54.384  1.68562       73.0      6.8      6.6     5.8
   34   4   1   4  27.322  54.644  1.6782        96.2      9.0      8.7     5.8
   35   4   2   0  27.365  54.731  1.67575       13.7      1.3      1.2     5.8
   36   4   2   1  27.594  55.187  1.66296      144.1     13.5     13.0     5.8
   37   1   0   8  27.72   55.44   1.65597       30.4      2.8      2.7     5.8
   38   4   2   2  28.271  56.543  1.62627       11.6      1.1      1.0     5.8
   39   1   1   8  28.757  57.515  1.60107       15.4      1.4      1.4     5.8
   40   4   0   6  29.213  58.426  1.57826       22.5      2.1      2.0     5.8
   41   2   0   8  29.267  58.534  1.57559       45.4      4.2      4.1     5.8
   42   4   1   5  29.336  58.673  1.5722        39.8      3.7      3.6     5.8
   43   5   0   4  29.391  58.783  1.56953       93.0      8.7      8.3     5.8
   44   3   3   4  30.392  60.784  1.52255       17.8      1.7      1.6     5.8
   45   3   2   6  30.712  61.424  1.50822       11.3      1.1      1.0     5.8
   46   5   1   3  30.872  61.744  1.50116       12.2      1.1      1.1     5.8
   47   3   0   8  31.739  63.479  1.46425       87.1      8.1      7.8     5.9
   48   4   3   1  32.105  64.211  1.44932       23.3      2.2      2.1     5.9
   49   6   0   2  32.248  64.496  1.4436        20.2      1.9      1.8     5.9
   50   4   3   2  32.725  65.45   1.42484       15.3      1.4      1.4     5.9
   51   4   2   5  32.763  65.526  1.42337      104.6      9.8      9.3     5.9
   52   5   2   0  32.853  65.707  1.41989       61.1      5.7      5.4     5.9
   53   5   2   1  33.058  66.116  1.41209       13.9      1.3      1.2     5.9
   54   2   2   8  33.172  66.344  1.4078        29.6      2.8      2.6     5.9
   55   3   2   7  33.414  66.828  1.39877       12.4      1.2      1.1     5.9
   56   3   1   8  33.642  67.284  1.39039       16.5      1.5      1.5     5.9
   57   4   3   3  33.745  67.489  1.38667       12.2      1.1      1.1     5.9
   58   2   1   9  34.272  68.545  1.36786       39.1      3.7      3.5     5.9
   59   4   1   7  34.348  68.697  1.36521       28.2      2.6      2.5     5.9
   60   3   3   6  34.524  69.048  1.35912       12.5      1.2      1.1     5.9
   61   6   0   4  34.687  69.374  1.35353       34.8      3.3      3.1     5.9
   62   6   1   0  34.725  69.449  1.35224       25.1      2.3      2.2     5.9
   63   6   1   1  34.924  69.848  1.34549       70.4      6.6      6.2     5.9
   64   4   2   6  34.986  69.971  1.34343       12.7      1.2      1.1     5.9
   65   5   2   4  36.061  72.122  1.30857       27.3      2.6      2.4     5.9
   66   1   1  10  36.206  72.413  1.30402       34.1      3.2      3.0     5.9
   67   6   1   3  36.502  73.004  1.29491       44.9      4.2      3.9     6.0
   68   4   3   5  36.916  73.832  1.28242       11.1      1.0      1.0     6.0
   69   3   1   9  37.012  74.025  1.27956       84.1      7.9      7.4     6.0
   70   5   3   0  37.451  74.901  1.26675       30.0      2.8      2.6     6.0
   71   4   2   7  37.534  75.069  1.26434       18.1      1.7      1.6     6.0
   72   6   2   0  38.786  77.572  1.22966       13.5      1.3      1.2     6.0
   73   5   1   7  38.869  77.738  1.22746       12.1      1.1      1.1     6.0
   74   6   2   1  38.977  77.955  1.22458       24.0      2.2      2.1     6.0
   75   5   0   8  39.084  78.167  1.22178       14.8      1.4      1.3     6.0
   76   6   1   5  39.585  79.17   1.20881       98.0      9.2      8.5     6.0
   77   5   2   6  39.918  79.835  1.2004        44.3      4.1      3.8     6.0
   78   4   4   4  40.072  80.144  1.19655       74.1      6.9      6.4     6.0
   79   2   2  10  40.213  80.426  1.19307       22.4      2.1      1.9     6.0
   80   4   2   8  40.403  80.806  1.18841       37.6      3.5      3.2     6.1
   81   6   2   3  40.499  80.997  1.18608       54.5      5.1      4.7     6.1
   82   2   1  11  41.994  83.987  1.15131       20.5      1.9      1.8     6.1
   83   3   2  10  43.261  86.521  1.12398       11.1      1.0      0.9     6.1
   84   4   2   9  43.6    87.201  1.11696       64.8      6.1      5.5     6.2
   85   7   1   4  43.987  87.975  1.10911       11.0      1.0      0.9     6.2
   86   6   1   7  44.104  88.208  1.10679       22.0      2.1      1.9     6.2
   87   6   3   2  44.338  88.677  1.10214       42.7      4.0      3.6     6.2
   88   1   1  12  44.57   89.139  1.09762       17.7      1.7      1.5     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)