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       ***
                  ***********************
KOSMOCHLOR

3, t-diopside, at 600'C, f-pyroxenes, sf-Ca-Na-pyroxenes, s-aegirine

NaCrSi(2)O(6)


Monoclinic  C 2/c  Z = 4

R =0.099          NR =651

21 .6 .1990

Ref.Str.:

         M. Cameron, S. Sueno, C.T. Prewitt (1973)

         * Amer. Mineral., 58, 594-618

Reserv:

         Ureyite.

                   Initial data from BDM-file 

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

             a =   9.612    alpha =   90.0 
             b =   8.77     beta  =  107.25
             c =   5.279    gamma =   90.0 

    Unit cell volume (cub. angs.) =   424.99

    Molar volume ( cub.cm/mol.) =    64.0 

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

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

   1 0.114   0.0782  0.1362   0.94   O     = 1.00
   2 0.3611  0.2573  0.3025   1.44   O     = 1.00
   3 0.3519  0.0094  0.0074   1.29   O     = 1.00
   4 0.2921  0.0912  0.2324   0.83   Si    = 1.00
   5 0.0     0.9066  0.25     0.84   Cr    = 1.00
   6 0.0     0.301   0.25     2.44   Na    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.114      0.0782     0.1362
     2       2     0.3611     0.2573     0.3025
     3       3     0.3519     0.0094     0.0074
     4       4     0.2921     0.0912     0.2324
     5       5     0.0        0.9066     0.25  
     6       6     0.0        0.301      0.25  
     7       1     0.886      0.9218     0.8638
     8       2     0.6389     0.7427     0.6975
     9       3     0.6481     0.9906     0.9926
    10       4     0.7079     0.9088     0.7676
    11       5     0.0        0.0934     0.75  
    12       6     0.0        0.699      0.75  
    13       1     0.114      0.9218     0.6362
    14       2     0.3611     0.7427     0.8025
    15       3     0.3519     0.9906     0.5074
    16       4     0.2921     0.9088     0.7324
    17       1     0.886      0.0782     0.3638
    18       2     0.6389     0.2573     0.1975
    19       3     0.6481     0.0094     0.4926
    20       4     0.7079     0.0912     0.2676
    21       1     0.614      0.4218     0.6362
    22       2     0.8611     0.2427     0.8025
    23       3     0.8519     0.4906     0.5074
    24       4     0.7921     0.4088     0.7324
    25       5     0.5        0.5934     0.75  
    26       6     0.5        0.199      0.75  
    27       1     0.386      0.5782     0.3638
    28       2     0.1389     0.7573     0.1975
    29       3     0.1481     0.5094     0.4926
    30       4     0.2079     0.5912     0.2676
    31       5     0.5        0.4066     0.25  
    32       6     0.5        0.801      0.25  
    33       1     0.614      0.5782     0.1362
    34       2     0.8611     0.7573     0.3025
    35       3     0.8519     0.5094     0.0074
    36       4     0.7921     0.5912     0.2324
    37       1     0.386      0.4218     0.8638
    38       2     0.1389     0.2427     0.6975
    39       3     0.1481     0.4906     0.9926
    40       4     0.2079     0.4088     0.7676


X-ray density (g/cm cub.)   =      3.55

MU (1/cm) =     292.463    Mass attenuation coefficient (cm**2/g) =     82.407

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

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

    1    O                   3.264       11
                                                 2.7645       2
                                                 2.6415       3
                                                 2.6235       1
                                                 2.9746       1
                                                 2.9746       1
                                                 2.646        3
                                                 2.7943       1
                                                 2.9247       2
                                                 2.8348       2
                                                 3.2401       2
                                                 2.7983       2
    2    O                   3.264        9
                                                 2.7645       1
                                                 2.6608       3
                                                 2.5895       3
                                                 2.8836       2
                                                 2.9247       1
                                                 2.8348       1
                                                 3.2401       1
                                                 2.7983       1
                                                 3.0113       3
    3    O                   3.264        9
                                                 2.6415       1
                                                 2.6608       2
                                                 2.8759       3
                                                 2.646        1
                                                 2.5895       2
                                                 2.6446       3
                                                 2.6446       3
                                                 3.2158       3
                                                 3.0113       2
    4    Si                  2.1          4
                                                 1.6389       1
                                                 1.5979       2
                                                 1.6312       3
                                                 1.6497       3
    5    Cr                  2.628        6
                                                 2.0535       1
                                                 2.0125       1
                                                 2.0125       1
                                                 2.0535       1
                                                 1.9476       2
                                                 1.9476       2
    6    Na                  2.808        8
                                                 2.4021       1
                                                 2.4021       1
                                                 2.3988       2
                                                 2.7901       3
                                                 2.4343       3
                                                 2.4343       3
                                                 2.3988       2
                                                 2.7901       3

  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   1   0  6.977  13.954   0.079  132.58    4       44.6      585.2
    2   2   0   0  9.661  19.323   0.109   68.09    2       21.2       34.0
    3   1   1  -1 10.057  20.114   0.113   62.67    4       48.8      330.2
    4   0   2   0 10.117  20.234   0.114   61.9     2       72.5      360.2
    5   1   1   1 12.344  24.688   0.139   40.89    4       35.3      112.6
    6   0   2   1 13.463  26.925   0.151   34.05    4       13.6       14.0
    7   2   2   0 14.06   28.121   0.158   31.05    4       29.5       60.0
    8   2   2  -1 15.02   30.039   0.168   26.97    4      164.2     1610.6
    9   3   1   0 15.463  30.926   0.173   25.34    4      120.0      808.0
   10   3   1  -1 15.522  31.045   0.174   25.13    4       48.4      130.2
   11   1   3   0 16.053  32.107   0.18    23.37    4       12.0        7.5
   12   2   0  -2 17.57   35.14    0.196   19.21    2       13.4        3.8
   13   1   3  -1 17.678  35.355   0.197   18.95    4       99.9      419.1
   14   1   1  -2 17.748  35.496   0.198   18.79    4       20.1       16.9
   15   0   0   2 17.793  35.585   0.198   18.69    2      173.6      623.7
   16   2   2   1 18.202  36.404   0.203   17.78    4      124.5      610.2
   17   1   3   1 19.132  38.264   0.213   15.93    4       13.3        6.2
   18   4   0   0 19.612  39.224   0.218   15.08    2       21.9        8.0
   19   3   1   1 20.023  40.047   0.222   14.4     4       45.1       64.8
   20   3   1  -2 20.165  40.33    0.224   14.17    4       26.2       21.6
   21   2   2  -2 20.442  40.884   0.227   13.75    4        2.7        0.2
   22   1   1   2 20.56   41.121   0.228   13.57    4       97.4      285.0
   23   0   4   0 20.568  41.137   0.228   13.56    2       25.2        9.5
   24   0   2   2 20.638  41.276   0.229   13.46    4       34.0       34.4
   25   3   3   0 21.372  42.743   0.237   12.45    4       40.4       45.0
   26   3   3  -1 21.417  42.833   0.237   12.39    4       98.9      268.3
   27   4   2  -1 21.678  43.355   0.24    12.06    4       78.8      165.8
   28   4   2   0 22.262  44.523   0.246   11.36    4        0.5        0.0
   29   4   0  -2 22.399  44.798   0.247   11.2     2      103.9      133.9
   30   0   4   1 22.526  45.053   0.249   11.06    4       65.1      103.7
   31   2   4   0 22.914  45.828   0.253   10.64    4       14.4        4.9
   32   2   0   2 22.943  45.886   0.253   10.61    2       82.3       79.5
   33   1   3  -2 23.156  46.312   0.255   10.39    4       30.5       21.4
   34   2   4  -1 23.557  47.114   0.259    9.99    4       72.9      117.6
   35   5   1  -1 24.279  48.558   0.267    9.33    4       49.2       49.9
   36   4   2  -2 24.809  49.618   0.272    8.88    4       46.0       41.6
   37   3   3   1 25.026  50.052   0.275    8.71    4       44.7       38.6
   38   3   3  -2 25.145  50.29    0.276    8.62    4       28.7       15.7
   39   2   2   2 25.313  50.626   0.278    8.49    4       13.0        3.2
   40   5   1   0 25.382  50.764   0.278    8.43    4       37.6       26.4
   41   1   3   2 25.479  50.958   0.279    8.36    4       28.6       15.1
   42   2   4   1 25.853  51.705   0.283    8.09    4       46.4       38.6
   43   4   2   1 26.369  52.739   0.288    7.73    4       41.9       30.1
   44   1   5   0 26.558  53.116   0.29     7.61    4       94.0      148.8
   45   5   1  -2 26.642  53.285   0.291    7.55    4        4.7        0.4
   46   1   1  -3 26.711  53.421   0.292    7.51    4       32.6       17.7
   47   3   1   2 27.28   54.561   0.298    7.16    4       60.8       58.6
   48   3   1  -3 27.467  54.935   0.299    7.05    4       42.3       28.0
   49   2   4  -2 27.594  55.188   0.301    6.97    4        0.9        0.0
   50   1   5  -1 27.669  55.339   0.301    6.93    4       32.8       16.5
   51   0   4   2 27.75   55.501   0.302    6.88    4       80.0       97.5
   52   2   2  -3 28.213  56.426   0.307    6.63    4      123.1      222.5
   53   4   4  -1 28.591  57.182   0.311    6.43    4       31.5       14.2
   54   5   3  -1 28.711  57.423   0.312    6.37    4      132.5      247.9
   55   1   5   1 28.716  57.432   0.312    6.37    4       12.6        2.3
   56   4   4   0 29.071  58.141   0.315    6.2     4       88.1      106.4
   57   0   2   3 29.398  58.795   0.319    6.04    4       23.1        7.2
   58   5   1   1 29.675  59.35    0.321    5.92    4       37.5       18.4
   59   5   3   0 29.699  59.397   0.322    5.91    4       16.3        3.5
   60   1   1   3 29.845  59.69    0.323    5.84    4       32.4       13.6
   61   6   0   0 30.23   60.46    0.327    5.68    2       95.0       56.8
   62   6   0  -2 30.37   60.74    0.328    5.62    2      111.2       77.0
   63   3   5   0 30.41   60.821   0.329    5.6     4       81.2       81.9
   64   3   5  -1 30.445  60.891   0.329    5.59    4        7.5        0.7
   65   6   2  -1 30.792  61.583   0.332    5.45    4       48.8       28.7
   66   4   2  -3 30.812  61.623   0.332    5.44    4       39.8       19.1
   67   5   3  -2 30.84   61.679   0.333    5.43    4       16.1        3.1
   68   1   3  -3 30.902  61.804   0.333    5.41    4      122.9      180.8
   69   4   0   2 31.104  62.207   0.335    5.33    2      111.9       73.8
   70   4   4  -2 31.218  62.436   0.336    5.28    4       30.3       10.8
   71   3   3   2 31.422  62.844   0.338    5.21    4       17.4        3.5
   72   3   3  -3 31.593  63.187   0.34     5.15    4       39.1       17.4
   73   2   4   2 31.653  63.305   0.341    5.13    4       13.7        2.1
   74   0   6   0 31.802  63.604   0.342    5.07    2      120.8       81.9
   75   1   5  -2 31.825  63.649   0.342    5.07    4       17.7        3.5
   76   5   1  -3 31.934  63.868   0.343    5.03    4       46.2       23.8
   77   6   2   0 32.224  64.449   0.346    4.93    4        5.0        0.3
   78   6   2  -2 32.359  64.719   0.347    4.89    4       20.7        4.6
   79   4   4   1 32.573  65.146   0.349    4.82    4        5.6        0.3
   80   4   2   2 33.068  66.136   0.354    4.66    4       64.4       42.9
   81   0   6   1 33.277  66.554   0.356    4.6     4       18.0        3.3
   82   3   5   1 33.36   66.719   0.357    4.58    4       19.0        3.7
   83   3   5  -2 33.459  66.919   0.358    4.55    4      120.4      146.1
   84   2   6   0 33.578  67.155   0.359    4.52    4        3.3        0.1
   85   5   3   1 33.636  67.272   0.36     4.5     4      150.6      225.9
   86   1   5   2 33.739  67.478   0.361    4.47    4       55.9       30.9
   87   1   3   3 33.794  67.589   0.361    4.45    4       29.8        8.7
   88   2   6  -1 34.082  68.163   0.364    4.38    4       21.8        4.6
   89   2   2   3 34.126  68.252   0.364    4.37    4       87.3       73.7
   90   2   4  -3 34.208  68.416   0.365    4.34    4       72.3       50.3
   91   7   1  -1 34.625  69.249   0.369    4.24    4        6.1        0.4
   92   0   4   3 35.276  70.552   0.375    4.08    4       12.7        1.5
   93   7   1  -2 35.648  71.295   0.378    4.0     4      113.5      114.0
   94   2   0  -4 35.719  71.438   0.379    3.98    2        9.5        0.4
   95   5   3  -3 35.759  71.518   0.379    3.97    4       79.3       55.2
   96   2   6   1 35.936  71.872   0.381    3.93    4       10.7        1.0
   97   3   1   3 36.248  72.496   0.384    3.87    4       15.1        2.0
   98   7   1   0 36.435  72.87    0.386    3.83    4       61.3       31.9
   99   5   1   2 36.46   72.921   0.386    3.82    4       23.4        4.6
  100   6   2   1 36.469  72.939   0.386    3.82    4       70.2       41.7
  101   3   1  -4 36.472  72.943   0.386    3.82    4      100.0       84.6
  102   5   5  -1 36.524  73.048   0.386    3.81    4       23.2        4.6
  103   6   4  -1 36.549  73.098   0.387    3.81    4        5.0        0.2
  104   4   4  -3 36.567  73.135   0.387    3.8     4        0.3        0.0
  105   6   2  -3 36.725  73.449   0.388    3.77    4       15.8        2.1
  106   1   1  -4 36.741  73.482   0.388    3.77    4       25.0        5.2
  107   4   0  -4 37.138  74.276   0.392    3.69    2       68.3       19.1
  108   2   6  -2 37.396  74.792   0.394    3.65    4       44.0       15.6
  109   5   5   0 37.399  74.798   0.394    3.65    4        6.3        0.3
  110   0   6   2 37.53   75.059   0.395    3.62    4      120.7      116.9
  111   2   2  -4 37.565  75.131   0.396    3.62    4        2.5        0.0
  112   0   0   4 37.672  75.345   0.397    3.6     2      110.0       48.2
  113   6   4   0 37.874  75.749   0.399    3.56    4        1.7        0.0
  114   6   4  -2 38.0    76.0     0.4      3.54    4       38.6       11.7
  115   4   6  -1 38.252  76.503   0.402    3.5     4        8.0        0.5
  116   7   3  -1 38.326  76.652   0.403    3.49    4       33.1        8.5
  117   1   7   0 38.354  76.708   0.403    3.49    4       33.1        8.5
  118   5   5  -2 38.424  76.847   0.403    3.48    4        8.9        0.6
  119   1   5  -3 38.48   76.96    0.404    3.47    4       19.3        2.9
  120   4   4   2 38.663  77.325   0.406    3.44    4       50.1       19.1
  121   4   6   0 38.667  77.335   0.406    3.44    4       36.6       10.2
  122   3   5   2 38.952  77.904   0.408    3.4     4      112.3       94.9
  123   4   2  -4 38.96   77.919   0.408    3.4     4        0.2        0.0
  124   3   5  -3 39.108  78.216   0.409    3.37    4       15.9        1.9
  125   1   7  -1 39.277  78.555   0.411    3.35    4       56.4       23.6
  126   7   3  -2 39.312  78.623   0.411    3.35    4       14.9        1.7
  127   7   1  -3 39.415  78.831   0.412    3.33    4        7.4        0.4
  128   0   2   4 39.486  78.972   0.413    3.32    4       26.5        5.2
  129   5   1  -4 39.533  79.067   0.413    3.32    4        3.4        0.1
  130   2   4   3 39.658  79.317   0.414    3.3     4       32.1        7.5
  131   3   3   3 39.892  79.785   0.416    3.27    4        8.5        0.5
  132   7   3   0 40.074  80.148   0.418    3.25    4       23.0        3.8
  133   5   3   2 40.098  80.197   0.418    3.24    4        8.8        0.6
  134   3   3  -4 40.109  80.218   0.418    3.24    4       17.2        2.1
  135   1   7   1 40.164  80.327   0.419    3.23    4       62.5       28.0
  136   1   1   4 40.319  80.639   0.42     3.22    4       14.4        1.5
  137   1   3  -4 40.371  80.741   0.42     3.21    4        0.4        0.0
  138   8   0  -2 40.533  81.066   0.422    3.19    2       29.7        3.1
  139   4   6  -2 40.566  81.132   0.422    3.19    4       15.9        1.8
  140   7   1   1 40.936  81.871   0.425    3.15    4        1.4        0.0
  141   2   6   2 40.957  81.914   0.425    3.14    4       10.3        0.7
  142   5   5   1 40.991  81.981   0.426    3.14    4       27.5        5.3
  143   1   5   3 41.138  82.276   0.427    3.12    4       26.6        4.9
  144   6   0   2 41.444  82.889   0.43     3.09    2        9.5        0.3
  145   3   7   0 41.633  83.266   0.431    3.07    4        4.7        0.1
  146   3   7  -1 41.664  83.328   0.432    3.07    4        1.9        0.0
  147   8   2  -1 41.785  83.57    0.433    3.06    4       54.5       20.1
  148   4   6   1 41.792  83.585   0.433    3.06    4        0.5        0.0
  149   6   0  -4 41.813  83.626   0.433    3.06    2      117.6       46.8
  150   4   2   3 41.834  83.668   0.433    3.05    4        1.7        0.0
  151   6   4   1 41.893  83.786   0.433    3.05    4       30.9        6.4
  152   6   4  -3 42.138  84.277   0.436    3.03    4       19.6        2.6
  153   8   0   0 42.167  84.334   0.436    3.02    2       62.1       12.9
  154   8   2  -2 42.315  84.63    0.437    3.01    4       11.6        0.9
  155   2   0   4 42.849  85.698   0.441    2.97    2       18.7        1.1
  156   1   7  -2 42.89   85.78    0.442    2.96    4       20.1        2.7
  157   2   4  -4 42.951  85.901   0.442    2.96    4       26.0        4.4
  158   7   3  -3 42.985  85.97    0.443    2.96    4       18.2        2.2
  159   5   5  -3 42.989  85.977   0.443    2.95    4       26.0        4.4
  160   5   3  -4 43.101  86.202   0.444    2.95    4        7.8        0.4
  161   6   2   2 43.22   86.441   0.445    2.94    4       18.6        2.2
  162   2   6  -3 43.3    86.601   0.445    2.93    4        7.0        0.3
  163   6   2  -4 43.587  87.174   0.448    2.91    4       18.6        2.2
  164   1   3   4 43.876  87.752   0.45     2.89    4       13.2        1.1
  165   8   2   0 43.939  87.879   0.45     2.89    4        2.8        0.0
  166   3   7   1 44.285  88.571   0.453    2.87    4        7.2        0.3
  167   0   6   3 44.301  88.603   0.453    2.87    4       15.5        1.5
  168   4   4  -4 44.308  88.617   0.453    2.87    4       40.3       10.3
  169   3   7  -2 44.377  88.754   0.454    2.86    4       31.6        6.3
  170   7   3   1 44.485  88.97    0.455    2.86    4        9.8        0.6
  171   2   2   4 44.619  89.238   0.456    2.85    4       29.0        5.3
  172   1   7   2 44.635  89.269   0.456    2.85    4       17.8        2.0
  173   0   8   0 44.64   89.28    0.456    2.85    2        0.2        0.0
  174   0   4   4 44.824  89.648   0.458    2.84    4       24.4        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   1   0   6.977  13.954  6.3412       585.2     36.3     36.8     5.6
    2   2   0   0   9.661  19.323  4.58983       34.0      2.1      2.1     5.6
    3   1   1  -1  10.057  20.114  4.41094      330.2     20.5     20.7     5.6
    4   0   2   0  10.117  20.234  4.385        360.2     22.4     22.5     5.6
    5   1   1   1  12.344  24.688  3.60311      112.6      7.0      7.0     5.6
    6   2   2   0  14.06   28.121  3.1706        60.0      3.7      3.7     5.6
    7   2   2  -1  15.02   30.039  2.97234     1610.6    100.0    100.0     5.6
    8   3   1   0  15.463  30.926  2.88908      808.0     50.2     50.1     5.6
    9   3   1  -1  15.522  31.045  2.87832      130.2      8.1      8.1     5.6
   10   1   3  -1  17.678  35.355  2.53664      419.1     26.0     25.9     5.7
   11   1   1  -2  17.748  35.496  2.5269        16.9      1.0      1.0     5.7
   12   0   0   2  17.793  35.585  2.52078      623.7     38.7     38.5     5.7
   13   2   2   1  18.202  36.404  2.46595      610.2     37.9     37.7     5.7
   14   3   1   1  20.023  40.047  2.24963       64.8      4.0      4.0     5.7
   15   3   1  -2  20.165  40.33   2.23446       21.6      1.3      1.3     5.7
   16   1   1   2  20.56   41.121  2.19332      294.5     18.3     18.1     5.7
   17   0   2   2  20.638  41.276  2.18541       34.4      2.1      2.1     5.7
   18   3   3   0  21.372  42.743  2.11373       45.0      2.8      2.8     5.7
   19   3   3  -1  21.417  42.833  2.10951      268.3     16.7     16.5     5.7
   20   4   2  -1  21.678  43.355  2.08531      165.8     10.3     10.2     5.7
   21   4   0  -2  22.399  44.798  2.02143      133.9      8.3      8.2     5.7
   22   0   4   1  22.526  45.053  2.0106       103.7      6.4      6.3     5.7
   23   2   0   2  22.943  45.886  1.97603       79.5      4.9      4.9     5.7
   24   1   3  -2  23.156  46.312  1.95881       21.4      1.3      1.3     5.7
   25   2   4  -1  23.557  47.114  1.92733      117.6      7.3      7.2     5.7
   26   5   1  -1  24.279  48.558  1.87334       49.9      3.1      3.0     5.7
   27   4   2  -2  24.809  49.618  1.83576       41.6      2.6      2.5     5.7
   28   3   3   1  25.026  50.052  1.82087       38.6      2.4      2.3     5.7
   29   5   1   0  25.382  50.764  1.79698       26.4      1.6      1.6     5.8
   30   2   4   1  25.853  51.705  1.76647       38.6      2.4      2.3     5.8
   31   4   2   1  26.369  52.739  1.73426       30.1      1.9      1.8     5.8
   32   1   5   0  26.558  53.116  1.72283      148.8      9.2      9.0     5.8
   33   1   1  -3  26.711  53.421  1.71369       17.7      1.1      1.1     5.8
   34   3   1   2  27.28   54.561  1.68056       58.6      3.6      3.5     5.8
   35   3   1  -3  27.467  54.935  1.67001       28.0      1.7      1.7     5.8
   36   1   5  -1  27.669  55.339  1.65876       16.5      1.0      1.0     5.8
   37   0   4   2  27.75   55.501  1.6543        97.5      6.1      5.9     5.8
   38   2   2  -3  28.213  56.426  1.62936      222.5     13.8     13.4     5.8
   39   5   3  -1  28.711  57.423  1.60342      250.2     15.5     15.1     5.8
   40   4   4   0  29.071  58.141  1.5853       106.4      6.6      6.4     5.8
   41   5   1   1  29.675  59.35   1.55587       21.9      1.4      1.3     5.8
   42   6   0   0  30.23   60.46   1.52994       56.8      3.5      3.4     5.8
   43   6   0  -2  30.37   60.74   1.52355       77.0      4.8      4.6     5.8
   44   3   5   0  30.41   60.821  1.52172       81.9      5.1      4.9     5.8
   45   6   2  -1  30.792  61.583  1.50469       47.8      3.0      2.9     5.8
   46   1   3  -3  30.902  61.804  1.49986      180.8     11.2     10.8     5.8
   47   4   0   2  31.104  62.207  1.49109       73.8      4.6      4.4     5.8
   48   3   3  -3  31.593  63.187  1.47031       17.4      1.1      1.0     5.9
   49   0   6   0  31.802  63.604  1.46167       85.5      5.3      5.1     5.9
   50   5   1  -3  31.934  63.868  1.45626       23.8      1.5      1.4     5.9
   51   4   2   2  33.068  66.136  1.41171       42.9      2.7      2.5     5.9
   52   3   5  -2  33.459  66.919  1.39709      146.1      9.1      8.7     5.9
   53   5   3   1  33.636  67.272  1.39061      225.9     14.0     13.4     5.9
   54   1   5   2  33.739  67.478  1.38687       30.9      1.9      1.8     5.9
   55   2   2   3  34.126  68.252  1.37301       73.7      4.6      4.4     5.9
   56   2   4  -3  34.208  68.416  1.37013       50.3      3.1      3.0     5.9
   57   7   1  -2  35.648  71.295  1.32169      114.0      7.1      6.7     5.9
   58   5   3  -3  35.759  71.518  1.31812       55.2      3.4      3.3     5.9
   59   7   1   0  36.435  72.87   1.29696       36.5      2.3      2.1     6.0
   60   3   1  -4  36.472  72.943  1.29584      126.4      7.8      7.4     6.0
   61   4   0  -4  37.138  74.276  1.27585       19.1      1.2      1.1     6.0
   62   0   6   2  37.53   75.059  1.26447      116.9      7.3      6.8     6.0
   63   0   0   4  37.672  75.345  1.26039       48.2      3.0      2.8     6.0
   64   7   3  -1  38.326  76.652  1.24212       17.0      1.1      1.0     6.0
   65   4   4   2  38.663  77.325  1.23297       29.3      1.8      1.7     6.0
   66   3   5   2  38.952  77.904  1.22525       94.9      5.9      5.5     6.0
   67   1   7  -1  39.277  78.555  1.21673       23.6      1.5      1.4     6.0
   68   1   7   1  40.164  80.327  1.19428       28.0      1.7      1.6     6.0
   69   6   0  -4  41.813  83.626  1.15536       66.9      4.2      3.8     6.1

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)