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       ***
                  ***********************
AEGIRINE

1, t-diopside, f-pyroxenes, sf-Ca-Na-pyroxenes, s-aegirine

NaFeSi(2)O(6)


Monoclinic  C 2/c  Z = 4

C2/c

29 .4 .1994

Ref.Str.:

         C.T.Prewitt, C.W.Burnham (1966)

         * Amer. Mineral., 51, 956-975

Ref.Composition & Lattice:

         Povarennih A.S. (1966)

         * Kristallohim. klassif. miner. vidov (in Russia)

Reserv:

         The coordinates of atoms are from jadeite. N.A.D.

                   Initial data from BDM-file 

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

             a =   9.65     alpha =   90.0 
             b =   8.79     beta  =  107.4 
             c =   5.29     gamma =   90.0 

    Unit cell volume (cub. angs.) =   428.18

    Molar volume ( cub.cm/mol.) =    64.48

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

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

   1 0.0     0.3009  0.25     0.0    Na    = 1.00
   2 0.0     0.094   0.75     0.0    Fe    = 1.00
   3 0.2906  0.0934  0.2277   0.0    Si    = 1.00
   4 0.109   0.0763  0.1275   0.0    O     = 1.00
   5 0.3608  0.263   0.2929   0.0    O     = 1.00
   6 0.3533  0.007   0.0058   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.3009     0.25  
     2       2     0.0        0.094      0.75  
     3       3     0.2906     0.0934     0.2277
     4       4     0.109      0.0763     0.1275
     5       5     0.3608     0.263      0.2929
     6       6     0.3533     0.007      0.0058
     7       1     0.0        0.6991     0.75  
     8       2     0.0        0.906      0.25  
     9       3     0.7094     0.9066     0.7723
    10       4     0.891      0.9237     0.8725
    11       5     0.6392     0.737      0.7071
    12       6     0.6467     0.993      0.9942
    13       3     0.2906     0.9066     0.7277
    14       4     0.109      0.9237     0.6275
    15       5     0.3608     0.737      0.7929
    16       6     0.3533     0.993      0.5058
    17       3     0.7094     0.0934     0.2723
    18       4     0.891      0.0763     0.3725
    19       5     0.6392     0.263      0.2071
    20       6     0.6467     0.007      0.4942
    21       1     0.5        0.1991     0.75  
    22       2     0.5        0.406      0.25  
    23       3     0.7906     0.4066     0.7277
    24       4     0.609      0.4237     0.6275
    25       5     0.8608     0.237      0.7929
    26       6     0.8533     0.493      0.5058
    27       1     0.5        0.8009     0.25  
    28       2     0.5        0.594      0.75  
    29       3     0.2094     0.5934     0.2723
    30       4     0.391      0.5763     0.3725
    31       5     0.1392     0.763      0.2071
    32       6     0.1467     0.507      0.4942
    33       3     0.7906     0.5934     0.2277
    34       4     0.609      0.5763     0.1275
    35       5     0.8608     0.763      0.2929
    36       6     0.8533     0.507      0.0058
    37       3     0.2094     0.4066     0.7723
    38       4     0.391      0.4237     0.8725
    39       5     0.1392     0.237      0.7071
    40       6     0.1467     0.493      0.9942


X-ray density (g/cm cub.)   =      3.58

MU (1/cm) =     347.378    Mass attenuation coefficient (cm**2/g) =     96.972

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

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

    1    Na                  2.808        8
                                                 2.4149       4
                                                 2.4149       4
                                                 2.4544       5
                                                 2.7986       6
                                                 2.421        6
                                                 2.421        6
                                                 2.4544       5
                                                 2.7986       6
    2    Fe                  2.592        6
                                                 1.9653       4
                                                 2.0432       4
                                                 2.0432       4
                                                 1.9653       4
                                                 1.9022       5
                                                 1.9022       5
    3    Si                  2.1          4
                                                 1.679        4
                                                 1.6311       5
                                                 1.657        6
                                                 1.6664       6
    4    O                   3.264       10
                                                 2.8446       5
                                                 2.6928       6
                                                 2.5194       4
                                                 2.9657       4
                                                 2.9657       4
                                                 2.6976       6
                                                 2.7814       4
                                                 2.8861       5
                                                 2.788        5
                                                 2.7228       5
    5    O                   3.264        9
                                                 2.8446       4
                                                 2.7036       6
                                                 2.6372       6
                                                 2.8553       5
                                                 2.8861       4
                                                 2.788        4
                                                 2.7228       4
                                                 3.2039       5
                                                 2.9833       6
    6    O                   3.264        9
                                                 2.6928       4
                                                 2.7036       5
                                                 2.8529       6
                                                 2.6976       4
                                                 2.6372       5
                                                 2.6479       6
                                                 2.6479       6
                                                 3.2119       6
                                                 2.9833       5

  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  6.958  13.917   0.079  133.31    4       51.0      756.9
    2   2   0   0  9.631  19.262   0.109   68.53    2       29.1       63.2
    3   1   1  -1 10.029  20.058   0.113   63.03    4       55.4      421.7
    4   0   2   0 10.094  20.188   0.114   62.2     2       72.7      359.0
    5   1   1   1 12.329  24.659   0.139   40.99    4       35.0      109.4
    6   0   2   1 13.437  26.875   0.151   34.19    4        4.6        1.6
    7   2   2   0 14.022  28.044   0.157   31.23    4       26.2       46.7
    8   2   2  -1 14.97   29.939   0.168   27.16    4      172.1     1755.8
    9   3   1   0 15.415  30.83    0.173   25.51    4      125.3      874.1
   10   3   1  -1 15.458  30.915   0.173   25.36    4       51.0      143.8
   11   1   3   0 16.015  32.029   0.179   23.49    4       14.5       10.8
   12   2   0  -2 17.517  35.033   0.195   19.34    2        5.3        0.6
   13   1   3  -1 17.633  35.266   0.197   19.06    4      105.8      465.5
   14   1   1  -2 17.711  35.422   0.197   18.88    4       19.4       15.5
   15   0   0   2 17.769  35.539   0.198   18.74    2      181.8      675.7
   16   2   2   1 18.172  36.343   0.202   17.84    4      132.1      679.1
   17   1   3   1 19.096  38.192   0.212   15.99    4       17.9       11.2
   18   4   0   0 19.548  39.096   0.217   15.19    2       29.9       14.8
   19   3   1   1 19.988  39.976   0.222   14.46    4       51.3       83.2
   20   3   1  -2 20.09   40.18    0.223   14.29    4       27.5       23.6
   21   2   2  -2 20.383  40.766   0.226   13.84    4        1.3        0.1
   22   0   4   0 20.519  41.039   0.228   13.63    2       28.6       12.2
   23   1   1   2 20.538  41.076   0.228   13.61    4      106.3      335.4
   24   0   2   2 20.606  41.211   0.228   13.51    4       46.3       63.2
   25   3   3   0 21.312  42.623   0.236   12.53    4       45.7       57.1
   26   3   3  -1 21.344  42.688   0.236   12.48    4      108.3      319.6
   27   4   2  -1 21.592  43.184   0.239   12.16    4       84.3      188.5
   28   4   2   0 22.193  44.385   0.245   11.44    4        1.8        0.1
   29   4   0  -2 22.303  44.606   0.246   11.31    2      111.4      153.1
   30   0   4   1 22.476  44.952   0.248   11.11    4       71.6      124.1
   31   2   4   0 22.855  45.71    0.252   10.7     4       14.9        5.2
   32   2   0   2 22.92   45.839   0.253   10.63    2       88.1       90.0
   33   1   3  -2 23.104  46.208   0.255   10.44    4       34.6       27.3
   34   2   4  -1 23.49   46.98    0.259   10.06    4       77.5      131.8
   35   5   1  -1 24.176  48.352   0.266    9.42    4       52.0       55.6
   36   4   2  -2 24.709  49.419   0.271    8.97    4       51.7       52.2
   37   3   3   1 24.975  49.951   0.274    8.75    4       53.9       55.4
   38   3   3  -2 25.061  50.122   0.275    8.68    4       29.9       17.0
   39   2   2   2 25.281  50.562   0.277    8.51    4       10.3        2.0
   40   5   1   0 25.298  50.596   0.277    8.5     4       38.3       27.2
   41   1   3   2 25.439  50.879   0.279    8.39    4       28.8       15.2
   42   2   4   1 25.799  51.598   0.283    8.13    4       41.7       30.9
   43   4   2   1 26.313  52.626   0.288    7.77    4       39.9       27.0
   44   1   5   0 26.492  52.984   0.29     7.65    4      105.5      185.9
   45   5   1  -2 26.523  53.045   0.29     7.63    4        6.2        0.6
   46   1   1  -3 26.661  53.321   0.291    7.54    4       42.6       29.9
   47   3   1   2 27.246  54.493   0.297    7.18    4       64.3       64.8
   48   3   1  -3 27.381  54.762   0.299    7.1     4       53.6       44.5
   49   2   4  -2 27.517  55.035   0.3      7.02    4        1.7        0.0
   50   1   5  -1 27.599  55.198   0.301    6.97    4       33.8       17.3
   51   0   4   2 27.695  55.39    0.302    6.92    4       88.0      116.8
   52   2   2  -3 28.142  56.284   0.306    6.67    4      132.0      253.6
   53   4   4  -1 28.493  56.985   0.31     6.48    4       37.4       19.8
   54   5   3  -1 28.601  57.202   0.311    6.43    4      154.6      335.0
   55   1   5   1 28.651  57.302   0.311    6.4     4       11.0        1.7
   56   4   4   0 28.985  57.971   0.315    6.24    4      104.7      149.2
   57   0   2   3 29.353  58.705   0.318    6.06    4       37.2       18.3
   58   5   3   0 29.604  59.209   0.321    5.95    4       23.7        7.3
   59   5   1   1 29.606  59.212   0.321    5.95    4       37.5       18.2
   60   1   1   3 29.81   59.621   0.323    5.86    4       34.3       15.1
   61   6   0   0 30.126  60.251   0.326    5.72    2      104.0       67.5
   62   6   0  -2 30.226  60.453   0.327    5.68    2      129.1      103.2
   63   3   5   0 30.327  60.654   0.328    5.64    4      101.6      127.0
   64   3   5  -1 30.352  60.704   0.328    5.63    4        4.0        0.2
   65   6   2  -1 30.664  61.327   0.331    5.5     4       65.3       51.2
   66   4   2  -3 30.698  61.396   0.331    5.48    4       50.7       30.7
   67   5   3  -2 30.712  61.425   0.332    5.48    4       20.7        5.1
   68   1   3  -3 30.838  61.676   0.333    5.43    4      141.7      237.7
   69   4   0   2 31.059  62.117   0.335    5.34    2      140.4      114.9
   70   4   4  -2 31.105  62.211   0.335    5.33    4       35.7       14.8
   71   3   3   2 31.373  62.746   0.338    5.23    4       15.5        2.7
   72   3   3  -3 31.496  62.992   0.339    5.18    4       48.9       27.1
   73   2   4   2 31.598  63.196   0.34     5.15    4       16.0        2.9
   74   0   6   0 31.721  63.443   0.341    5.1     2      129.8       93.8
   75   1   5  -2 31.747  63.493   0.342    5.09    4       19.9        4.4
   76   5   1  -3 31.799  63.597   0.342    5.08    4       46.0       23.5
   77   6   2   0 32.115  64.23    0.345    4.97    4        2.6        0.1
   78   6   2  -2 32.212  64.424   0.346    4.93    4       26.6        7.6
   79   4   4   1 32.497  64.994   0.349    4.84    4        3.8        0.2
   80   4   2   2 33.016  66.032   0.354    4.68    4       77.3       61.0
   81   0   6   1 33.195  66.389   0.355    4.63    4       31.8       10.2
   82   3   5   1 33.282  66.565   0.356    4.6     4       22.2        4.9
   83   3   5  -2 33.354  66.708   0.357    4.58    4      151.6      229.6
   84   2   6   0 33.488  66.976   0.358    4.54    4        0.1        0.0
   85   5   3   1 33.554  67.108   0.359    4.52    4      167.8      277.9
   86   1   5   2 33.671  67.342   0.36     4.49    4       65.9       42.6
   87   1   3   3 33.745  67.49    0.361    4.47    4       35.8       12.5
   88   2   6  -1 33.985  67.971   0.363    4.4     4       25.6        6.3
   89   2   2   3 34.085  68.17    0.364    4.38    4      110.1      115.7
   90   2   4  -3 34.118  68.237   0.364    4.37    4       75.6       54.4
   91   7   1  -1 34.474  68.948   0.367    4.27    4        7.3        0.5
   92   0   4   3 35.209  70.419   0.374    4.1     4       13.8        1.7
   93   7   1  -2 35.475  70.95    0.377    4.03    4      132.7      155.1
   94   5   3  -3 35.614  71.228   0.378    4.0     4       95.8       80.2
   95   2   0  -4 35.637  71.273   0.378    4.0     2        5.5        0.1
   96   2   6   1 35.849  71.699   0.38     3.95    4       17.8        2.7
   97   3   1   3 36.207  72.413   0.383    3.88    4       21.2        3.8
   98   7   1   0 36.304  72.608   0.384    3.86    4       64.9       35.4
   99   3   1  -4 36.367  72.734   0.385    3.84    4      118.0      116.8
  100   6   2   1 36.374  72.747   0.385    3.84    4       92.7       72.1
  101   5   5  -1 36.393  72.786   0.385    3.84    4       24.3        4.9
  102   5   1   2 36.397  72.793   0.385    3.84    4       19.1        3.1
  103   6   4  -1 36.406  72.812   0.385    3.84    4        3.5        0.1
  104   4   4  -3 36.438  72.876   0.386    3.83    4        1.8        0.0
  105   6   2  -3 36.557  73.114   0.387    3.81    4       23.7        4.7
  106   1   1  -4 36.672  73.345   0.388    3.78    4       31.7        8.3
  107   4   0  -4 37.011  74.022   0.391    3.72    2       74.1       22.3
  108   5   5   0 37.282  74.563   0.393    3.67    4        0.5        0.0
  109   2   6  -2 37.289  74.579   0.393    3.67    4       45.5       16.5
  110   0   6   2 37.441  74.882   0.395    3.64    4      137.0      149.0
  111   2   2  -4 37.476  74.952   0.395    3.63    4        0.2        0.0
  112   0   0   4 37.616  75.233   0.396    3.61    2      136.5       73.4
  113   6   4   0 37.748  75.495   0.397    3.59    4        6.0        0.3
  114   6   4  -2 37.838  75.676   0.398    3.57    4       45.1       15.8
  115   4   6  -1 38.125  76.25    0.401    3.52    4       10.0        0.8
  116   7   3  -1 38.164  76.329   0.401    3.52    4       33.1        8.4
  117   1   7   0 38.25   76.5     0.402    3.5     4       42.6       13.9
  118   5   5  -2 38.276  76.551   0.402    3.5     4       17.3        2.3
  119   1   5  -3 38.389  76.778   0.403    3.48    4       27.0        5.6
  120   4   6   0 38.552  77.104   0.405    3.46    4       46.4       16.2
  121   4   4   2 38.589  77.178   0.405    3.45    4       64.7       31.5
  122   4   2  -4 38.826  77.653   0.407    3.41    4        1.7        0.0
  123   3   5   2 38.874  77.749   0.407    3.41    4      139.6      144.9
  124   3   5  -3 38.986  77.973   0.408    3.39    4       18.1        2.4
  125   7   3  -2 39.129  78.257   0.41     3.37    4       18.9        2.6
  126   1   7  -1 39.169  78.338   0.41     3.37    4       76.0       42.4
  127   7   1  -3 39.219  78.438   0.41     3.36    4        8.0        0.5
  128   5   1  -4 39.377  78.753   0.412    3.34    4        8.1        0.5
  129   0   2   4 39.423  78.845   0.412    3.33    4       19.4        2.7
  130   2   4   3 39.595  79.19    0.414    3.31    4       34.2        8.4
  131   3   3   3 39.836  79.672   0.416    3.28    4       26.0        4.8
  132   7   3   0 39.93   79.861   0.417    3.26    4       31.2        6.9
  133   3   3  -4 39.992  79.984   0.417    3.26    4       25.7        4.7
  134   5   3   2 40.02   80.041   0.417    3.25    4       16.4        1.9
  135   1   7   1 40.06   80.119   0.418    3.25    4       76.8       41.8
  136   1   1   4 40.267  80.534   0.42     3.22    4       18.9        2.5
  137   1   3  -4 40.288  80.576   0.42     3.22    4        4.2        0.1
  138   8   0  -2 40.328  80.656   0.42     3.21    2       46.1        7.4
  139   4   6  -2 40.424  80.848   0.421    3.2     4       11.9        1.0
  140   7   1   1 40.818  81.636   0.424    3.16    4        2.4        0.0
  141   2   6   2 40.867  81.734   0.425    3.15    4        9.7        0.7
  142   5   5   1 40.882  81.763   0.425    3.15    4       27.1        5.1
  143   1   5   3 41.06   82.119   0.426    3.13    4       33.0        7.4
  144   6   0   2 41.36   82.721   0.429    3.1     2       16.6        0.9
  145   3   7   0 41.511  83.022   0.43     3.09    4        8.4        0.5
  146   3   7  -1 41.533  83.066   0.43     3.08    4        0.0        0.0
  147   8   2  -1 41.597  83.195   0.431    3.08    4       69.0       32.0
  148   6   0  -4 41.625  83.251   0.431    3.07    2      152.2       77.7
  149   4   6   1 41.683  83.365   0.432    3.07    4        3.2        0.1
  150   4   2   3 41.776  83.551   0.432    3.06    4        6.0        0.2
  151   6   4   1 41.777  83.553   0.432    3.06    4       37.1        9.2
  152   6   4  -3 41.953  83.906   0.434    3.04    4       31.6        6.6
  153   8   0   0 42.005  84.01    0.434    3.04    2       85.2       24.0
  154   8   2  -2 42.104  84.207   0.435    3.03    4       19.7        2.6
  155   1   7  -2 42.772  85.544   0.441    2.97    4       29.3        5.5
  156   7   3  -3 42.776  85.552   0.441    2.97    4       19.5        2.5
  157   2   0   4 42.799  85.597   0.441    2.97    2       22.3        1.6
  158   5   5  -3 42.819  85.637   0.441    2.97    4       22.2        3.2
  159   2   4  -4 42.84   85.68    0.441    2.97    4       35.2        8.0
  160   5   3  -4 42.931  85.862   0.442    2.96    4       15.9        1.6
  161   6   2   2 43.129  86.258   0.444    2.94    4       30.5        6.0
  162   2   6  -3 43.177  86.354   0.444    2.94    4       10.1        0.7
  163   6   2  -4 43.392  86.784   0.446    2.93    4       16.4        1.7
  164   8   2   0 43.77   87.54    0.449    2.9     4        5.8        0.2
  165   1   3   4 43.808  87.616   0.449    2.9     4       18.4        2.2
  166   4   4  -4 44.154  88.308   0.452    2.87    4       52.1       17.0
  167   3   7   1 44.166  88.332   0.452    2.87    4       12.6        1.0
  168   0   6   3 44.199  88.397   0.453    2.87    4       30.8        5.9
  169   3   7  -2 44.232  88.463   0.453    2.87    4       26.1        4.3
  170   7   3   1 44.353  88.705   0.454    2.86    4        3.9        0.1
  171   0   8   0 44.511  89.023   0.455    2.85    2        3.6        0.0
  172   1   7   2 44.524  89.047   0.455    2.85    4       21.4        2.8
  173   2   2   4 44.561  89.122   0.455    2.85    4       40.6       10.2
  174   0   4   4 44.738  89.476   0.457    2.84    4       22.5        3.1


  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   6.958  13.917  6.35824      756.9     43.1     43.6     5.6
    2   2   0   0   9.631  19.262  4.60421       63.2      3.6      3.6     5.6
    3   1   1  -1  10.029  20.058  4.42317      421.7     24.0     24.2     5.6
    4   0   2   0  10.094  20.188  4.395        359.0     20.4     20.6     5.6
    5   1   1   1  12.329  24.659  3.60735      109.4      6.2      6.3     5.6
    6   2   2   0  14.022  28.044  3.17912       46.7      2.7      2.7     5.6
    7   2   2  -1  14.97   29.939  2.98203     1755.8    100.0    100.0     5.6
    8   3   1   0  15.415  30.83   2.89787      874.1     49.8     49.7     5.6
    9   3   1  -1  15.458  30.915  2.89006      143.8      8.2      8.2     5.6
   10   1   3  -1  17.633  35.266  2.54284      465.5     26.5     26.4     5.7
   11   0   0   2  17.769  35.539  2.52397      675.7     38.5     38.3     5.7
   12   2   2   1  18.172  36.343  2.46993      679.1     38.7     38.5     5.7
   13   3   1   1  19.988  39.976  2.25346       83.2      4.7      4.7     5.7
   14   3   1  -2  20.09   40.18   2.24248       23.6      1.3      1.3     5.7
   15   1   1   2  20.538  41.076  2.19558      347.6     19.8     19.6     5.7
   16   0   2   2  20.606  41.211  2.18872       63.2      3.6      3.6     5.7
   17   3   3   0  21.312  42.623  2.11942       57.1      3.3      3.2     5.7
   18   3   3  -1  21.344  42.688  2.11635      319.6     18.2     18.0     5.7
   19   4   2  -1  21.592  43.184  2.09317      188.5     10.7     10.6     5.7
   20   4   0  -2  22.303  44.606  2.02971      153.1      8.7      8.6     5.7
   21   0   4   1  22.476  44.952  2.01486      124.1      7.1      7.0     5.7
   22   2   0   2  22.92   45.839  1.97791       90.0      5.1      5.0     5.7
   23   1   3  -2  23.104  46.208  1.96298       27.3      1.6      1.5     5.7
   24   2   4  -1  23.49   46.98   1.93251      131.8      7.5      7.4     5.7
   25   5   1  -1  24.176  48.352  1.88083       55.6      3.2      3.1     5.7
   26   4   2  -2  24.709  49.419  1.8427        52.2      3.0      2.9     5.7
   27   3   3   1  24.975  49.951  1.82433       55.4      3.2      3.1     5.7
   28   5   1   0  25.298  50.596  1.80254       29.1      1.7      1.6     5.8
   29   2   4   1  25.799  51.598  1.76989       30.9      1.8      1.7     5.8
   30   4   2   1  26.313  52.626  1.7377        27.0      1.5      1.5     5.8
   31   1   5   0  26.492  52.984  1.72681      185.9     10.6     10.3     5.8
   32   1   1  -3  26.661  53.321  1.71667       29.9      1.7      1.7     5.8
   33   3   1   2  27.246  54.493  1.6825        64.8      3.7      3.6     5.8
   34   3   1  -3  27.381  54.762  1.67488       44.5      2.5      2.5     5.8
   35   0   4   2  27.695  55.39   1.65735      116.8      6.7      6.5     5.8
   36   2   2  -3  28.142  56.284  1.63312      253.6     14.4     14.0     5.8
   37   4   4  -1  28.493  56.985  1.61469       19.8      1.1      1.1     5.8
   38   5   3  -1  28.601  57.202  1.60909      335.0     19.1     18.5     5.8
   39   4   4   0  28.985  57.971  1.58956      149.2      8.5      8.2     5.8
   40   0   2   3  29.353  58.705  1.57141       18.3      1.0      1.0     5.8
   41   5   1   1  29.606  59.212  1.55918       25.5      1.5      1.4     5.8
   42   6   0   0  30.126  60.251  1.53474       67.5      3.8      3.7     5.8
   43   6   0  -2  30.226  60.453  1.5301       103.2      5.9      5.7     5.8
   44   3   5   0  30.327  60.654  1.52551      127.2      7.2      7.0     5.8
   45   6   2  -1  30.664  61.327  1.51036       51.2      2.9      2.8     5.8
   46   4   2  -3  30.698  61.396  1.50883       35.8      2.0      2.0     5.8
   47   1   3  -3  30.838  61.676  1.50266      237.7     13.5     13.1     5.8
   48   4   0   2  31.059  62.117  1.49304      114.9      6.5      6.3     5.8
   49   3   3  -3  31.496  62.992  1.47439       27.1      1.5      1.5     5.9
   50   0   6   0  31.721  63.443  1.465         98.1      5.6      5.4     5.9
   51   5   1  -3  31.799  63.597  1.46181       23.5      1.3      1.3     5.9
   52   4   2   2  33.016  66.032  1.41369       61.0      3.5      3.3     5.9
   53   3   5  -2  33.354  66.708  1.40099      229.6     13.1     12.5     5.9
   54   5   3   1  33.554  67.108  1.39362      277.9     15.8     15.1     5.9
   55   1   5   2  33.671  67.342  1.38933       42.6      2.4      2.3     5.9
   56   2   2   3  34.085  68.17   1.37446      115.7      6.6      6.3     5.9
   57   2   4  -3  34.118  68.237  1.37328       54.4      3.1      3.0     5.9
   58   7   1  -2  35.475  70.95   1.32727      155.1      8.8      8.4     5.9
   59   5   3  -3  35.614  71.228  1.32278       80.3      4.6      4.3     5.9
   60   7   1   0  36.304  72.608  1.301         35.4      2.0      1.9     6.0
   61   3   1  -4  36.367  72.734  1.29904      196.9     11.2     10.6     6.0
   62   4   0  -4  37.011  74.022  1.2796        22.3      1.3      1.2     6.0
   63   0   6   2  37.441  74.882  1.26703      149.0      8.5      8.0     6.0
   64   0   0   4  37.616  75.233  1.26198       73.4      4.2      3.9     6.0
   65   4   4   2  38.589  77.178  1.23496       31.5      1.8      1.7     6.0
   66   3   5   2  38.874  77.749  1.22731      144.9      8.3      7.7     6.0
   67   1   7  -1  39.169  78.338  1.21955       42.4      2.4      2.3     6.0
   68   1   7   1  40.06   80.119  1.19686       41.8      2.4      2.2     6.0
   69   6   0  -4  41.625  83.251  1.15961      109.6      6.2      5.8     6.1
   70   8   0   0  42.005  84.01   1.15105       24.0      1.4      1.3     6.1
   71   4   4  -4  44.154  88.308  1.10579       18.0      1.0      0.9     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)