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

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          ***      W W W - X R A Y P O L       ***
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SILICATE-NA-GA

3, at 110'K

NaGaSi(2)O(6)


Monoclinic  C 2/c  Z = 4

C2/c

6 .11 .8

Ref.Str.:

         Nestola F., Rotiroti N., Bruno M., Tribaudino M., van Smaalen S.,

         Ohashi H., Redhammer G.J. (2007)

         * Amer. Mineral., 92, 560-569

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   9.5442   alpha =   90.0 
             b =   8.6849   beta  =  107.63
             c =   5.2662   gamma =   90.0 

    Unit cell volume (cub. angs.) =   416.02

    Molar volume ( cub.cm/mol.) =    62.65

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

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

   1 0.0     0.3006  0.25     0.0    Na    = 1.00
   2 0.0     0.9024  0.25     0.0    Ga    = 1.00
   3 0.2912  0.0913  0.2326   0.0    Si    = 1.00
   4 0.1119  0.0782  0.1338   0.0    O     = 1.00
   5 0.3588  0.2594  0.3027   0.0    O     = 1.00
   6 0.353   0.0099  0.0077   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.3006     0.25  
     2       2     0.0        0.9024     0.25  
     3       3     0.2912     0.0913     0.2326
     4       4     0.1119     0.0782     0.1338
     5       5     0.3588     0.2594     0.3027
     6       6     0.353      0.0099     0.0077
     7       1     0.0        0.6994     0.75  
     8       2     0.0        0.0976     0.75  
     9       3     0.7088     0.9087     0.7674
    10       4     0.8881     0.9218     0.8662
    11       5     0.6412     0.7406     0.6973
    12       6     0.647      0.9901     0.9922
    13       3     0.2912     0.9087     0.7326
    14       4     0.1119     0.9218     0.6338
    15       5     0.3588     0.7406     0.8027
    16       6     0.353      0.9901     0.5077
    17       3     0.7088     0.0913     0.2674
    18       4     0.8881     0.0782     0.3662
    19       5     0.6412     0.2594     0.1973
    20       6     0.647      0.0099     0.4922
    21       1     0.5        0.1994     0.75  
    22       2     0.5        0.5976     0.75  
    23       3     0.7912     0.4087     0.7326
    24       4     0.6119     0.4218     0.6338
    25       5     0.8588     0.2406     0.8027
    26       6     0.853      0.4901     0.5077
    27       1     0.5        0.8006     0.25  
    28       2     0.5        0.4024     0.25  
    29       3     0.2088     0.5913     0.2674
    30       4     0.3881     0.5782     0.3662
    31       5     0.1412     0.7594     0.1973
    32       6     0.147      0.5099     0.4922
    33       3     0.7912     0.5913     0.2326
    34       4     0.6119     0.5782     0.1338
    35       5     0.8588     0.7594     0.3027
    36       6     0.853      0.5099     0.0078
    37       3     0.2088     0.4087     0.7674
    38       4     0.3881     0.4218     0.8662
    39       5     0.1412     0.2406     0.6973
    40       6     0.147      0.4901     0.9922


X-ray density (g/cm cub.)   =      3.91

MU (1/cm) =     158.553    Mass attenuation coefficient (cm**2/g) =     40.567

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

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

    1    Na                  2.808        8
                                                 2.375        4
                                                 2.375        4
                                                 2.3905       5
                                                 2.7701       6
                                                 2.4122       6
                                                 2.4122       6
                                                 2.3905       5
                                                 2.7701       6
    2    Ga                  2.376        6
                                                 2.0596       4
                                                 1.9869       4
                                                 1.9869       4
                                                 2.0596       4
                                                 1.9131       5
                                                 1.9131       5
    3    Si                  2.1          4
                                                 1.6353       4
                                                 1.5941       5
                                                 1.6344       6
                                                 1.6437       6
    4    O                   3.264       11
                                                 2.7483       5
                                                 2.6479       6
                                                 2.5634       4
                                                 2.9628       4
                                                 2.9628       4
                                                 2.6482       6
                                                 2.7644       4
                                                 2.8832       5
                                                 2.7923       5
                                                 3.2202       5
                                                 2.782        5
    5    O                   3.264       10
                                                 2.7483       4
                                                 2.6568       6
                                                 2.5845       6
                                                 2.9113       5
                                                 2.8832       4
                                                 2.7923       4
                                                 3.2202       4
                                                 2.782        4
                                                 3.2394       5
                                                 2.9611       6
    6    O                   3.264        9
                                                 2.6479       4
                                                 2.6568       5
                                                 2.8376       6
                                                 2.6482       4
                                                 2.5845       5
                                                 2.6388       6
                                                 2.6388       6
                                                 3.1701       6
                                                 2.9611       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  7.044  14.088   0.08   130.04    4       63.3     1205.0
    2   2   0   0  9.751  19.502   0.11    66.8     2       44.9      155.6
    3   1   1  -1 10.095  20.189   0.114   62.19    4       62.6      563.0
    4   0   2   0 10.217  20.435   0.115   60.65    2       75.8      402.2
    5   1   1   1 12.448  24.896   0.14    40.17    4       49.0      223.0
    6   0   2   1 13.566  27.132   0.152   33.51    4       10.9        9.2
    7   2   2   0 14.197  28.394   0.159   30.42    4       25.1       44.2
    8   2   2  -1 15.111  30.222   0.169   26.62    4      189.8     2215.9
    9   3   1  -1 15.603  31.206   0.175   24.85    4       37.5       80.8
   10   3   1   0 15.61   31.22    0.175   24.83    4      139.2     1111.0
   11   1   3   0 16.214  32.428   0.181   22.87    4       24.4       31.5
   12   2   0  -2 17.599  35.198   0.196   19.14    2        7.3        1.2
   13   1   1  -2 17.806  35.612   0.198   18.66    4       37.3       60.1
   14   1   3  -1 17.82   35.639   0.199   18.62    4      124.4      666.4
   15   0   0   2 17.876  35.751   0.199   18.5     2      201.7      869.9
   16   2   2   1 18.382  36.764   0.205   17.4     4      151.1      917.9
   17   1   3   1 19.314  38.628   0.215   15.6     4       33.8       41.3
   18   4   0   0 19.8    39.599   0.22    14.76    2       47.3       38.2
   19   3   1  -2 20.215  40.429   0.224   14.1     4       41.0       54.9
   20   3   1   1 20.231  40.461   0.224   14.07    4       38.0       46.8
   21   2   2  -2 20.521  41.041   0.228   13.63    4        5.8        1.1
   22   1   1   2 20.705  41.41    0.229   13.36    4      118.1      430.8
   23   0   2   2 20.764  41.528   0.23    13.28    4       36.0       39.8
   24   0   4   0 20.779  41.558   0.23    13.26    2       45.6       31.8
   25   3   3  -1 21.58   43.16    0.239   12.18    4      127.0      453.8
   26   3   3   0 21.585  43.17    0.239   12.17    4       35.6       35.7
   27   4   2  -1 21.83   43.659   0.241   11.87    4      104.2      297.9
   28   4   0  -2 22.463  44.925   0.248   11.13    2      137.2      242.0
   29   4   2   0 22.48   44.961   0.248   11.11    4        2.0        0.1
   30   0   4   1 22.739  45.479   0.251   10.82    4       64.3      103.3
   31   2   0   2 23.137  46.273   0.255   10.41    2      110.2      146.1
   32   2   4   0 23.149  46.298   0.255   10.4     4       36.3       31.6
   33   1   3  -2 23.299  46.598   0.257   10.25    4       24.3       13.9
   34   2   4  -1 23.762  47.523   0.262    9.8     4       83.2      156.9
   35   5   1  -1 24.452  48.905   0.269    9.18    4       65.8       92.0
   36   4   2  -2 24.913  49.827   0.273    8.8     4       50.7       52.3
   37   3   3  -2 25.277  50.554   0.277    8.51    4       37.7       27.9
   38   3   3   1 25.291  50.581   0.277    8.5     4       69.5       94.8
   39   2   2   2 25.538  51.076   0.28     8.32    4       12.6        3.0
   40   5   1   0 25.633  51.266   0.281    8.25    4       23.7       10.7
   41   1   3   2 25.69   51.381   0.281    8.21    4       21.9        9.1
   42   2   4   1 26.122  52.243   0.286    7.9     4       54.8       54.8
   43   4   2   1 26.654  53.308   0.291    7.54    4       64.2       71.9
   44   5   1  -2 26.754  53.508   0.292    7.48    4        9.0        1.4
   45   1   1  -3 26.809  53.618   0.293    7.45    4       43.9       33.1
   46   1   5   0 26.838  53.676   0.293    7.43    4      126.1      273.0
   47   3   1  -3 27.524  55.048   0.3      7.01    4       36.2       21.2
   48   3   1   2 27.545  55.09    0.3      7.0     4       80.4      104.5
   49   2   4  -2 27.783  55.567   0.303    6.87    4       21.1        7.1
   50   1   5  -1 27.938  55.876   0.304    6.78    4       29.3       13.5
   51   0   4   2 27.978  55.955   0.305    6.76    4      105.1      172.6
   52   2   2  -3 28.31   56.621   0.308    6.58    4      156.3      371.3
   53   4   4  -1 28.839  57.679   0.313    6.31    4       40.4       23.8
   54   5   3  -1 28.948  57.896   0.314    6.26    4      163.4      385.9
   55   1   5   1 29.014  58.029   0.315    6.22    4        7.3        0.8
   56   4   4   0 29.374  58.748   0.318    6.05    4      117.1      191.7
   57   0   2   3 29.565  59.13    0.32     5.97    4       49.8       34.2
   58   5   1   1 30.004  60.008   0.325    5.77    4       50.3       33.8
   59   5   3   0 30.005  60.01    0.325    5.77    4       12.1        2.0
   60   1   1   3 30.043  60.085   0.325    5.76    4       47.3       29.8
   61   6   0  -2 30.521  61.043   0.33     5.56    2      145.7      136.3
   62   6   0   0 30.537  61.075   0.33     5.55    2      127.3      103.9
   63   3   5  -1 30.731  61.463   0.332    5.47    4       14.8        2.8
   64   3   5   0 30.735  61.471   0.332    5.47    4      115.8      169.5
   65   4   2  -3 30.901  61.801   0.333    5.41    4       65.0       52.9
   66   5   3  -2 31.02   62.041   0.335    5.36    4        9.6        1.1
   67   6   2  -1 31.045  62.089   0.335    5.35    4       81.0       81.1
   68   1   3  -3 31.07   62.14    0.335    5.34    4      156.5      302.4
   69   4   4  -2 31.425  62.851   0.338    5.21    4       50.4       30.5
   70   4   0   2 31.431  62.862   0.338    5.21    2      149.9      135.1
   71   3   3  -3 31.723  63.447   0.341    5.1     4       65.9       51.2
   72   3   3   2 31.743  63.485   0.342    5.1     4       25.3        7.5
   73   2   4   2 31.964  63.928   0.344    5.02    4        3.4        0.1
   74   5   1  -3 32.016  64.032   0.344    5.0     4       62.9       45.7
   75   1   5  -2 32.095  64.19    0.345    4.97    4       44.7       23.0
   76   0   6   0 32.151  64.302   0.345    4.96    2      145.3      120.9
   77   6   2  -2 32.544  65.088   0.349    4.83    4       26.5        7.9
   78   6   2   0 32.559  65.119   0.349    4.82    4        1.5        0.0
   79   4   4   1 32.938  65.876   0.353    4.7     4       10.3        1.2
   80   4   2   2 33.423  66.846   0.358    4.56    4       77.0       62.6
   81   0   6   1 33.631  67.262   0.36     4.5     4        9.0        0.8
   82   3   5  -2 33.721  67.441   0.36     4.48    4      161.6      270.1
   83   3   5   1 33.732  67.464   0.36     4.47    4       29.5        9.0
   84   2   6   0 33.949  67.898   0.363    4.41    4        8.3        0.7
   85   5   3   1 34.018  68.036   0.363    4.39    4      187.1      355.4
   86   1   3   3 34.054  68.109   0.363    4.38    4       54.3       29.9
   87   1   5   2 34.068  68.135   0.364    4.38    4       84.1       71.6
   88   2   4  -3 34.407  68.815   0.367    4.29    4       87.8       76.5
   89   2   2   3 34.411  68.823   0.367    4.29    4      120.9      145.0
   90   2   6  -1 34.43   68.861   0.367    4.29    4       40.2       16.0
   91   7   1  -1 34.922  69.844   0.372    4.16    4        2.6        0.1
   92   0   4   3 35.539  71.077   0.377    4.02    4        9.9        0.9
   93   2   0  -4 35.825  71.65    0.38     3.96    2       10.9        0.5
   94   7   1  -2 35.866  71.732   0.38     3.95    4      145.0      191.7
   95   5   3  -3 35.91   71.819   0.381    3.94    4      108.3      106.7
   96   2   6   1 36.341  72.683   0.385    3.85    4       23.9        5.1
   97   3   1  -4 36.56   73.121   0.387    3.8     4      128.3      144.7
   98   3   1   3 36.586  73.171   0.387    3.8     4       10.0        0.9
   99   4   4  -3 36.758  73.517   0.388    3.77    4        2.9        0.1
  100   7   1   0 36.826  73.651   0.389    3.75    4       80.1       55.6
  101   6   2  -3 36.866  73.731   0.389    3.75    4       42.2       15.4
  102   5   1   2 36.875  73.75    0.39     3.74    4       11.9        1.2
  103   5   5  -1 36.878  73.756   0.39     3.74    4       22.5        4.4
  104   6   4  -1 36.891  73.781   0.39     3.74    4       11.4        1.1
  105   6   2   1 36.895  73.789   0.39     3.74    4      103.8       93.1
  106   1   1  -4 36.895  73.791   0.39     3.74    4       14.9        1.9
  107   4   0  -4 37.208  74.415   0.393    3.68    2      104.3       46.3
  108   2   2  -4 37.705  75.41    0.397    3.59    4        1.3        0.0
  109   2   6  -2 37.738  75.475   0.397    3.59    4       40.7       13.7
  110   5   5   0 37.817  75.633   0.398    3.57    4       16.9        2.4
  111   0   0   4 37.872  75.744   0.398    3.57    2      150.9       93.8
  112   0   6   2 37.903  75.807   0.399    3.56    4      150.3      185.8
  113   6   4  -2 38.28   76.559   0.402    3.5     4       57.4       26.7
  114   6   4   0 38.294  76.588   0.402    3.5     4        9.6        0.7
  115   4   6  -1 38.645  77.29    0.405    3.44    4        3.2        0.1
  116   7   3  -1 38.683  77.366   0.406    3.44    4       18.8        2.8
  117   5   5  -2 38.73   77.46    0.406    3.43    4       34.1        9.2
  118   1   5  -3 38.775  77.55    0.407    3.42    4       15.5        1.9
  119   1   7   0 38.799  77.598   0.407    3.42    4       36.7       10.6
  120   4   2  -4 39.064  78.127   0.409    3.38    4        2.7        0.1
  121   4   4   2 39.102  78.205   0.409    3.37    4       75.3       44.3
  122   4   6   0 39.11   78.22    0.409    3.37    4       54.8       23.5
  123   3   5  -3 39.368  78.737   0.412    3.34    4       24.2        4.5
  124   3   5   2 39.386  78.772   0.412    3.34    4      155.6      186.6
  125   7   1  -3 39.579  79.157   0.414    3.31    4        3.1        0.1
  126   7   3  -2 39.594  79.187   0.414    3.31    4       13.3        1.4
  127   5   1  -4 39.616  79.232   0.414    3.3     4       18.0        2.5
  128   1   7  -1 39.716  79.432   0.415    3.29    4       87.9       58.7
  129   0   2   4 39.718  79.437   0.415    3.29    4       31.1        7.4
  130   2   4   3 40.034  80.069   0.418    3.25    4       39.2       11.5
  131   3   3  -4 40.266  80.532   0.42     3.22    4       17.8        2.4
  132   3   3   3 40.291  80.581   0.42     3.22    4       31.7        7.5
  133   7   3   0 40.523  81.047   0.422    3.19    4       34.2        8.6
  134   5   3   2 40.571  81.143   0.422    3.19    4        5.6        0.2
  135   1   3  -4 40.591  81.182   0.422    3.18    4        3.8        0.1
  136   1   1   4 40.594  81.188   0.422    3.18    4       27.0        5.4
  137   1   7   1 40.631  81.262   0.423    3.18    4       97.6       69.9
  138   8   0  -2 40.816  81.631   0.424    3.16    2       57.7       12.2
  139   4   6  -2 40.928  81.856   0.425    3.15    4       28.9        6.1
  140   2   6   2 41.414  82.828   0.429    3.09    4       23.5        4.0
  141   7   1   1 41.433  82.867   0.43     3.09    4       12.0        1.0
  142   5   5   1 41.488  82.975   0.43     3.09    4       27.5        5.4
  143   1   5   3 41.521  83.043   0.43     3.08    4       29.2        6.1
  144   6   0  -4 41.907  83.813   0.434    3.05    2      162.5       92.9
  145   6   0   2 41.949  83.897   0.434    3.04    2       34.3        4.1
  146   3   7  -1 42.126  84.252   0.435    3.03    4       19.8        2.8
  147   3   7   0 42.13   84.259   0.435    3.03    4        2.5        0.0
  148   8   2  -1 42.188  84.376   0.436    3.02    4       81.9       46.8
  149   4   2   3 42.283  84.567   0.437    3.01    4       16.4        1.9
  150   4   6   1 42.301  84.602   0.437    3.01    4       12.5        1.1
  151   6   4  -3 42.379  84.759   0.438    3.0     4       21.1        3.1
  152   6   4   1 42.407  84.814   0.438    3.0     4       39.7       11.0
  153   8   2  -2 42.631  85.261   0.44     2.98    4       12.0        1.0
  154   8   0   0 42.646  85.292   0.44     2.98    2       98.5       33.4
  155   2   4  -4 43.191  86.382   0.444    2.94    4       48.3       15.8
  156   2   0   4 43.196  86.392   0.444    2.94    2       45.6        7.1
  157   7   3  -3 43.215  86.431   0.444    2.94    4        3.9        0.1
  158   5   3  -4 43.252  86.505   0.445    2.94    4        4.7        0.2
  159   5   5  -3 43.272  86.543   0.445    2.93    4       29.0        5.7
  160   1   7  -2 43.343  86.686   0.446    2.93    4       28.9        5.6
  161   2   6  -3 43.661  87.321   0.448    2.91    4       19.9        2.7
  162   6   2  -4 43.715  87.43    0.449    2.9     4       20.3        2.8
  163   6   2   2 43.757  87.514   0.449    2.9     4       24.8        4.1
  164   1   3   4 44.217  88.433   0.453    2.87    4       21.9        3.2
  165   8   2   0 44.451  88.903   0.455    2.86    4        2.0        0.0
  166   4   4  -4 44.514  89.029   0.455    2.85    4       63.8       26.8
  167   0   6   3 44.724  89.447   0.457    2.84    4       10.2        0.7
  168   3   7  -2 44.827  89.653   0.458    2.84    4       30.7        6.2
  169   3   7   1 44.837  89.674   0.458    2.84    4       30.5        6.1
  170   2   2   4 45.0    90.0     0.459    2.83    4       37.6        9.3


  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   7.044  14.088  6.28147     1205.0     54.4     55.0     5.6
    2   2   0   0   9.751  19.502  4.54802      155.6      7.0      7.1     5.6
    3   1   1  -1  10.095  20.189  4.39476      563.0     25.4     25.6     5.6
    4   0   2   0  10.217  20.435  4.34245      402.2     18.2     18.3     5.6
    5   1   1   1  12.448  24.896  3.57347      223.0     10.1     10.1     5.6
    6   2   2   0  14.197  28.394  3.14073       44.2      2.0      2.0     5.6
    7   2   2  -1  15.111  30.222  2.95474     2215.9    100.0    100.0     5.6
    8   3   1   0  15.61   31.22   2.86258     1191.8     53.8     53.7     5.6
    9   1   3   0  16.214  32.428  2.75862       31.5      1.4      1.4     5.6
   10   1   3  -1  17.82   35.639  2.51706      726.4     32.8     32.6     5.7
   11   0   0   2  17.876  35.751  2.50946      869.9     39.3     39.1     5.7
   12   2   2   1  18.382  36.764  2.44259      917.9     41.4     41.2     5.7
   13   1   3   1  19.314  38.628  2.32891       41.3      1.9      1.8     5.7
   14   4   0   0  19.8    39.599  2.27401       38.2      1.7      1.7     5.7
   15   3   1  -2  20.215  40.429  2.22923      101.7      4.6      4.5     5.7
   16   1   1   2  20.705  41.41   2.17868      430.8     19.4     19.2     5.7
   17   0   2   2  20.764  41.528  2.17275       71.6      3.2      3.2     5.7
   18   3   3  -1  21.58   43.16   2.09429      489.6     22.1     21.8     5.7
   19   4   2  -1  21.83   43.659  2.07148      297.9     13.4     13.3     5.7
   20   4   0  -2  22.463  44.925  2.01602      242.1     10.9     10.8     5.7
   21   0   4   1  22.739  45.479  1.99275      103.3      4.7      4.6     5.7
   22   2   0   2  23.137  46.273  1.96037      177.7      8.0      7.9     5.7
   23   2   4  -1  23.762  47.523  1.91168      156.9      7.1      7.0     5.7
   24   5   1  -1  24.452  48.905  1.86087       92.0      4.2      4.1     5.7
   25   4   2  -2  24.913  49.827  1.82857       52.3      2.4      2.3     5.7
   26   3   3   1  25.291  50.581  1.80305      122.7      5.5      5.4     5.8
   27   2   4   1  26.122  52.243  1.74954       54.8      2.5      2.4     5.8
   28   4   2   1  26.654  53.308  1.71706       71.9      3.2      3.2     5.8
   29   1   1  -3  26.809  53.618  1.70788       33.1      1.5      1.5     5.8
   30   1   5   0  26.838  53.676  1.70615      273.0     12.3     12.0     5.8
   31   3   1   2  27.545  55.09   1.66566      125.8      5.7      5.5     5.8
   32   0   4   2  27.978  55.955  1.64195      172.6      7.8      7.6     5.8
   33   2   2  -3  28.31   56.621  1.62421      371.3     16.8     16.3     5.8
   34   4   4  -1  28.839  57.679  1.59691       23.8      1.1      1.0     5.8
   35   5   3  -1  28.948  57.896  1.59143      385.9     17.4     16.9     5.8
   36   4   4   0  29.374  58.748  1.57037      191.7      8.7      8.4     5.8
   37   0   2   3  29.565  59.13   1.56112       34.2      1.5      1.5     5.8
   38   5   1   1  30.004  60.008  1.54037       35.7      1.6      1.6     5.8
   39   1   1   3  30.043  60.085  1.53858       29.8      1.3      1.3     5.8
   40   6   0  -2  30.521  61.043  1.51672      240.2     10.8     10.5     5.8
   41   3   5   0  30.735  61.471  1.50718      172.2      7.8      7.5     5.8
   42   4   2  -3  30.901  61.801  1.49991       52.9      2.4      2.3     5.8
   43   1   3  -3  31.07   62.14   1.49254      384.7     17.4     16.7     5.8
   44   4   0   2  31.431  62.862  1.47713      165.6      7.5      7.2     5.9
   45   3   3  -3  31.723  63.447  1.46492       58.7      2.6      2.5     5.9
   46   5   1  -3  32.016  64.032  1.45294       45.7      2.1      2.0     5.9
   47   1   5  -2  32.095  64.19   1.44974       23.0      1.0      1.0     5.9
   48   0   6   0  32.151  64.302  1.44748      120.9      5.5      5.2     5.9
   49   4   2   2  33.423  66.846  1.39844       62.6      2.8      2.7     5.9
   50   3   5  -2  33.721  67.441  1.38753      279.1     12.6     12.0     5.9
   51   5   3   1  34.018  68.036  1.37684      355.4     16.0     15.3     5.9
   52   1   5   2  34.068  68.135  1.37508      101.5      4.6      4.4     5.9
   53   2   2   3  34.411  68.823  1.36301      237.6     10.7     10.2     5.9
   54   7   1  -2  35.866  71.732  1.31471      191.7      8.7      8.2     5.9
   55   5   3  -3  35.91   71.819  1.31333      106.7      4.8      4.6     5.9
   56   3   1  -4  36.56   73.121  1.29313      145.6      6.6      6.2     6.0
   57   7   1   0  36.826  73.651  1.28513       55.6      2.5      2.4     6.0
   58   6   2   1  36.895  73.789  1.28306      117.1      5.3      5.0     6.0
   59   4   0  -4  37.208  74.415  1.27381       46.3      2.1      2.0     6.0
   60   0   0   4  37.872  75.744  1.25473       93.8      4.2      4.0     6.0
   61   0   6   2  37.903  75.807  1.25385      185.8      8.4      7.9     6.0
   62   6   4  -2  38.28   76.559  1.24339       27.4      1.2      1.2     6.0
   63   4   4   2  39.102  78.205  1.22129       67.7      3.1      2.9     6.0
   64   3   5   2  39.386  78.772  1.21391      191.1      8.6      8.1     6.0
   65   1   7  -1  39.716  79.432  1.20548       66.1      3.0      2.8     6.0
   66   1   7   1  40.631  81.262  1.18289       69.9      3.2      2.9     6.1
   67   6   0  -4  41.907  83.813  1.15325       92.9      4.2      3.9     6.1
   68   8   2  -1  42.188  84.376  1.14699       46.8      2.1      2.0     6.1
   69   8   0   0  42.646  85.292  1.137         33.4      1.5      1.4     6.1
   70   2   4  -4  43.191  86.382  1.12543       23.0      1.0      1.0     6.1
   71   4   4  -4  44.514  89.029  1.09869       26.8      1.2      1.1     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)