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

1, at 295'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 =   9.5531   alpha =   90.0 
             b =   8.6983   beta  =  107.63
             c =   5.2684   gamma =   90.0 

    Unit cell volume (cub. angs.) =   417.22

    Molar volume ( cub.cm/mol.) =    62.83

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

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

   1 0.0     0.3004  0.25     0.0    Na    = 1.00
   2 0.0     0.9019  0.25     0.0    Ga    = 1.00
   3 0.2912  0.0911  0.2322   0.0    Si    = 1.00
   4 0.1119  0.078   0.1337   0.0    O     = 1.00
   5 0.3587  0.2589  0.3017   0.0    O     = 1.00
   6 0.3526  0.0096  0.0079   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.3004     0.25  
     2       2     0.0        0.9019     0.25  
     3       3     0.2912     0.0911     0.2322
     4       4     0.1119     0.078      0.1337
     5       5     0.3587     0.2589     0.3017
     6       6     0.3526     0.0096     0.0079
     7       1     0.0        0.6996     0.75  
     8       2     0.0        0.0981     0.75  
     9       3     0.7088     0.9089     0.7678
    10       4     0.8881     0.922      0.8663
    11       5     0.6413     0.7411     0.6983
    12       6     0.6474     0.9904     0.9921
    13       3     0.2912     0.9089     0.7322
    14       4     0.1119     0.922      0.6337
    15       5     0.3587     0.7411     0.8017
    16       6     0.3526     0.9904     0.5079
    17       3     0.7088     0.0911     0.2678
    18       4     0.8881     0.078      0.3663
    19       5     0.6413     0.2589     0.1983
    20       6     0.6474     0.0096     0.4921
    21       1     0.5        0.1996     0.75  
    22       2     0.5        0.5981     0.75  
    23       3     0.7912     0.4089     0.7322
    24       4     0.6119     0.422      0.6337
    25       5     0.8587     0.2411     0.8017
    26       6     0.8526     0.4904     0.5079
    27       1     0.5        0.8004     0.25  
    28       2     0.5        0.4019     0.25  
    29       3     0.2088     0.5911     0.2678
    30       4     0.3881     0.578      0.3663
    31       5     0.1413     0.7589     0.1983
    32       6     0.1474     0.5096     0.4921
    33       3     0.7912     0.5911     0.2322
    34       4     0.6119     0.578      0.1337
    35       5     0.8587     0.7589     0.3017
    36       6     0.8526     0.5096     0.0079
    37       3     0.2088     0.4089     0.7678
    38       4     0.3881     0.422      0.8663
    39       5     0.1413     0.2411     0.6983
    40       6     0.1474     0.4904     0.9921


X-ray density (g/cm cub.)   =      3.9 

MU (1/cm) =     158.096    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
                                                 2.3781       4
                                                 2.3781       4
                                                 2.3948       5
                                                 2.7782       6
                                                 2.415        6
                                                 2.415        6
                                                 2.3948       5
                                                 2.7782       6
    2    Ga                  2.376        6
                                                 2.0646       4
                                                 1.9874       4
                                                 1.9874       4
                                                 2.0646       4
                                                 1.9142       5
                                                 1.9142       5
    3    Si                  2.1          4
                                                 1.6362       4
                                                 1.5933       5
                                                 1.6326       6
                                                 1.6446       6
    4    O                   3.264       11
                                                 2.7489       5
                                                 2.6472       6
                                                 2.5637       4
                                                 2.9635       4
                                                 2.9635       4
                                                 2.6479       6
                                                 2.7676       4
                                                 2.8906       5
                                                 2.8002       5
                                                 3.23         5
                                                 2.7821       5
    5    O                   3.264       10
                                                 2.7489       4
                                                 2.6552       6
                                                 2.5839       6
                                                 2.9106       5
                                                 2.8906       4
                                                 2.8002       4
                                                 3.23         4
                                                 2.7821       4
                                                 3.232        5
                                                 2.9661       6
    6    O                   3.264        9
                                                 2.6472       4
                                                 2.6552       5
                                                 2.8464       6
                                                 2.6479       4
                                                 2.5839       5
                                                 2.6395       6
                                                 2.6395       6
                                                 3.1756       6
                                                 2.9661       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  7.035  14.07    0.079  130.38    4       63.2     1196.7
    2   2   0   0  9.742  19.484   0.11    66.93    2       44.6      152.8
    3   1   1  -1 10.087  20.173   0.114   62.29    4       63.2      571.0
    4   0   2   0 10.201  20.403   0.115   60.85    2       75.4      397.1
    5   1   1   1 12.439  24.878   0.14    40.24    4       49.1      222.5
    6   0   2   1 13.551  27.102   0.152   33.58    4       10.9        9.2
    7   2   2   0 14.179  28.358   0.159   30.5     4       26.0       47.3
    8   2   2  -1 15.094  30.188   0.169   26.69    4      190.3     2219.7
    9   3   1  -1 15.588  31.177   0.174   24.9     4       37.3       79.8
   10   3   1   0 15.594  31.188   0.174   24.88    4      139.3     1108.9
   11   1   3   0 16.189  32.379   0.181   22.95    4       25.0       32.9
   12   2   0  -2 17.59   35.18    0.196   19.16    2        8.1        1.5
   13   1   3  -1 17.796  35.592   0.198   18.68    4      124.1      660.6
   14   1   1  -2 17.797  35.594   0.198   18.68    4       36.7       57.8
   15   0   0   2 17.868  35.736   0.199   18.51    2      201.9      867.1
   16   2   2   1 18.364  36.728   0.205   17.43    4      151.0      913.9
   17   1   3   1 19.29   38.58    0.214   15.64    4       33.8       41.0
   18   4   0   0 19.781  39.561   0.22    14.79    2       47.7       38.7
   19   3   1  -2 20.2    40.401   0.224   14.12    4       41.1       54.9
   20   3   1   1 20.214  40.427   0.224   14.1     4       37.8       46.3
   21   2   2  -2 20.504  41.009   0.227   13.66    4        5.1        0.8
   22   1   1   2 20.693  41.386   0.229   13.38    4      118.2      429.5
   23   0   4   0 20.746  41.491   0.23    13.3     2       45.5       31.7
   24   0   2   2 20.749  41.498   0.23    13.3     4       36.9       41.6
   25   3   3  -1 21.553  43.105   0.238   12.21    4      126.8      451.1
   26   3   3   0 21.557  43.114   0.238   12.21    4       34.7       33.8
   27   4   2  -1 21.806  43.612   0.241   11.9     4      104.5      298.5
   28   4   0  -2 22.446  44.891   0.248   11.15    2      136.5      238.6
   29   4   2   0 22.455  44.911   0.248   11.14    4        1.6        0.1
   30   0   4   1 22.707  45.414   0.251   10.86    4       64.8      104.9
   31   2   4   0 23.114  46.228   0.255   10.43    4       37.2       33.2
   32   2   0   2 23.123  46.246   0.255   10.42    2      109.7      144.2
   33   1   3  -2 23.276  46.552   0.257   10.27    4       23.2       12.7
   34   2   4  -1 23.728  47.455   0.261    9.83    4       82.7      154.7
   35   5   1  -1 24.428  48.855   0.268    9.2     4       65.9       92.0
   36   4   2  -2 24.89   49.781   0.273    8.82    4       50.3       51.3
   37   3   3  -2 25.251  50.501   0.277    8.53    4       38.9       29.7
   38   3   3   1 25.262  50.524   0.277    8.53    4       69.9       95.8
   39   2   2   2 25.518  51.037   0.28     8.33    4       12.7        3.1
   40   5   1   0 25.607  51.214   0.281    8.27    4       24.1       11.1
   41   1   3   2 25.666  51.333   0.281    8.22    4       21.5        8.7
   42   2   4   1 26.087  52.173   0.285    7.92    4       54.0       53.2
   43   4   2   1 26.628  53.256   0.291    7.56    4       64.4       72.0
   44   5   1  -2 26.731  53.461   0.292    7.5     4        9.2        1.5
   45   1   5   0 26.794  53.588   0.293    7.46    4      126.6      274.8
   46   1   1  -3 26.796  53.592   0.293    7.45    4       44.9       34.5
   47   3   1  -3 27.508  55.016   0.3      7.02    4       36.4       21.3
   48   3   1   2 27.525  55.051   0.3      7.01    4       80.0      103.1
   49   2   4  -2 27.75   55.5     0.302    6.88    4       21.7        7.4
   50   1   5  -1 27.895  55.789   0.304    6.8     4       28.0       12.3
   51   0   4   2 27.945  55.891   0.304    6.78    4      105.1      172.0
   52   2   2  -3 28.292  56.585   0.308    6.59    4      156.1      368.7
   53   4   4  -1 28.8    57.6     0.313    6.33    4       39.3       22.5
   54   5   3  -1 28.913  57.826   0.314    6.27    4      163.7      386.2
   55   1   5   1 28.971  57.941   0.314    6.24    4        6.1        0.5
   56   4   4   0 29.334  58.668   0.318    6.07    4      117.7      193.4
   57   0   2   3 29.547  59.094   0.32     5.97    4       50.2       34.5
   58   5   3   0 29.969  59.937   0.324    5.79    4       10.7        1.5
   59   5   1   1 29.976  59.952   0.324    5.78    4       50.5       33.9
   60   1   1   3 30.027  60.053   0.325    5.76    4       47.3       29.6
   61   6   0  -2 30.493  60.986   0.329    5.57    2      145.6      135.7
   62   6   0   0 30.506  61.012   0.33     5.56    2      127.4      103.7
   63   3   5  -1 30.685  61.37    0.331    5.49    4       16.6        3.5
   64   3   5   0 30.688  61.376   0.331    5.49    4      115.3      167.6
   65   4   2  -3 30.877  61.754   0.333    5.41    4       65.5       53.4
   66   5   3  -2 30.986  61.972   0.334    5.37    4        9.2        1.0
   67   6   2  -1 31.01   62.02    0.334    5.36    4       80.9       80.6
   68   1   3  -3 31.046  62.091   0.335    5.35    4      156.6      301.6
   69   4   4  -2 31.387  62.774   0.338    5.22    4       51.1       31.4
   70   4   0   2 31.407  62.814   0.338    5.22    2      150.2      135.2
   71   3   3  -3 31.696  63.393   0.341    5.11    4       65.9       51.0
   72   3   3   2 31.712  63.424   0.341    5.11    4       26.0        7.9
   73   2   4   2 31.928  63.857   0.343    5.03    4        4.1        0.2
   74   5   1  -3 31.992  63.983   0.344    5.01    4       62.6       45.2
   75   1   5  -2 32.052  64.104   0.344    4.99    4       44.6       22.8
   76   0   6   0 32.095  64.191   0.345    4.97    2      145.0      120.2
   77   6   2  -2 32.51   65.021   0.349    4.84    4       27.1        8.2
   78   6   2   0 32.523  65.046   0.349    4.83    4        1.1        0.0
   79   4   4   1 32.896  65.793   0.353    4.72    4        9.1        0.9
   80   4   2   2 33.394  66.788   0.357    4.57    4       77.0       62.2
   81   0   6   1 33.576  67.151   0.359    4.52    4        7.0        0.5
   82   3   5  -2 33.675  67.349   0.36     4.49    4      161.7      269.7
   83   3   5   1 33.684  67.368   0.36     4.49    4       31.0        9.9
   84   2   6   0 33.892  67.783   0.362    4.43    4        7.7        0.6
   85   5   3   1 33.98   67.96    0.363    4.4     4      186.6      352.4
   86   1   5   2 34.023  68.047   0.363    4.39    4       84.9       72.7
   87   1   3   3 34.027  68.055   0.363    4.39    4       53.6       28.9
   88   2   4  -3 34.373  68.746   0.366    4.3     4       86.5       73.9
   89   2   6  -1 34.374  68.747   0.366    4.3     4       40.3       16.1
   90   2   2   3 34.388  68.775   0.367    4.3     4      121.2      145.0
   91   7   1  -1 34.884  69.768   0.371    4.17    4        2.9        0.1
   92   0   4   3 35.505  71.009   0.377    4.03    4       10.4        1.0
   93   2   0  -4 35.808  71.615   0.38     3.96    2       11.4        0.6
   94   7   1  -2 35.829  71.658   0.38     3.96    4      144.8      190.6
   95   5   3  -3 35.875  71.75    0.38     3.95    4      108.3      106.3
   96   2   6   1 36.283  72.567   0.384    3.86    4       25.2        5.6
   97   3   1  -4 36.54   73.081   0.386    3.81    4      128.6      144.8
   98   3   1   3 36.561  73.122   0.387    3.8     4       10.0        0.9
   99   4   4  -3 36.719  73.438   0.388    3.77    4        2.6        0.1
  100   7   1   0 36.785  73.57    0.389    3.76    4       80.1       55.4
  101   5   5  -1 36.824  73.647   0.389    3.75    4       21.8        4.1
  102   6   2  -3 36.832  73.664   0.389    3.75    4       42.0       15.2
  103   6   4  -1 36.841  73.683   0.389    3.75    4       10.8        1.0
  104   5   1   2 36.843  73.686   0.389    3.75    4       11.4        1.1
  105   6   2   1 36.856  73.711   0.389    3.75    4      104.4       93.8
  106   1   1  -4 36.877  73.754   0.39     3.74    4       15.2        2.0
  107   4   0  -4 37.186  74.372   0.392    3.69    2      103.5       45.4
  108   2   6  -2 37.681  75.361   0.397    3.6     4       41.2       14.1
  109   2   2  -4 37.683  75.365   0.397    3.6     4        1.7        0.0
  110   5   5   0 37.761  75.522   0.397    3.58    4       17.3        2.5
  111   0   6   2 37.847  75.695   0.398    3.57    4      150.3      185.3
  112   0   0   4 37.854  75.708   0.398    3.57    2      151.2       93.7
  113   6   4  -2 38.231  76.463   0.402    3.51    4       58.1       27.2
  114   6   4   0 38.243  76.486   0.402    3.5     4        9.5        0.7
  115   4   6  -1 38.583  77.165   0.405    3.45    4        4.1        0.1
  116   7   3  -1 38.635  77.27    0.405    3.44    4       19.0        2.9
  117   5   5  -2 38.676  77.353   0.406    3.44    4       34.2        9.2
  118   1   7   0 38.729  77.457   0.406    3.43    4       35.0        9.7
  119   1   5  -3 38.73   77.46    0.406    3.43    4       15.3        1.9
  120   4   2  -4 39.037  78.074   0.409    3.38    4        2.5        0.0
  121   4   6   0 39.047  78.093   0.409    3.38    4       54.5       23.1
  122   4   4   2 39.058  78.116   0.409    3.38    4       76.1       44.9
  123   3   5  -3 39.321  78.642   0.411    3.34    4       25.9        5.1
  124   3   5   2 39.336  78.672   0.411    3.34    4      155.4      185.5
  125   7   1  -3 39.541  79.083   0.413    3.31    4        2.5        0.0
  126   7   3  -2 39.547  79.093   0.413    3.31    4       13.0        1.3
  127   5   1  -4 39.589  79.178   0.414    3.31    4       17.5        2.3
  128   1   7  -1 39.646  79.291   0.414    3.3     4       88.8       59.9
  129   0   2   4 39.695  79.389   0.415    3.29    4       30.1        6.8
  130   2   4   3 39.995  79.99    0.417    3.26    4       39.4       11.6
  131   3   3  -4 40.235  80.471   0.419    3.23    4       17.3        2.2
  132   3   3   3 40.256  80.511   0.419    3.22    4       32.5        7.8
  133   7   3   0 40.473  80.946   0.421    3.2     4       34.5        8.7
  134   5   3   2 40.529  81.058   0.422    3.19    4        4.8        0.2
  135   1   7   1 40.56   81.12    0.422    3.19    4       97.9       70.2
  136   1   3  -4 40.562  81.124   0.422    3.19    4        4.7        0.2
  137   1   1   4 40.571  81.143   0.422    3.19    4       27.3        5.5
  138   8   0  -2 40.771  81.543   0.424    3.16    2       58.3       12.3
  139   4   6  -2 40.865  81.731   0.425    3.15    4       28.2        5.7
  140   2   6   2 41.354  82.708   0.429    3.1     4       22.6        3.6
  141   7   1   1 41.389  82.779   0.429    3.1     4       12.3        1.1
  142   5   5   1 41.429  82.859   0.43     3.09    4       26.6        5.0
  143   1   5   3 41.474  82.948   0.43     3.09    4       28.0        5.6
  144   6   0  -4 41.875  83.75    0.433    3.05    2      163.2       93.4
  145   6   0   2 41.91   83.819   0.434    3.05    2       34.0        4.1
  146   3   7  -1 42.052  84.103   0.435    3.03    4       20.3        2.9
  147   3   7   0 42.054  84.109   0.435    3.03    4        3.6        0.1
  148   8   2  -1 42.137  84.274   0.435    3.03    4       82.0       46.7
  149   4   6   1 42.235  84.471   0.436    3.02    4       13.1        1.2
  150   4   2   3 42.249  84.497   0.436    3.02    4       16.2        1.8
  151   6   4  -3 42.33   84.66    0.437    3.01    4       21.5        3.2
  152   6   4   1 42.353  84.706   0.437    3.01    4       39.7       10.9
  153   8   2  -2 42.581  85.162   0.439    2.99    4       12.3        1.0
  154   8   0   0 42.597  85.194   0.439    2.99    2       98.4       33.2
  155   2   4  -4 43.152  86.305   0.444    2.94    4       49.4       16.5
  156   7   3  -3 43.168  86.335   0.444    2.94    4        4.1        0.1
  157   2   0   4 43.17   86.341   0.444    2.94    2       45.2        6.9
  158   5   3  -4 43.215  86.429   0.444    2.94    4        4.0        0.1
  159   5   5  -3 43.216  86.433   0.444    2.94    4       27.7        5.2
  160   1   7  -2 43.271  86.541   0.445    2.93    4       30.6        6.3
  161   2   6  -3 43.601  87.202   0.448    2.91    4       20.3        2.8
  162   6   2  -4 43.678  87.356   0.448    2.91    4       20.1        2.7
  163   6   2   2 43.712  87.425   0.449    2.9     4       25.9        4.5
  164   1   3   4 44.183  88.367   0.452    2.87    4       22.5        3.4
  165   8   2   0 44.397  88.794   0.454    2.86    4        2.5        0.0
  166   4   4  -4 44.472  88.943   0.455    2.86    4       64.1       27.0
  167   0   6   3 44.664  89.327   0.456    2.85    4        8.9        0.5
  168   3   7  -2 44.751  89.502   0.457    2.84    4       30.3        6.0
  169   3   7   1 44.759  89.519   0.457    2.84    4       30.8        6.2
  170   2   2   4 44.969  89.938   0.459    2.83    4       38.0        9.4
  171   7   3   1 44.993  89.987   0.459    2.83    4        6.4        0.3


  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   7.035  14.07   6.28931     1196.7     53.9     54.5     5.6
    2   2   0   0   9.742  19.484  4.55223      152.8      6.9      6.9     5.6
    3   1   1  -1  10.087  20.173  4.39811      571.0     25.7     25.9     5.6
    4   0   2   0  10.201  20.403  4.34915      397.1     17.9     18.0     5.6
    5   1   1   1  12.439  24.878  3.57605      222.5     10.0     10.1     5.6
    6   2   2   0  14.179  28.358  3.14466       47.3      2.1      2.1     5.6
    7   2   2  -1  15.094  30.188  2.95798     2219.7    100.0    100.0     5.6
    8   3   1   0  15.594  31.188  2.86542     1188.6     53.5     53.5     5.6
    9   1   3   0  16.189  32.379  2.76272       32.9      1.5      1.5     5.6
   10   1   3  -1  17.796  35.592  2.5203       718.3     32.4     32.2     5.7
   11   0   0   2  17.868  35.736  2.51049      867.1     39.1     38.9     5.7
   12   2   2   1  18.364  36.728  2.44492      913.9     41.2     40.9     5.7
   13   1   3   1  19.29   38.58   2.33169       41.0      1.8      1.8     5.7
   14   4   0   0  19.781  39.561  2.27612       38.7      1.7      1.7     5.7
   15   3   1  -2  20.2    40.401  2.23073      101.1      4.6      4.5     5.7
   16   1   1   2  20.693  41.386  2.17986      429.5     19.4     19.2     5.7
   17   0   2   2  20.749  41.498  2.17426       73.3      3.3      3.3     5.7
   18   3   3  -1  21.553  43.105  2.09682      484.9     21.8     21.6     5.7
   19   4   2  -1  21.806  43.612  2.07365      298.5     13.5     13.3     5.7
   20   4   0  -2  22.446  44.891  2.01747      238.6     10.8     10.6     5.7
   21   0   4   1  22.707  45.414  1.99547      104.9      4.7      4.7     5.7
   22   2   0   2  23.123  46.246  1.96146      177.4      8.0      7.9     5.7
   23   2   4  -1  23.728  47.455  1.91427      154.7      7.0      6.9     5.7
   24   5   1  -1  24.428  48.855  1.86264       92.0      4.1      4.1     5.7
   25   4   2  -2  24.89   49.781  1.83015       51.3      2.3      2.3     5.7
   26   3   3   1  25.262  50.524  1.80497      125.4      5.7      5.5     5.8
   27   2   4   1  26.087  52.173  1.75171       53.2      2.4      2.3     5.8
   28   4   2   1  26.628  53.256  1.71863       72.0      3.2      3.2     5.8
   29   1   5   0  26.794  53.588  1.70875      309.3     13.9     13.6     5.8
   30   3   1   2  27.525  55.051  1.66676      124.4      5.6      5.5     5.8
   31   0   4   2  27.945  55.891  1.64369      172.0      7.8      7.5     5.8
   32   2   2  -3  28.292  56.585  1.62517      368.7     16.6     16.1     5.8
   33   4   4  -1  28.8    57.6    1.5989        22.5      1.0      1.0     5.8
   34   5   3  -1  28.913  57.826  1.5932       386.2     17.4     16.9     5.8
   35   4   4   0  29.334  58.668  1.57233      193.4      8.7      8.4     5.8
   36   0   2   3  29.547  59.094  1.56199       34.5      1.6      1.5     5.8
   37   5   1   1  29.976  59.952  1.54169       35.4      1.6      1.5     5.8
   38   1   1   3  30.027  60.053  1.53932       29.6      1.3      1.3     5.8
   39   6   0  -2  30.493  60.986  1.518        239.4     10.8     10.4     5.8
   40   3   5   0  30.688  61.376  1.50927      171.1      7.7      7.4     5.8
   41   4   2  -3  30.877  61.754  1.50094       53.4      2.4      2.3     5.8
   42   6   2  -1  31.01   62.02   1.49514       81.7      3.7      3.5     5.8
   43   1   3  -3  31.046  62.091  1.4936       301.6     13.6     13.1     5.8
   44   4   0   2  31.407  62.814  1.47814      166.5      7.5      7.2     5.9
   45   3   3  -3  31.696  63.393  1.46604       58.9      2.7      2.6     5.9
   46   5   1  -3  31.992  63.983  1.45392       45.2      2.0      2.0     5.9
   47   1   5  -2  32.052  64.104  1.45148       22.8      1.0      1.0     5.9
   48   0   6   0  32.095  64.191  1.44972      120.2      5.4      5.2     5.9
   49   4   2   2  33.394  66.788  1.39952       62.2      2.8      2.7     5.9
   50   3   5  -2  33.675  67.349  1.3892       279.6     12.6     12.0     5.9
   51   5   3   1  33.98   67.96   1.3782       352.4     15.9     15.2     5.9
   52   1   5   2  34.023  68.047  1.37666      101.7      4.6      4.4     5.9
   53   2   2   3  34.388  68.775  1.36383      235.0     10.6     10.1     5.9
   54   7   1  -2  35.829  71.658  1.31588      190.6      8.6      8.1     5.9
   55   5   3  -3  35.875  71.75   1.31443      106.3      4.8      4.5     5.9
   56   3   1  -4  36.54   73.081  1.29374      145.6      6.6      6.2     6.0
   57   7   1   0  36.785  73.57   1.28634       55.4      2.5      2.4     6.0
   58   6   2   1  36.856  73.711  1.28423      117.3      5.3      5.0     6.0
   59   4   0  -4  37.186  74.372  1.27444       45.4      2.0      1.9     6.0
   60   0   6   2  37.847  75.695  1.25543      278.9     12.6     11.8     6.0
   61   6   4  -2  38.231  76.463  1.24472       27.9      1.3      1.2     6.0
   62   4   4   2  39.058  78.116  1.22246       68.0      3.1      2.9     6.0
   63   3   5   2  39.336  78.672  1.21521      190.6      8.6      8.0     6.0
   64   1   7  -1  39.646  79.291  1.20727       59.9      2.7      2.5     6.0
   65   1   7   1  40.56   81.12   1.18461       75.8      3.4      3.2     6.1
   66   6   0  -4  41.875  83.75   1.15396       93.4      4.2      3.9     6.1
   67   8   2  -1  42.137  84.274  1.14811       46.7      2.1      1.9     6.1
   68   8   0   0  42.597  85.194  1.13806       34.3      1.5      1.4     6.1
   69   2   4  -4  43.152  86.305  1.12624       23.5      1.1      1.0     6.1
   70   4   4  -4  44.472  88.943  1.09953       27.0      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)