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       ***
                  ***********************
SILICATE-NA-GA

2, at 190'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 =   9.5472   alpha =   90.0 
             b =   8.6894   beta  =  107.63
             c =   5.2667   gamma =   90.0 

    Unit cell volume (cub. angs.) =   416.4 

    Molar volume ( cub.cm/mol.) =    62.7 

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

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

   1 0.0     0.3005  0.25     0.0    Na    = 1.00
   2 0.0     0.9022  0.25     0.0    Ga    = 1.00
   3 0.2912  0.0913  0.2324   0.0    Si    = 1.00
   4 0.1119  0.078   0.1335   0.0    O     = 1.00
   5 0.3588  0.2594  0.3022   0.0    O     = 1.00
   6 0.3528  0.0098  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        0.3005     0.25  
     2       2     0.0        0.9022     0.25  
     3       3     0.2912     0.0913     0.2324
     4       4     0.1119     0.078      0.1335
     5       5     0.3588     0.2594     0.3022
     6       6     0.3528     0.0098     0.0077
     7       1     0.0        0.6995     0.75  
     8       2     0.0        0.0978     0.75  
     9       3     0.7088     0.9087     0.7676
    10       4     0.8881     0.922      0.8665
    11       5     0.6412     0.7406     0.6978
    12       6     0.6472     0.9902     0.9923
    13       3     0.2912     0.9087     0.7324
    14       4     0.1119     0.922      0.6335
    15       5     0.3588     0.7406     0.8022
    16       6     0.3528     0.9902     0.5077
    17       3     0.7088     0.0913     0.2676
    18       4     0.8881     0.078      0.3665
    19       5     0.6412     0.2594     0.1978
    20       6     0.6472     0.0098     0.4923
    21       1     0.5        0.1995     0.75  
    22       2     0.5        0.5978     0.75  
    23       3     0.7912     0.4087     0.7324
    24       4     0.6119     0.422      0.6335
    25       5     0.8588     0.2406     0.8022
    26       6     0.8528     0.4902     0.5077
    27       1     0.5        0.8005     0.25  
    28       2     0.5        0.4022     0.25  
    29       3     0.2088     0.5913     0.2676
    30       4     0.3881     0.578      0.3665
    31       5     0.1412     0.7594     0.1978
    32       6     0.1472     0.5098     0.4923
    33       3     0.7912     0.5913     0.2324
    34       4     0.6119     0.578      0.1335
    35       5     0.8588     0.7594     0.3022
    36       6     0.8528     0.5098     0.0077
    37       3     0.2088     0.4087     0.7676
    38       4     0.3881     0.422      0.8665
    39       5     0.1412     0.2406     0.6978
    40       6     0.1472     0.4902     0.9923


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

MU (1/cm) =     158.41     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
                                                 2.3775       4
                                                 2.3775       4
                                                 2.3926       5
                                                 2.7726       6
                                                 2.4132       6
                                                 2.4132       6
                                                 2.3926       5
                                                 2.7726       6
    2    Ga                  2.376        6
                                                 2.0615       4
                                                 1.9858       4
                                                 1.9858       4
                                                 2.0615       4
                                                 1.9127       5
                                                 1.9127       5
    3    Si                  2.1          4
                                                 1.6353       4
                                                 1.594        5
                                                 1.6342       6
                                                 1.644        6
    4    O                   3.264       11
                                                 2.7492       5
                                                 2.6468       6
                                                 2.5617       4
                                                 2.962        4
                                                 2.962        4
                                                 2.6479       6
                                                 2.7678       4
                                                 2.8857       5
                                                 2.7935       5
                                                 3.2256       5
                                                 2.7802       5
    5    O                   3.264       10
                                                 2.7492       4
                                                 2.6567       6
                                                 2.5849       6
                                                 2.9106       5
                                                 2.8857       4
                                                 2.7935       4
                                                 3.2256       4
                                                 2.7802       4
                                                 3.2353       5
                                                 2.9618       6
    6    O                   3.264        9
                                                 2.6468       4
                                                 2.6567       5
                                                 2.8404       6
                                                 2.6479       4
                                                 2.5849       5
                                                 2.6389       6
                                                 2.6389       6
                                                 3.1725       6
                                                 2.9618       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  7.041  14.082   0.08   130.15    4       63.3     1204.0
    2   2   0   0  9.748  19.496   0.11    66.84    2       44.7      154.4
    3   1   1  -1 10.092  20.184   0.114   62.22    4       62.9      568.2
    4   0   2   0 10.212  20.424   0.115   60.72    2       75.6      400.5
    5   1   1   1 12.446  24.892   0.14    40.19    4       49.0      222.8
    6   0   2   1 13.561  27.123   0.152   33.53    4       11.0        9.4
    7   2   2   0 14.191  28.382   0.159   30.45    4       25.4       45.2
    8   2   2  -1 15.105  30.211   0.169   26.64    4      190.0     2218.8
    9   3   1  -1 15.598  31.196   0.175   24.87    4       37.5       80.5
   10   3   1   0 15.605  31.21    0.175   24.84    4      139.1     1109.1
   11   1   3   0 16.206  32.412   0.181   22.9     4       24.6       31.9
   12   2   0  -2 17.596  35.193   0.196   19.15    2        7.6        1.3
   13   1   1  -2 17.804  35.608   0.198   18.66    4       37.0       58.9
   14   1   3  -1 17.812  35.624   0.199   18.64    4      124.4      665.0
   15   0   0   2 17.874  35.748   0.199   18.5     2      201.7      867.8
   16   2   2   1 18.377  36.754   0.205   17.41    4      151.1      917.0
   17   1   3   1 19.307  38.613   0.215   15.61    4       33.8       41.1
   18   4   0   0 19.794  39.587   0.22    14.77    2       47.5       38.5
   19   3   1  -2 20.21   40.42    0.224   14.1     4       41.1       55.0
   20   3   1   1 20.226  40.452   0.224   14.08    4       37.9       46.7
   21   2   2  -2 20.516  41.031   0.227   13.64    4        5.4        0.9
   22   1   1   2 20.702  41.405   0.229   13.37    4      118.1      430.1
   23   0   2   2 20.76   41.52    0.23    13.28    4       36.5       40.8
   24   0   4   0 20.768  41.536   0.23    13.27    2       45.5       31.8
   25   3   3  -1 21.571  43.141   0.239   12.19    4      126.9      453.0
   26   3   3   0 21.576  43.152   0.239   12.18    4       35.3       34.9
   27   4   2  -1 21.822  43.643   0.241   11.88    4      104.2      297.6
   28   4   0  -2 22.457  44.913   0.248   11.13    2      137.0      241.2
   29   4   2   0 22.472  44.945   0.248   11.12    4        1.8        0.1
   30   0   4   1 22.729  45.457   0.251   10.84    4       64.5      103.9
   31   2   0   2 23.134  46.268   0.255   10.41    2      110.0      145.3
   32   2   4   0 23.137  46.274   0.255   10.41    4       36.6       32.1
   33   1   3  -2 23.292  46.584   0.257   10.25    4       23.9       13.5
   34   2   4  -1 23.75   47.5     0.261    9.81    4       83.1      156.3
   35   5   1  -1 24.444  48.888   0.269    9.19    4       65.8       91.9
   36   4   2  -2 24.906  49.811   0.273    8.81    4       50.7       52.1
   37   3   3  -2 25.268  50.537   0.277    8.52    4       38.2       28.7
   38   3   3   1 25.282  50.564   0.277    8.51    4       69.6       95.2
   39   2   2   2 25.533  51.066   0.28     8.32    4       12.5        3.0
   40   5   1   0 25.625  51.249   0.281    8.25    4       23.8       10.8
   41   1   3   2 25.684  51.367   0.281    8.21    4       21.7        8.9
   42   2   4   1 26.11   52.221   0.286    7.91    4       54.4       54.0
   43   4   2   1 26.647  53.293   0.291    7.55    4       64.1       71.6
   44   5   1  -2 26.746  53.492   0.292    7.49    4        9.1        1.4
   45   1   1  -3 26.806  53.612   0.293    7.45    4       44.4       33.8
   46   1   5   0 26.823  53.647   0.293    7.44    4      126.2      273.2
   47   3   1  -3 27.519  55.039   0.3      7.02    4       36.4       21.4
   48   3   1   2 27.54   55.081   0.3      7.0     4       80.2      103.9
   49   2   4  -2 27.772  55.545   0.302    6.87    4       21.4        7.2
   50   1   5  -1 27.924  55.847   0.304    6.79    4       28.8       13.0
   51   0   4   2 27.968  55.935   0.304    6.76    4      105.1      172.4
   52   2   2  -3 28.305  56.611   0.308    6.58    4      156.0      369.7
   53   4   4  -1 28.826  57.652   0.313    6.32    4       40.0       23.4
   54   5   3  -1 28.936  57.872   0.314    6.26    4      163.4      385.7
   55   1   5   1 29.0    58.0     0.315    6.23    4        6.7        0.6
   56   4   4   0 29.361  58.722   0.318    6.06    4      117.4      192.8
   57   0   2   3 29.561  59.122   0.32     5.97    4       50.1       34.5
   58   5   3   0 29.993  59.987   0.324    5.78    4       11.6        1.8
   59   5   1   1 29.996  59.992   0.325    5.78    4       50.4       33.8
   60   1   1   3 30.04   60.079   0.325    5.76    4       47.3       29.8
   61   6   0  -2 30.512  61.023   0.33     5.56    2      145.8      136.2
   62   6   0   0 30.527  61.055   0.33     5.55    2      127.3      103.8
   63   3   5  -1 30.716  61.431   0.332    5.48    4       15.3        3.0
   64   3   5   0 30.72   61.439   0.332    5.48    4      115.7      169.1
   65   4   2  -3 30.893  61.786   0.333    5.41    4       65.1       52.9
   66   5   3  -2 31.009  62.017   0.334    5.36    4        9.4        1.1
   67   6   2  -1 31.033  62.066   0.335    5.35    4       81.0       81.0
   68   1   3  -3 31.063  62.127   0.335    5.34    4      156.6      302.2
   69   4   4  -2 31.412  62.825   0.338    5.21    4       50.7       31.0
   70   4   0   2 31.425  62.85    0.338    5.21    2      150.1      135.4
   71   3   3  -3 31.715  63.43    0.341    5.1     4       65.7       50.8
   72   3   3   2 31.734  63.469   0.341    5.1     4       25.5        7.7
   73   2   4   2 31.954  63.907   0.344    5.02    4        3.5        0.1
   74   5   1  -3 32.008  64.016   0.344    5.0     4       62.8       45.5
   75   1   5  -2 32.081  64.162   0.345    4.98    4       44.5       22.8
   76   0   6   0 32.132  64.265   0.345    4.96    2      145.1      120.5
   77   6   2  -2 32.532  65.065   0.349    4.83    4       26.7        7.9
   78   6   2   0 32.548  65.095   0.349    4.83    4        1.3        0.0
   79   4   4   1 32.925  65.85    0.353    4.71    4        9.9        1.1
   80   4   2   2 33.415  66.831   0.357    4.56    4       77.1       62.5
   81   0   6   1 33.612  67.225   0.359    4.51    4        8.4        0.7
   82   3   5  -2 33.705  67.411   0.36     4.48    4      161.8      270.7
   83   3   5   1 33.717  67.433   0.36     4.48    4       30.0        9.3
   84   2   6   0 33.93   67.859   0.362    4.42    4        8.1        0.7
   85   5   3   1 34.007  68.013   0.363    4.4     4      186.8      354.0
   86   1   3   3 34.047  68.095   0.363    4.39    4       54.1       29.6
   87   1   5   2 34.054  68.107   0.363    4.38    4       84.3       71.9
   88   2   4  -3 34.397  68.794   0.367    4.29    4       87.3       75.5
   89   2   2   3 34.406  68.812   0.367    4.29    4      121.2      145.4
   90   2   6  -1 34.411  68.822   0.367    4.29    4       40.4       16.1
   91   7   1  -1 34.909  69.818   0.371    4.17    4        2.7        0.1
   92   0   4   3 35.529  71.058   0.377    4.02    4        9.9        0.9
   93   2   0  -4 35.821  71.642   0.38     3.96    2       11.4        0.6
   94   7   1  -2 35.853  71.707   0.38     3.95    4      144.9      191.4
   95   5   3  -3 35.898  71.796   0.381    3.94    4      108.2      106.5
   96   2   6   1 36.322  72.645   0.384    3.85    4       24.6        5.4
   97   3   1  -4 36.555  73.11    0.387    3.81    4      128.6      145.1
   98   3   1   3 36.581  73.161   0.387    3.8     4       10.0        0.9
   99   4   4  -3 36.745  73.491   0.388    3.77    4        2.7        0.1
  100   7   1   0 36.813  73.626   0.389    3.76    4       80.1       55.6
  101   6   2  -3 36.854  73.708   0.389    3.75    4       42.2       15.4
  102   5   5  -1 36.86   73.719   0.389    3.75    4       22.1        4.2
  103   5   1   2 36.867  73.733   0.389    3.75    4       11.6        1.2
  104   6   4  -1 36.874  73.748   0.39     3.74    4       11.1        1.1
  105   6   2   1 36.883  73.766   0.39     3.74    4      104.1       93.5
  106   1   1  -4 36.892  73.783   0.39     3.74    4       15.1        2.0
  107   4   0  -4 37.201  74.403   0.392    3.68    2      104.0       45.9
  108   2   2  -4 37.699  75.399   0.397    3.59    4        1.2        0.0
  109   2   6  -2 37.719  75.438   0.397    3.59    4       40.8       13.8
  110   5   5   0 37.798  75.597   0.398    3.58    4       17.1        2.4
  111   0   0   4 37.869  75.738   0.398    3.57    2      151.0       93.7
  112   0   6   2 37.885  75.771   0.399    3.56    4      150.1      185.3
  113   6   4  -2 38.263  76.526   0.402    3.5     4       57.7       26.9
  114   6   4   0 38.277  76.555   0.402    3.5     4        9.6        0.7
  115   4   6  -1 38.624  77.248   0.405    3.45    4        3.5        0.1
  116   7   3  -1 38.667  77.334   0.406    3.44    4       18.9        2.8
  117   5   5  -2 38.712  77.423   0.406    3.43    4       34.2        9.2
  118   1   5  -3 38.761  77.522   0.406    3.42    4       15.6        1.9
  119   1   7   0 38.775  77.551   0.407    3.42    4       36.2       10.3
  120   4   2  -4 39.056  78.111   0.409    3.38    4        2.6        0.1
  121   4   6   0 39.089  78.178   0.409    3.38    4       54.8       23.4
  122   4   4   2 39.089  78.179   0.409    3.38    4       75.7       44.7
  123   3   5  -3 39.353  78.706   0.412    3.34    4       24.8        4.7
  124   3   5   2 39.371  78.742   0.412    3.34    4      155.5      186.2
  125   7   1  -3 39.566  79.131   0.413    3.31    4        2.8        0.1
  126   7   3  -2 39.578  79.155   0.414    3.31    4       13.2        1.3
  127   5   1  -4 39.608  79.215   0.414    3.31    4       17.9        2.4
  128   1   7  -1 39.692  79.385   0.415    3.29    4       88.3       59.3
  129   0   2   4 39.713  79.427   0.415    3.29    4       30.6        7.1
  130   2   4   3 40.024  80.047   0.417    3.25    4       39.3       11.6
  131   3   3  -4 40.257  80.514   0.419    3.22    4       17.6        2.3
  132   3   3   3 40.282  80.564   0.42     3.22    4       32.1        7.7
  133   7   3   0 40.507  81.014   0.422    3.19    4       34.4        8.7
  134   5   3   2 40.56   81.119   0.422    3.19    4        5.4        0.2
  135   1   3  -4 40.584  81.168   0.422    3.18    4        4.2        0.1
  136   1   1   4 40.59   81.179   0.422    3.18    4       27.2        5.4
  137   1   7   1 40.607  81.215   0.422    3.18    4       97.8       70.2
  138   8   0  -2 40.8    81.601   0.424    3.16    2       57.9       12.2
  139   4   6  -2 40.907  81.814   0.425    3.15    4       28.7        6.0
  140   2   6   2 41.395  82.79    0.429    3.1     4       23.1        3.8
  141   7   1   1 41.421  82.841   0.429    3.09    4       12.1        1.0
  142   5   5   1 41.469  82.939   0.43     3.09    4       27.1        5.2
  143   1   5   3 41.507  83.015   0.43     3.09    4       28.8        5.9
  144   6   0  -4 41.896  83.793   0.433    3.05    2      162.6       93.0
  145   6   0   2 41.938  83.877   0.434    3.04    2       34.1        4.1
  146   3   7  -1 42.101  84.202   0.435    3.03    4       19.9        2.8
  147   3   7   0 42.105  84.209   0.435    3.03    4        3.1        0.1
  148   8   2  -1 42.171  84.342   0.436    3.02    4       81.9       46.8
  149   4   2   3 42.275  84.55    0.437    3.01    4       16.2        1.8
  150   4   6   1 42.28   84.56    0.437    3.01    4       12.7        1.1
  151   6   4  -3 42.363  84.725   0.437    3.01    4       21.3        3.1
  152   6   4   1 42.39   84.781   0.438    3.0     4       39.8       11.0
  153   8   2  -2 42.614  85.227   0.439    2.98    4       12.1        1.0
  154   8   0   0 42.63   85.261   0.44     2.98    2       98.5       33.4
  155   2   4  -4 43.18   86.36    0.444    2.94    4       48.7       16.1
  156   2   0   4 43.191  86.383   0.444    2.94    2       45.2        6.9
  157   7   3  -3 43.199  86.398   0.444    2.94    4        3.9        0.1
  158   5   3  -4 43.24   86.481   0.445    2.94    4        4.6        0.1
  159   5   5  -3 43.253  86.506   0.445    2.94    4       28.3        5.4
  160   1   7  -2 43.319  86.638   0.445    2.93    4       29.6        5.9
  161   2   6  -3 43.641  87.283   0.448    2.91    4       20.1        2.7
  162   6   2  -4 43.703  87.406   0.448    2.9     4       20.1        2.7
  163   6   2   2 43.745  87.489   0.449    2.9     4       25.3        4.3
  164   1   3   4 44.209  88.418   0.453    2.87    4       22.2        3.3
  165   8   2   0 44.434  88.868   0.454    2.86    4        2.1        0.0
  166   4   4  -4 44.501  89.002   0.455    2.85    4       64.0       26.9
  167   0   6   3 44.705  89.41    0.457    2.84    4        9.9        0.6
  168   3   7  -2 44.801  89.603   0.457    2.84    4       30.4        6.1
  169   3   7   1 44.812  89.623   0.457    2.84    4       30.6        6.1
  170   2   2   4 44.993  89.987   0.459    2.83    4       37.8        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   7.041  14.082  6.28405     1204.0     54.3     54.9     5.6
    2   2   0   0   9.748  19.496  4.54934      154.4      7.0      7.0     5.6
    3   1   1  -1  10.092  20.184  4.39581      568.2     25.6     25.8     5.6
    4   0   2   0  10.212  20.424  4.3447       400.5     18.1     18.2     5.6
    5   1   1   1  12.446  24.892  3.57412      222.8     10.0     10.1     5.6
    6   2   2   0  14.191  28.382  3.14202       45.2      2.0      2.0     5.6
    7   2   2  -1  15.105  30.211  2.95583     2218.8    100.0    100.0     5.6
    8   3   1   0  15.605  31.21   2.86349     1189.6     53.6     53.6     5.6
    9   1   3   0  16.206  32.412  2.75999       31.9      1.4      1.4     5.6
   10   1   3  -1  17.812  35.624  2.51813      723.9     32.6     32.5     5.7
   11   0   0   2  17.874  35.748  2.50964      867.8     39.1     38.9     5.7
   12   2   2   1  18.377  36.754  2.44326      917.0     41.3     41.1     5.7
   13   1   3   1  19.307  38.613  2.32978       41.1      1.9      1.8     5.7
   14   4   0   0  19.794  39.587  2.27467       38.5      1.7      1.7     5.7
   15   3   1  -2  20.21   40.42   2.22972      101.7      4.6      4.5     5.7
   16   1   1   2  20.702  41.405  2.17893      430.1     19.4     19.2     5.7
   17   0   2   2  20.76   41.52   2.17315       72.6      3.3      3.2     5.7
   18   3   3  -1  21.571  43.141  2.09515      487.9     22.0     21.7     5.7
   19   4   2  -1  21.822  43.643  2.07222      297.6     13.4     13.2     5.7
   20   4   0  -2  22.457  44.913  2.01652      241.2     10.9     10.7     5.7
   21   0   4   1  22.729  45.457  1.99364      103.9      4.7      4.6     5.7
   22   2   0   2  23.134  46.268  1.96059      177.4      8.0      7.9     5.7
   23   2   4  -1  23.75   47.5    1.91255      156.3      7.0      6.9     5.7
   24   5   1  -1  24.444  48.888  1.86147       91.9      4.1      4.1     5.7
   25   4   2  -2  24.906  49.811  1.82911       52.1      2.3      2.3     5.7
   26   3   3   1  25.282  50.564  1.80364      123.9      5.6      5.5     5.8
   27   2   4   1  26.11   52.221  1.75023       54.0      2.4      2.4     5.8
   28   4   2   1  26.647  53.293  1.71752       71.6      3.2      3.2     5.8
   29   1   5   0  26.823  53.647  1.70702      307.0     13.8     13.5     5.8
   30   3   1   2  27.54   55.081  1.66592      125.3      5.6      5.5     5.8
   31   0   4   2  27.968  55.935  1.64249      172.4      7.8      7.6     5.8
   32   2   2  -3  28.305  56.611  1.62448      369.7     16.7     16.2     5.8
   33   4   4  -1  28.826  57.652  1.59759       23.4      1.1      1.0     5.8
   34   5   3  -1  28.936  57.872  1.59203      385.7     17.4     16.9     5.8
   35   4   4   0  29.361  58.722  1.57101      192.8      8.7      8.4     5.8
   36   0   2   3  29.561  59.122  1.56133       34.5      1.6      1.5     5.8
   37   5   1   1  29.996  59.992  1.54075       35.6      1.6      1.6     5.8
   38   1   1   3  30.04   60.079  1.53872       29.8      1.3      1.3     5.8
   39   6   0  -2  30.512  61.023  1.51716      240.0     10.8     10.4     5.8
   40   3   5   0  30.72   61.439  1.50787      172.1      7.8      7.5     5.8
   41   4   2  -3  30.893  61.786  1.50024       52.9      2.4      2.3     5.8
   42   6   2  -1  31.033  62.066  1.49415       82.1      3.7      3.6     5.8
   43   1   3  -3  31.063  62.127  1.49284      302.2     13.6     13.1     5.8
   44   4   0   2  31.425  62.85   1.47737      166.3      7.5      7.2     5.9
   45   3   3  -3  31.715  63.43   1.46527       58.5      2.6      2.5     5.9
   46   5   1  -3  32.008  64.016  1.45327       45.5      2.0      2.0     5.9
   47   1   5  -2  32.081  64.162  1.45031       22.8      1.0      1.0     5.9
   48   0   6   0  32.132  64.265  1.44823      120.5      5.4      5.2     5.9
   49   4   2   2  33.415  66.831  1.39872       62.5      2.8      2.7     5.9
   50   3   5  -2  33.705  67.411  1.38809      280.0     12.6     12.1     5.9
   51   5   3   1  34.007  68.013  1.37725      354.0     16.0     15.2     5.9
   52   1   5   2  34.054  68.107  1.37557      101.5      4.6      4.4     5.9
   53   2   2   3  34.406  68.812  1.3632       236.9     10.7     10.2     5.9
   54   7   1  -2  35.853  71.707  1.31512      191.4      8.6      8.2     5.9
   55   5   3  -3  35.898  71.796  1.3137       106.5      4.8      4.6     5.9
   56   3   1  -4  36.555  73.11   1.29329      146.0      6.6      6.2     6.0
   57   7   1   0  36.813  73.626  1.28551       55.6      2.5      2.4     6.0
   58   6   2   1  36.883  73.766  1.28341      117.3      5.3      5.0     6.0
   59   4   0  -4  37.201  74.403  1.27399       45.9      2.1      2.0     6.0
   60   0   6   2  37.885  75.771  1.25436      279.0     12.6     11.8     6.0
   61   6   4  -2  38.263  76.526  1.24384       27.6      1.2      1.2     6.0
   62   4   4   2  39.089  78.179  1.22163       68.0      3.1      2.9     6.0
   63   3   5   2  39.371  78.742  1.21431      190.9      8.6      8.0     6.0
   64   1   7  -1  39.692  79.385  1.20608       66.4      3.0      2.8     6.0
   65   1   7   1  40.607  81.215  1.18346       75.6      3.4      3.2     6.1
   66   6   0  -4  41.896  83.793  1.15348       93.0      4.2      3.9     6.1
   67   8   2  -1  42.171  84.342  1.14736       46.8      2.1      1.9     6.1
   68   8   0   0  42.63   85.261  1.13734       34.4      1.6      1.4     6.1
   69   2   4  -4  43.18   86.36   1.12566       23.1      1.0      1.0     6.1
   70   4   4  -4  44.501  89.002  1.09895       26.9      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)