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       ***
                  ***********************
FORSTERITE

63, t-olivine, analogue

Na(2)BeF(4)


Orthorhombic  P bnm  Z = 4

R =0.06          NR =370

26 .11 .1997

Ref.Str.:

         Weber F. (1968)

         * Neues Jb. Miner., Mh., H.11, 404-413

Reserv:

         In original - olivine[52].    N.A.D.

                   Initial data from BDM-file 

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

             a =   4.89     alpha =   90.0 
             b =  10.9      beta  =   90.0 
             c =   6.56     gamma =   90.0 

    Unit cell volume (cub. angs.) =   349.65

    Molar volume ( cub.cm/mol.) =    52.65

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

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

   1 0.0     0.0     0.0      0.0    Na    = 1.00
   2 0.0119  0.2801  0.75     0.0    Na    = 1.00
   3 0.0729  0.4042  0.25     0.0    Be    = 1.00
   4 0.2595  0.0933  0.75     0.0    F     = 1.00
   5 0.3039  0.0365  0.25     0.0    F     = 1.00
   6 0.1944  0.3387  0.4405   0.0    F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.0119     0.2801     0.75  
     3       3     0.0729     0.4042     0.25  
     4       4     0.2595     0.0933     0.75  
     5       5     0.3039     0.0365     0.25  
     6       6     0.1944     0.3387     0.4405
     7       2     0.9881     0.7199     0.25  
     8       3     0.9271     0.5958     0.75  
     9       4     0.7405     0.9067     0.25  
    10       5     0.6961     0.9635     0.75  
    11       6     0.8056     0.6613     0.5595
    12       1     0.0        0.0        0.5   
    13       6     0.8056     0.6613     0.9405
    14       6     0.1944     0.3387     0.0595
    15       1     0.5        0.5        0.0   
    16       2     0.4881     0.7801     0.75  
    17       3     0.4271     0.9042     0.25  
    18       4     0.2405     0.5933     0.75  
    19       5     0.1961     0.5365     0.25  
    20       6     0.3056     0.8387     0.4405
    21       2     0.5119     0.2199     0.25  
    22       3     0.5729     0.0958     0.75  
    23       4     0.7595     0.4067     0.25  
    24       5     0.8039     0.4635     0.75  
    25       6     0.6944     0.1613     0.5595
    26       1     0.5        0.5        0.5   
    27       6     0.6944     0.1613     0.9405
    28       6     0.3056     0.8387     0.0595


X-ray density (g/cm cub.)   =      2.49

MU (1/cm) =      50.206    Mass attenuation coefficient (cm**2/g) =     20.184

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

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

    1    Na                  2.772        6
                                                 2.3096       4
                                                 2.2486       5
                                                 2.3096       4
                                                 2.2486       5
                                                 2.3402       6
                                                 2.3402       6
    2    Na                  2.772        6
                                                 2.3689       4
                                                 2.3079       6
                                                 2.3079       6
                                                 2.2429       5
                                                 2.3768       6
                                                 2.3768       6
    3    Be                  2.004        4
                                                 1.5571       6
                                                 1.5571       6
                                                 1.5629       5
                                                 1.5328       4
    4    F                   3.192        6
                                                 2.5612       5
                                                 3.0971       5
                                                 2.5756       6
                                                 3.122        6
                                                 2.5756       6
                                                 3.122        6
    5    F                   3.192        6
                                                 2.5612       4
                                                 3.0971       4
                                                 2.492        6
                                                 3.1015       6
                                                 3.1015       6
                                                 2.492        6
    6    F                   3.192        5
                                                 2.4994       6
                                                 2.492        5
                                                 3.122        4
                                                 2.5756       4
                                                 3.1015       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   0   2   0  8.125  16.25    0.092   97.18    2       21.1       70.7
    2   1   1   0  9.942  19.884   0.112   64.18    4        1.2        0.3
    3   0   2   1 10.588  21.176   0.119   56.33    4       33.2      202.6
    4   1   0   1 11.331  22.661   0.128   48.92    4       22.1       78.5
    5   1   1   1 12.052  24.103   0.136   43.0     8       26.0      190.1
    6   1   2   0 12.218  24.436   0.137   41.78    4       16.3       36.2
    7   0   0   2 13.582  27.165   0.152   33.42    2       26.0       36.9
    8   1   2   1 14.006  28.012   0.157   31.31    8        8.7       15.6
    9   1   3   0 15.315  30.629   0.171   25.87    4       69.0      403.3
   10   0   2   2 15.908  31.816   0.178   23.84    4        9.2        6.6
   11   0   4   0 16.42   32.839   0.183   22.26    2       16.5        9.9
   12   1   3   1 16.801  33.601   0.188   21.18    8       33.0      150.9
   13   1   1   2 16.946  33.893   0.189   20.78    8       50.3      343.7
   14   0   4   1 17.824  35.647   0.199   18.62    4       11.0        7.4
   15   2   0   0 18.363  36.727   0.204   17.44    2       16.7        8.0
   16   1   2   2 18.429  36.858   0.205   17.3     8       64.6      472.9
   17   2   1   0 18.837  37.673   0.21    16.49    4       31.9       54.8
   18   1   4   0 18.881  37.761   0.21    16.4     4       77.3      320.4
   19   2   1   1 20.094  40.188   0.223   14.29    8       23.6       51.8
   20   1   4   1 20.136  40.271   0.223   14.22    8       17.4       28.2
   21   2   2   0 20.2    40.399   0.224   14.12    4        6.1        1.7
   22   1   3   2 20.697  41.394   0.229   13.37    8       32.1       89.9
   23   2   2   1 21.39   42.78    0.237   12.42    8       33.7       92.4
   24   0   4   2 21.561  43.123   0.239   12.2     4        5.5        1.2
   25   0   2   3 22.306  44.613   0.246   11.3     4       31.9       37.7
   26   2   3   0 22.317  44.634   0.246   11.29    4        7.5        2.1
   27   1   0   3 22.698  45.396   0.25    10.87    4       40.4       58.2
   28   1   5   0 22.759  45.519   0.251   10.8     4        5.0        0.9
   29   1   1   3 23.097  46.195   0.255   10.45    8       39.7      107.7
   30   2   0   2 23.138  46.275   0.255   10.41    4       11.1        4.2
   31   2   3   1 23.42   46.841   0.258   10.13    8        2.0        0.3
   32   2   1   2 23.531  47.062   0.259   10.02    8       15.6       15.9
   33   1   4   2 23.568  47.136   0.26     9.98    8        8.0        4.2
   34   1   5   1 23.847  47.693   0.262    9.72    8       28.8       52.9
   35   1   2   3 24.264  48.529   0.267    9.34    8       30.4       56.6
   36   2   2   2 24.682  49.365   0.271    8.99    8       90.9      485.6
   37   2   4   0 25.041  50.082   0.275    8.7     4       73.2      152.6
   38   0   6   0 25.088  50.176   0.275    8.66    2       37.8       20.2
   39   2   4   1 26.056  52.112   0.285    7.95    8       30.0       46.8
   40   0   6   1 26.102  52.203   0.286    7.91    4       61.3       97.4
   41   1   3   3 26.122  52.244   0.286    7.9     8       25.8       34.3
   42   2   3   2 26.518  53.037   0.29     7.63    8       11.2        6.3
   43   0   4   3 26.85   53.7     0.293    7.42    4       52.3       66.4
   44   1   6   0 26.893  53.786   0.294    7.39    4       19.0        8.8
   45   1   5   2 26.908  53.816   0.294    7.38    8       43.4       90.9
   46   1   6   1 27.86   55.72    0.303    6.82    8       34.4       53.0
   47   0   0   4 28.014  56.027   0.305    6.74    2      105.8      123.5
   48   2   5   0 28.255  56.51    0.307    6.61    4       33.1       23.7
   49   3   1   0 28.543  57.086   0.31     6.46    4       59.1       73.7
   50   2   1   3 28.545  57.089   0.31     6.46    8        1.6        0.1
   51   1   4   3 28.577  57.153   0.31     6.44    8       42.2       75.0
   52   2   4   2 28.95   57.901   0.314    6.25    8       19.9       16.1
   53   0   6   2 28.993  57.985   0.315    6.23    4       87.4      155.7
   54   3   0   1 29.139  58.279   0.316    6.16    4        2.3        0.1
   55   2   5   1 29.192  58.384   0.317    6.14    8        2.0        0.2
   56   0   2   4 29.373  58.745   0.318    6.05    4       28.0       15.5
   57   3   1   1 29.474  58.949   0.319    6.01    8       33.6       44.5
   58   3   2   0 29.554  59.108   0.32     5.97    4       13.0        3.3
   59   2   2   3 29.556  59.112   0.32     5.97    8        6.9        1.8
   60   1   1   4 30.027  60.054   0.325    5.76    8        9.1        3.1
   61   3   2   1 30.466  60.933   0.329    5.58    8        9.1        3.0
   62   1   6   2 30.641  61.281   0.331    5.51    8        4.8        0.8
   63   1   2   4 31.008  62.016   0.334    5.36    8       19.0       12.7
   64   3   3   0 31.194  62.388   0.336    5.29    4       19.6        6.6
   65   2   3   3 31.196  62.392   0.336    5.29    8       31.5       34.3
   66   1   7   0 31.275  62.55    0.337    5.26    4       45.9       36.3
   67   1   5   3 31.548  63.096   0.34     5.16    8        9.0        2.7
   68   2   6   0 31.886  63.773   0.343    5.05    4        1.8        0.1
   69   2   5   2 31.9    63.801   0.343    5.04    8        8.1        2.2
   70   3   3   1 32.079  64.157   0.345    4.98    8       27.6       24.8
   71   1   7   1 32.159  64.317   0.345    4.95    8        2.5        0.2
   72   3   1   2 32.169  64.337   0.346    4.95    8       25.7       21.3
   73   1   3   4 32.605  65.211   0.35     4.81    8       36.6       42.1
   74   2   6   1 32.761  65.521   0.351    4.76    8        2.4        0.2
   75   3   2   2 33.114  66.227   0.355    4.65    8       39.3       47.0
   76   0   4   4 33.242  66.485   0.356    4.61    4       35.0       18.5
   77   3   4   0 33.412  66.824   0.357    4.56    4       33.5       16.8
   78   2   4   3 33.413  66.827   0.357    4.56    8        1.1        0.0
   79   0   6   3 33.452  66.905   0.358    4.55    4       42.4       26.7
   80   3   4   1 34.266  68.532   0.365    4.33    8       21.8       13.5
   81   0   8   0 34.426  68.852   0.367    4.29    2       13.0        1.2
   82   2   0   4 34.441  68.882   0.367    4.28    4       20.2        5.7
   83   3   3   2 34.659  69.318   0.369    4.23    8       20.4       11.6
   84   1   7   2 34.736  69.472   0.37     4.21    8        8.4        2.0
   85   2   1   4 34.747  69.494   0.37     4.21    8        4.2        0.5
   86   1   4   4 34.776  69.552   0.37     4.2     8       25.7       18.1
   87   1   6   3 34.981  69.963   0.372    4.15    8       10.8        3.2
   88   0   8   1 35.268  70.537   0.375    4.08    4        3.2        0.1
   89   2   6   2 35.316  70.632   0.375    4.07    8        6.3        1.0
   90   2   2   4 35.658  71.317   0.378    3.99    8       13.6        4.8
   91   2   7   0 35.907  71.815   0.381    3.94    4        1.4        0.0
   92   1   8   0 35.936  71.872   0.381    3.93    4       26.4        9.0
   93   3   0   3 36.115  72.23    0.383    3.9     4       22.8        6.6
   94   3   5   0 36.161  72.322   0.383    3.89    4       18.6        4.4
   95   2   5   3 36.162  72.325   0.383    3.89    8        8.2        1.7
   96   3   1   3 36.415  72.83    0.385    3.83    8        1.2        0.0
   97   2   7   1 36.735  73.47    0.388    3.77    8        6.9        1.2
   98   1   8   1 36.763  73.526   0.389    3.76    8        6.1        0.9
   99   3   4   2 36.773  73.545   0.389    3.76    8        9.1        2.1
  100   3   5   1 36.986  73.973   0.391    3.72    8        8.0        1.6
  101   0   2   5 37.148  74.296   0.392    3.69    4       31.8       12.2
  102   2   3   4 37.156  74.312   0.392    3.69    8        6.1        0.9
  103   3   2   3 37.309  74.619   0.393    3.66    8        0.7        0.0
  104   1   0   5 37.436  74.871   0.395    3.64    4       28.1        9.4
  105   1   5   4 37.481  74.961   0.395    3.63    8        8.3        1.6
  106   1   1   5 37.732  75.463   0.397    3.59    8       11.1        2.9
  107   0   8   2 37.747  75.494   0.397    3.59    4       19.3        4.4
  108   1   2   5 38.615  77.23    0.405    3.45    8        2.5        0.1
  109   3   3   3 38.784  77.567   0.407    3.42    8       27.2       16.5
  110   1   7   3 38.857  77.714   0.407    3.41    8       11.8        3.1
  111   4   0   0 39.056  78.113   0.409    3.38    2       64.3       22.9
  112   2   7   2 39.179  78.358   0.41     3.36    8       23.1       11.7
  113   1   8   2 39.207  78.413   0.41     3.36    8       22.9       11.5
  114   2   4   4 39.217  78.435   0.41     3.36    8       39.2       33.8
  115   0   6   4 39.254  78.508   0.411    3.35    4        1.5        0.0
  116   4   1   0 39.349  78.697   0.412    3.34    4       10.0        1.1
  117   3   6   0 39.413  78.825   0.412    3.33    4        7.0        0.5
  118   2   6   3 39.414  78.828   0.412    3.33    8        8.6        1.6
  119   3   5   2 39.425  78.851   0.412    3.33    8       41.8       38.1
  120   1   3   5 40.074  80.148   0.418    3.25    8       22.1       10.3
  121   4   1   1 40.152  80.304   0.419    3.24    8       13.0        3.6
  122   3   6   1 40.216  80.432   0.419    3.23    8       23.2       11.4
  123   4   2   0 40.221  80.443   0.419    3.23    4        7.9        0.7
  124   2   8   0 40.331  80.661   0.42     3.21    4       31.8       10.7
  125   0   4   5 40.663  81.326   0.423    3.18    4        4.3        0.2
  126   1   6   4 40.698  81.396   0.423    3.17    8        8.2        1.4
  127   3   4   3 40.82   81.641   0.424    3.16    8       30.1       18.7
  128   1   9   0 40.937  81.874   0.425    3.14    4        7.9        0.6
  129   4   2   1 41.021  82.041   0.426    3.14    8        4.2        0.4
  130   2   8   1 41.13   82.259   0.427    3.12    8       34.3       24.1
  131   4   3   0 41.667  83.333   0.432    3.07    4        9.6        0.9
  132   1   9   1 41.733  83.467   0.432    3.06    8        5.1        0.5
  133   0   8   3 41.767  83.535   0.432    3.06    4       37.2       13.8
  134   2   5   4 41.825  83.65    0.433    3.05    8        7.2        1.0
  135   3   1   4 42.068  84.136   0.435    3.03    8       30.5       18.4
  136   2   1   5 42.069  84.138   0.435    3.03    8       19.4        7.5
  137   1   4   5 42.096  84.193   0.435    3.03    8        0.7        0.0
  138   4   0   2 42.255  84.509   0.436    3.02    4       10.5        1.1
  139   4   3   1 42.461  84.922   0.438    3.0     8        0.8        0.0
  140   4   1   2 42.542  85.084   0.439    2.99    8       30.9       18.7
  141   3   6   2 42.605  85.21    0.439    2.99    8        1.6        0.1
  142   3   2   4 42.93   85.859   0.442    2.96    8       21.7        9.1
  143   2   2   5 42.931  85.862   0.442    2.96    8       29.9       17.3
  144   3   7   0 43.166  86.333   0.444    2.94    4       54.3       28.4
  145   2   7   3 43.168  86.336   0.444    2.94    8        9.5        1.7
  146   1   8   3 43.195  86.39    0.444    2.94    8        2.9        0.2
  147   4   2   2 43.403  86.805   0.446    2.92    8       29.3       16.5
  148   3   5   3 43.409  86.819   0.446    2.92    8       21.2        8.6
  149   2   8   2 43.511  87.021   0.447    2.92    8       19.3        7.1
  150   4   4   0 43.677  87.353   0.448    2.91    4       24.8        5.9
  151   3   7   1 43.957  87.915   0.451    2.89    8       10.9        2.3
  152   1   9   2 44.11   88.221   0.452    2.88    8       47.6       42.6
  153   3   3   4 44.362  88.724   0.454    2.86    8       36.9       25.5
  154   2   3   5 44.363  88.727   0.454    2.86    8        9.0        1.5
  155   1   7   4 44.434  88.868   0.454    2.86    8       41.4       32.1
  156   4   4   1 44.467  88.934   0.455    2.86    8       17.6        5.8
  157   1   5   5 44.676  89.353   0.456    2.85    8       22.7        9.6
  158   0   0   6 44.791  89.582   0.457    2.84    2       48.4       10.9
  159   4   3   2 44.834  89.668   0.458    2.84    8       13.6        3.4
  160   0  10   0 44.965  89.931   0.459    2.83    2       14.7        1.0
  161   2   6   4 44.979  89.958   0.459    2.83    8       16.9        5.3


  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   0   2   0   8.125  16.25   5.45          70.7     14.6     15.0     5.6
    2   0   2   1  10.588  21.176  4.19204      202.6     41.7     42.8     5.6
    3   1   0   1  11.331  22.661  3.92059       78.5     16.2     16.6     5.6
    4   1   1   1  12.052  24.103  3.6892       190.1     39.1     40.1     5.6
    5   1   2   0  12.218  24.436  3.63968       36.2      7.5      7.6     5.6
    6   0   0   2  13.582  27.165  3.28          36.9      7.6      7.8     5.6
    7   1   2   1  14.006  28.012  3.18264       15.6      3.2      3.3     5.6
    8   1   3   0  15.315  30.629  2.91642      403.3     83.0     84.6     5.6
    9   0   2   2  15.908  31.816  2.8103         6.6      1.4      1.4     5.6
   10   0   4   0  16.42   32.839  2.725          9.9      2.0      2.1     5.6
   11   1   3   1  16.801  33.601  2.66493      150.9     31.1     31.6     5.7
   12   1   1   2  16.946  33.893  2.6427       343.7     70.8     71.9     5.7
   13   0   4   1  17.824  35.647  2.51652        7.4      1.5      1.5     5.7
   14   2   0   0  18.363  36.727  2.445          8.0      1.6      1.7     5.7
   15   1   2   2  18.429  36.858  2.43658      472.9     97.4     98.7     5.7
   16   2   1   0  18.837  37.673  2.38572       54.8     11.3     11.4     5.7
   17   1   4   0  18.881  37.761  2.38035      320.4     66.0     66.8     5.7
   18   2   1   1  20.094  40.188  2.24205       51.8     10.7     10.8     5.7
   19   1   4   1  20.136  40.271  2.2376        28.2      5.8      5.9     5.7
   20   1   3   2  20.697  41.394  2.17947       89.9     18.5     18.7     5.7
   21   2   2   1  21.39   42.78   2.11202       92.4     19.0     19.2     5.7
   22   0   2   3  22.306  44.613  2.02941       39.7      8.2      8.2     5.7
   23   1   0   3  22.698  45.396  1.99618       58.2     12.0     12.0     5.7
   24   1   1   3  23.097  46.195  1.96352      107.7     22.2     22.3     5.7
   25   2   1   2  23.531  47.062  1.92934       15.9      3.3      3.3     5.7
   26   1   5   1  23.847  47.693  1.90527       52.9     10.9     10.9     5.7
   27   1   2   3  24.264  48.529  1.8744        56.6     11.7     11.7     5.7
   28   2   2   2  24.682  49.365  1.8446       485.6    100.0    100.0     5.7
   29   2   4   0  25.041  50.082  1.81984      152.6     31.4     31.4     5.7
   30   0   6   0  25.088  50.176  1.81667       20.2      4.2      4.2     5.7
   31   2   4   1  26.056  52.112  1.75361       46.8      9.6      9.6     5.8
   32   0   6   1  26.102  52.203  1.75077      131.8     27.1     27.0     5.8
   33   2   3   2  26.518  53.037  1.72521        6.3      1.3      1.3     5.8
   34   0   4   3  26.85   53.7    1.70546       66.4     13.7     13.6     5.8
   35   1   5   2  26.908  53.816  1.70204       99.7     20.5     20.4     5.8
   36   1   6   1  27.86   55.72   1.64831       53.0     10.9     10.8     5.8
   37   0   0   4  28.014  56.027  1.64         123.5     25.4     25.2     5.8
   38   2   5   0  28.255  56.51   1.62715       23.7      4.9      4.8     5.8
   39   3   1   0  28.543  57.086  1.61207       73.8     15.2     15.0     5.8
   40   1   4   3  28.577  57.153  1.61033       75.0     15.5     15.3     5.8
   41   2   4   2  28.95   57.901  1.59132       16.1      3.3      3.3     5.8
   42   0   6   2  28.993  57.985  1.58919      155.7     32.1     31.7     5.8
   43   0   2   4  29.373  58.745  1.57044       15.5      3.2      3.2     5.8
   44   3   1   1  29.474  58.949  1.5655        44.5      9.2      9.0     5.8
   45   3   2   0  29.554  59.108  1.56165        5.1      1.1      1.0     5.8
   46   1   2   4  31.008  62.016  1.49522       12.7      2.6      2.6     5.8
   47   2   3   3  31.196  62.392  1.48713       41.0      8.4      8.3     5.8
   48   1   7   0  31.275  62.55   1.48373       36.3      7.5      7.4     5.8
   49   3   3   1  32.079  64.157  1.45039       24.8      5.1      5.0     5.9
   50   3   1   2  32.169  64.337  1.44678       21.3      4.4      4.3     5.9
   51   1   3   4  32.605  65.211  1.42949       42.1      8.7      8.5     5.9
   52   3   2   2  33.114  66.227  1.40999       47.0      9.7      9.5     5.9
   53   0   4   4  33.242  66.485  1.40515       18.5      3.8      3.7     5.9
   54   3   4   0  33.412  66.824  1.39884       16.8      3.5      3.4     5.9
   55   0   6   3  33.452  66.905  1.39735       26.7      5.5      5.4     5.9
   56   3   4   1  34.266  68.532  1.36809       13.5      2.8      2.7     5.9
   57   2   0   4  34.441  68.882  1.36199        6.9      1.4      1.4     5.9
   58   3   3   2  34.659  69.318  1.35447       11.6      2.4      2.3     5.9
   59   1   4   4  34.776  69.552  1.3505        18.1      3.7      3.6     5.9
   60   1   8   0  35.936  71.872  1.3125         9.0      1.8      1.8     5.9
   61   3   0   3  36.115  72.23   1.30686        6.6      1.4      1.3     5.9
   62   3   5   0  36.161  72.322  1.30544        6.1      1.3      1.2     5.9
   63   0   2   5  37.148  74.296  1.27556       13.1      2.7      2.6     6.0
   64   1   0   5  37.436  74.871  1.26718        9.4      1.9      1.9     6.0
   65   0   8   2  37.747  75.494  1.25826        7.3      1.5      1.4     6.0
   66   3   3   3  38.784  77.567  1.22973       16.5      3.4      3.3     6.0
   67   4   0   0  39.056  78.113  1.2225        22.9      4.7      4.5     6.0
   68   2   7   2  39.179  78.358  1.21928       23.2      4.8      4.6     6.0
   69   2   4   4  39.217  78.435  1.21829       33.8      7.0      6.6     6.0
   70   3   5   2  39.425  78.851  1.2129        39.7      8.2      7.8     6.0
   71   1   3   5  40.074  80.148  1.1965        10.3      2.1      2.0     6.0
   72   3   6   1  40.216  80.432  1.193         12.0      2.5      2.4     6.0
   73   2   8   0  40.331  80.661  1.19018       10.7      2.2      2.1     6.1
   74   3   4   3  40.82   81.641  1.17836       18.7      3.9      3.7     6.1
   75   2   8   1  41.13   82.259  1.17106       24.1      5.0      4.7     6.1
   76   0   8   3  41.767  83.535  1.15639       13.8      2.8      2.7     6.1
   77   3   1   4  42.068  84.136  1.14965       26.0      5.3      5.0     6.1
   78   4   1   2  42.542  85.084  1.13925       18.7      3.8      3.6     6.1
   79   2   2   5  42.931  85.862  1.13091       26.4      5.4      5.1     6.1
   80   3   7   0  43.166  86.333  1.12594       30.3      6.2      5.8     6.1
   81   4   2   2  43.403  86.805  1.12103       25.0      5.2      4.8     6.1
   82   2   8   2  43.511  87.021  1.1188         7.1      1.5      1.4     6.1
   83   4   4   0  43.677  87.353  1.1154         5.9      1.2      1.1     6.2
   84   1   9   2  44.11   88.221  1.10666       42.6      8.8      8.2     6.2
   85   3   3   4  44.362  88.724  1.10168       27.0      5.6      5.2     6.2
   86   1   7   4  44.434  88.868  1.10027       32.1      6.6      6.1     6.2
   87   4   4   1  44.467  88.934  1.09962        5.8      1.2      1.1     6.2
   88   1   5   5  44.676  89.353  1.09555        9.6      2.0      1.8     6.2
   89   0   0   6  44.791  89.582  1.09333       10.9      2.2      2.1     6.2
   90   2   6   4  44.979  89.958  1.08974        5.3      1.1      1.0     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)