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       ***
                  ***********************
MONTICELLITE

11, t-monticellite, at 335'C, f-monticellite

Ca(Mg,Fe)SiO(4)


Orthorhombic  P bnm  Z = 4

Pbnm

22 .3 .17

Ref.Str.:

         Lager G.A., Meagher E.P. (1978)

         * Amer. Mineral., 63, 365-377

         L: $Ca1 Mg0.93 Fe0.07 Si1 O$

         R: Locality - Crestmore, California, USA.   N.A.D.

                   Initial data from BDM-file 

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

             a =   4.834    alpha =   90.0 
             b =  11.147    beta  =   90.0 
             c =   6.409    gamma =   90.0 

    Unit cell volume (cub. angs.) =   345.35

    Molar volume ( cub.cm/mol.) =    52.0 

  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    Mg    = 0.93, Fe    = 0.07
   2 0.9764  0.2774  0.25     0.0    Ca    = 1.00
   3 0.4091  0.0817  0.25     0.0    Si    = 1.00
   4 0.7434  0.0776  0.25     0.0    O     = 1.00
   5 0.2476  0.4501  0.25     0.0    O     = 1.00
   6 0.2738  0.1473  0.0472   0.0    O     = 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     0.9764     0.2774     0.25  
     3       3     0.4091     0.0817     0.25  
     4       4     0.7434     0.0776     0.25  
     5       5     0.2476     0.4501     0.25  
     6       6     0.2738     0.1473     0.0472
     7       2     0.0236     0.7226     0.75  
     8       3     0.5909     0.9183     0.75  
     9       4     0.2566     0.9224     0.75  
    10       5     0.7524     0.5499     0.75  
    11       6     0.7262     0.8527     0.9528
    12       1     0.0        0.0        0.5   
    13       6     0.7262     0.8527     0.5472
    14       6     0.2738     0.1473     0.4528
    15       1     0.5        0.5        0.0   
    16       2     0.5236     0.7774     0.25  
    17       3     0.0909     0.5817     0.25  
    18       4     0.7566     0.5776     0.25  
    19       5     0.2524     0.9501     0.25  
    20       6     0.2262     0.6473     0.0472
    21       2     0.4764     0.2226     0.75  
    22       3     0.9091     0.4183     0.75  
    23       4     0.2434     0.4224     0.75  
    24       5     0.7476     0.0499     0.75  
    25       6     0.7738     0.3527     0.9528
    26       1     0.5        0.5        0.5   
    27       6     0.7738     0.3527     0.5472
    28       6     0.2262     0.6473     0.4528


X-ray density (g/cm cub.)   =      3.05

MU (1/cm) =     211.642    Mass attenuation coefficient (cm**2/g) =     69.371

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

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

    1   Mg   ,Fe             2.592        6
                                                 2.2032       4
                                                 2.1306       6
                                                 2.2032       4
                                                 2.1306       6
                                                 2.0893       5
                                                 2.0893       5
    2    Ca                  2.88         6
                                                 2.4958       4
                                                 2.3291       5
                                                 2.4206       6
                                                 2.4206       6
                                                 2.3004       6
                                                 2.3004       6
    3    Si                  2.1          4
                                                 1.6167       4
                                                 1.6284       6
                                                 1.6284       6
                                                 1.651        5
    4    O                   3.264       10
                                                 2.9777       6
                                                 2.7288       6
                                                 3.1496       6
                                                 3.1496       6
                                                 2.9777       6
                                                 2.7288       6
                                                 2.8415       5
                                                 2.7665       5
                                                 3.2194       5
                                                 3.2194       5
    5    O                   3.264        8
                                                 2.8415       4
                                                 2.7665       4
                                                 2.5558       6
                                                 3.2194       4
                                                 3.2194       4
                                                 3.1706       6
                                                 3.1706       6
                                                 2.5558       6
    6    O                   3.264        6
                                                 2.7288       4
                                                 2.9777       4
                                                 3.1496       4
                                                 2.5995       6
                                                 2.5558       5
                                                 3.1706       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  7.944  15.888   0.09   101.76    2       29.4      147.7
    2   1   1   0 10.002  20.004   0.113   63.38    4        8.7       16.1
    3   0   2   1 10.554  21.107   0.119   56.71    4       40.1      305.3
    4   1   0   1 11.513  23.026   0.13    47.32    4       31.0      152.3
    5   1   2   0 12.177  24.354   0.137   42.08    4       37.4      197.7
    6   1   1   1 12.193  24.387   0.137   41.96    8       43.2      526.3
    7   0   0   2 13.909  27.817   0.156   31.78    2       74.7      297.2
    8   1   2   1 14.05   28.1     0.158   31.1     8       23.3      112.8
    9   1   3   0 15.157  30.315   0.17    26.45    4       76.2      514.4
   10   0   4   0 16.046  32.092   0.179   23.39    2       25.4       25.3
   11   0   2   2 16.098  32.195   0.18    23.23    4       31.7       78.1
   12   1   3   1 16.725  33.449   0.187   21.39    8       87.5     1098.0
   13   1   1   2 17.251  34.502   0.192   19.99    8       76.3      779.9
   14   0   4   1 17.542  35.084   0.196   19.27    4       65.5      277.4
   15   2   0   0 18.584  37.168   0.207   16.98    2       23.0       15.0
   16   1   4   0 18.605  37.211   0.207   16.94    4       51.7      152.0
   17   1   2   2 18.651  37.302   0.208   16.85    8       45.3      231.9
   18   2   1   0 19.032  38.064   0.212   16.11    4       43.2      100.8
   19   1   4   1 19.934  39.868   0.221   14.54    8       11.9       13.9
   20   2   2   0 20.326  40.653   0.225   13.92    4       22.9       24.5
   21   2   1   1 20.337  40.674   0.226   13.91    8       28.5       75.9
   22   1   3   2 20.804  41.608   0.231   13.22    8       15.6       21.6
   23   0   4   2 21.488  42.976   0.238   12.3     4       15.9       10.4
   24   2   2   1 21.566  43.132   0.239   12.2     8       20.0       32.8
   25   2   3   0 22.345  44.69    0.247   11.26    4       21.7       17.8
   26   1   5   0 22.364  44.727   0.247   11.24    4       22.4       19.0
   27   0   2   3 22.715  45.429   0.251   10.85    4       11.1        4.5
   28   1   0   3 23.216  46.433   0.256   10.33    4       17.5       10.7
   29   2   3   1 23.499  46.998   0.259   10.05    8        5.7        2.2
   30   1   5   1 23.517  47.033   0.259   10.03    8       18.8       23.7
   31   2   0   2 23.527  47.054   0.259   10.02    4       22.3       16.7
   32   1   4   2 23.545  47.09    0.259   10.0     8        6.7        3.0
   33   1   1   3 23.592  47.183   0.26     9.96    8       39.4      103.7
   34   2   1   2 23.898  47.797   0.263    9.67    8       22.8       33.7
   35   0   6   0 24.495  48.99    0.269    9.15    2       23.4        8.4
   36   1   2   3 24.691  49.382   0.271    8.98    8       29.3       51.6
   37   2   4   0 24.952  49.904   0.274    8.77    4       95.3      267.0
   38   2   2   2 24.988  49.976   0.274    8.74    8      105.0      646.3
   39   0   6   1 25.574  51.149   0.28     8.29    4       61.0      103.4
   40   2   4   1 26.018  52.035   0.285    7.97    8       48.7      126.7
   41   1   6   0 26.371  52.742   0.288    7.73    4       35.3       32.3
   42   1   3   3 26.448  52.897   0.289    7.68    8       70.6      256.8
   43   2   3   2 26.731  53.462   0.292    7.5     8       13.9        9.8
   44   1   5   2 26.747  53.494   0.292    7.49    8       45.7      104.7
   45   0   4   3 27.021  54.042   0.295    7.31    4       74.9      137.7
   46   1   6   1 27.397  54.794   0.299    7.09    8        3.6        0.6
   47   2   5   0 28.037  56.074   0.305    6.73    4       14.9        5.0
   48   0   6   2 28.637  57.273   0.311    6.41    4      130.1      363.9
   49   0   0   4 28.734  57.469   0.312    6.36    2      156.7      261.8
   50   1   4   3 28.78   57.561   0.313    6.34    8       17.8       13.5
   51   3   1   0 28.882  57.764   0.314    6.29    4       39.6       33.0
   52   2   5   1 29.023  58.047   0.315    6.22    8       35.1       51.3
   53   2   4   2 29.048  58.095   0.315    6.21    8       23.9       23.8
   54   2   1   3 29.088  58.176   0.316    6.19    8       19.0       15.0
   55   3   0   1 29.532  59.065   0.32     5.98    4        4.4        0.4
   56   3   2   0 29.842  59.685   0.323    5.84    4       29.6       17.2
   57   3   1   1 29.85   59.701   0.323    5.84    8       47.2       87.4
   58   0   2   4 30.015  60.029   0.325    5.77    4       22.8       10.1
   59   2   2   3 30.044  60.089   0.325    5.75    8       15.0        8.7
   60   1   6   2 30.335  60.669   0.328    5.63    8        5.8        1.3
   61   1   7   0 30.616  61.232   0.331    5.52    4       94.2      164.4
   62   1   1   4 30.741  61.482   0.332    5.47    8        2.4        0.2
   63   3   2   1 30.792  61.584   0.332    5.45    8       33.5       41.0
   64   3   3   0 31.403  62.806   0.338    5.22    4       39.5       27.3
   65   2   6   0 31.53   63.06    0.339    5.17    4        6.9        0.8
   66   1   7   1 31.552  63.104   0.34     5.16    8        3.9        0.5
   67   2   3   3 31.599  63.198   0.34     5.15    8       13.7        6.5
   68   1   5   3 31.614  63.227   0.34     5.14    8       10.6        3.9
   69   1   2   4 31.667  63.335   0.341    5.12    8        6.9        1.6
   70   2   5   2 31.866  63.733   0.343    5.05    8       30.2       31.0
   71   3   3   1 32.326  64.652   0.347    4.9     8       27.6       25.1
   72   2   6   1 32.451  64.902   0.348    4.86    8       19.6       12.5
   73   3   1   2 32.651  65.301   0.35     4.79    8       36.8       43.5
   74   1   3   4 33.179  66.358   0.355    4.63    8       51.4       82.1
   75   0   6   3 33.33   66.66    0.357    4.59    4       31.2       15.0
   76   3   4   0 33.518  67.036   0.358    4.53    4       54.8       45.7
   77   3   2   2 33.548  67.095   0.359    4.52    8       72.2      158.1
   78   0   8   0 33.56   67.121   0.359    4.52    2       10.8        0.9
   79   0   4   4 33.679  67.359   0.36     4.49    4       38.6       22.5
   80   2   4   3 33.707  67.415   0.36     4.48    8       27.3       22.3
   81   1   7   2 34.275  68.549   0.366    4.33    8       37.9       41.6
   82   3   4   1 34.411  68.822   0.367    4.29    8       31.6       28.8
   83   0   8   1 34.453  68.906   0.367    4.28    4        6.0        0.5
   84   1   6   3 34.897  69.794   0.371    4.17    8       19.8       11.0
   85   3   3   2 35.017  70.035   0.372    4.14    8        0.4        0.0
   86   1   8   0 35.122  70.245   0.373    4.12    4        4.9        0.3
   87   2   6   2 35.138  70.275   0.374    4.11    8       29.7       24.3
   88   2   0   4 35.225  70.45    0.374    4.09    4       46.0       29.0
   89   1   4   4 35.239  70.478   0.375    4.09    8       19.1       10.0
   90   2   7   0 35.399  70.797   0.376    4.05    4       15.1        3.1
   91   2   1   4 35.515  71.03    0.377    4.03    8       27.5       20.4
   92   1   8   1 35.997  71.994   0.382    3.92    8        8.4        1.9
   93   3   5   0 36.145  72.29    0.383    3.89    4        6.0        0.5
   94   2   7   1 36.271  72.541   0.384    3.86    8       10.7        3.0
   95   2   5   3 36.328  72.656   0.385    3.85    8       31.1       25.0
   96   2   2   4 36.378  72.757   0.385    3.84    8       17.4        7.8
   97   3   0   3 36.782  73.564   0.389    3.76    4       30.0       11.3
   98   3   5   1 37.01   74.019   0.391    3.72    8       23.6       13.9
   99   3   4   2 37.031  74.062   0.391    3.71    8       28.8       20.7
  100   3   1   3 37.067  74.133   0.391    3.71    8       32.2       25.8
  101   0   8   2 37.072  74.143   0.391    3.71    4       65.3       53.1
  102   2   3   4 37.8    75.601   0.398    3.58    8       16.6        6.6
  103   1   5   4 37.814  75.628   0.398    3.58    8       18.8        8.5
  104   3   2   3 37.917  75.833   0.399    3.56    8       23.8       13.5
  105   0   2   5 38.07   76.14    0.4      3.53    4       38.3       17.4
  106   1   0   5 38.441  76.881   0.404    3.47    4       34.0       13.5
  107   1   8   2 38.574  77.147   0.405    3.45    8       35.6       29.4
  108   1   7   3 38.609  77.218   0.405    3.45    8        2.4        0.1
  109   1   1   5 38.721  77.443   0.406    3.43    8       23.5       12.7
  110   2   7   2 38.841  77.681   0.407    3.41    8       17.1        6.7
  111   3   6   0 39.256  78.513   0.411    3.35    4       44.5       22.3
  112   3   3   3 39.319  78.639   0.411    3.34    8       28.6       18.4
  113   0   6   4 39.408  78.816   0.412    3.33    4       31.5       11.1
  114   2   6   3 39.434  78.869   0.412    3.33    8       34.6       26.7
  115   1   2   5 39.56   79.119   0.413    3.31    8       10.2        2.3
  116   3   5   2 39.563  79.126   0.413    3.31    8       57.4       73.1
  117   4   0   0 39.597  79.194   0.414    3.31    2       82.8       38.0
  118   2   8   0 39.65   79.3     0.414    3.3     4       35.0       13.6
  119   2   4   4 39.762  79.524   0.415    3.29    8       57.6       73.1
  120   4   1   0 39.875  79.751   0.416    3.27    4       23.0        5.8
  121   1   9   0 39.942  79.883   0.417    3.26    4        8.1        0.7
  122   3   6   1 40.098  80.197   0.418    3.24    8       32.5       23.0
  123   2   8   1 40.49   80.981   0.421    3.2     8       35.4       26.9
  124   4   2   0 40.707  81.415   0.423    3.17    4        3.6        0.1
  125   4   1   1 40.714  81.429   0.423    3.17    8       14.1        4.2
  126   1   9   1 40.78   81.561   0.424    3.16    8       24.7       12.9
  127   1   6   4 40.884  81.769   0.425    3.15    8       13.1        3.6
  128   1   3   5 40.947  81.893   0.425    3.14    8       59.0       73.4
  129   3   4   3 41.261  82.522   0.428    3.11    8       47.1       46.3
  130   0   8   3 41.3    82.601   0.428    3.11    4       16.3        2.8
  131   0   4   5 41.411  82.822   0.429    3.1     4       37.6       14.7
  132   4   2   1 41.543  83.085   0.43     3.08    8       19.0        7.4
  133   4   3   0 42.086  84.173   0.435    3.03    4        1.0        0.0
  134   2   5   4 42.249  84.498   0.436    3.02    8       17.9        6.5
  135   3   6   2 42.602  85.205   0.439    2.99    8       17.5        6.1
  136   1   8   3 42.763  85.527   0.441    2.97    8       18.0        6.5
  137   3   7   0 42.849  85.699   0.441    2.97    4       61.0       37.0
  138   1   4   5 42.873  85.747   0.442    2.96    8       22.2        9.8
  139   4   3   1 42.917  85.834   0.442    2.96    8       14.2        4.0
  140   4   0   2 42.938  85.876   0.442    2.96    4        5.7        0.3
  141   3   1   4 42.959  85.919   0.442    2.96    8       26.6       14.0
  142   2   8   2 42.99   85.98    0.443    2.95    8        0.6        0.0
  143   2   7   3 43.025  86.049   0.443    2.95    8       17.1        5.8
  144   2   1   5 43.135  86.269   0.444    2.94    8       23.8       11.2
  145   4   1   2 43.212  86.424   0.444    2.94    8       40.2       31.9
  146   1   9   2 43.277  86.555   0.445    2.93    8       60.7       72.5
  147   3   7   1 43.679  87.357   0.448    2.91    8       14.0        3.8
  148   0  10   0 43.711  87.422   0.449    2.9     2       11.6        0.7
  149   3   5   3 43.734  87.467   0.449    2.9     8       31.7       19.5
  150   3   2   4 43.782  87.563   0.449    2.9     8       37.2       27.0
  151   2   2   5 43.956  87.913   0.451    2.89    8       24.2       11.3
  152   4   4   0 44.006  88.013   0.451    2.88    4       41.3       16.5
  153   4   2   2 44.034  88.068   0.451    2.88    8       44.4       38.2
  154   2   9   0 44.332  88.665   0.454    2.86    4       18.7        3.3
  155   1   7   4 44.455  88.91    0.455    2.86    8       78.9      119.4
  156   0  10   1 44.539  89.078   0.455    2.85    4       71.2       48.6
  157   4   4   1 44.834  89.668   0.458    2.84    8        0.3        0.0


  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   7.944  15.888  5.5735       147.7     13.5     13.6     5.6
    2   1   1   0  10.002  20.004  4.43494       16.1      1.5      1.5     5.6
    3   0   2   1  10.554  21.107  4.20565      305.3     27.8     28.1     5.6
    4   1   0   1  11.513  23.026  3.85931      152.3     13.9     14.0     5.6
    5   1   1   1  12.193  24.387  3.64692      724.0     65.9     66.4     5.6
    6   0   0   2  13.909  27.817  3.2045       297.2     27.1     27.2     5.6
    7   1   2   1  14.05   28.1    3.1729       112.8     10.3     10.3     5.6
    8   1   3   0  15.157  30.315  2.94595      514.4     46.9     47.0     5.6
    9   0   4   0  16.046  32.092  2.78675       25.3      2.3      2.3     5.6
   10   0   2   2  16.098  32.195  2.77806       78.1      7.1      7.1     5.6
   11   1   3   1  16.725  33.449  2.67671     1098.0    100.0    100.0     5.7
   12   1   1   2  17.251  34.502  2.59741      779.9     71.0     71.0     5.7
   13   0   4   1  17.542  35.084  2.55561      277.4     25.3     25.2     5.7
   14   1   4   0  18.605  37.211  2.4143       167.0     15.2     15.2     5.7
   15   1   2   2  18.651  37.302  2.40864      231.9     21.1     21.0     5.7
   16   2   1   0  19.032  38.064  2.36211      100.8      9.2      9.1     5.7
   17   1   4   1  19.934  39.868  2.25931       13.9      1.3      1.3     5.7
   18   2   1   1  20.337  40.674  2.21637      100.4      9.1      9.1     5.7
   19   1   3   2  20.804  41.608  2.16875       21.6      2.0      1.9     5.7
   20   2   2   1  21.566  43.132  2.09558       32.8      3.0      3.0     5.7
   21   1   5   0  22.364  44.727  2.02447       36.8      3.4      3.3     5.7
   22   2   0   2  23.527  47.054  1.92965       45.7      4.2      4.1     5.7
   23   1   1   3  23.592  47.183  1.92467      103.7      9.4      9.3     5.7
   24   2   1   2  23.898  47.797  1.90138       33.7      3.1      3.0     5.7
   25   1   2   3  24.691  49.382  1.84398       51.6      4.7      4.6     5.7
   26   2   4   0  24.952  49.904  1.82591      267.0     24.3     23.9     5.7
   27   2   2   2  24.988  49.976  1.82346      646.3     58.9     57.9     5.7
   28   0   6   1  25.574  51.149  1.78438      103.4      9.4      9.2     5.8
   29   2   4   1  26.018  52.035  1.75604      126.7     11.5     11.3     5.8
   30   1   6   0  26.371  52.742  1.73417       32.3      2.9      2.9     5.8
   31   1   3   3  26.448  52.897  1.72945      256.8     23.4     22.9     5.8
   32   1   5   2  26.747  53.494  1.71153      114.5     10.4     10.2     5.8
   33   0   4   3  27.021  54.042  1.69546      137.7     12.5     12.3     5.8
   34   0   6   2  28.637  57.273  1.60725      363.9     33.1     32.3     5.8
   35   0   0   4  28.734  57.469  1.60225      261.8     23.8     23.2     5.8
   36   1   4   3  28.78   57.561  1.59991       13.5      1.2      1.2     5.8
   37   3   1   0  28.882  57.764  1.59476       33.0      3.0      2.9     5.8
   38   2   5   1  29.023  58.047  1.58766       75.2      6.8      6.7     5.8
   39   2   1   3  29.088  58.176  1.58444       15.0      1.4      1.3     5.8
   40   3   1   1  29.85   59.701  1.54757      104.7      9.5      9.2     5.8
   41   1   7   0  30.616  61.232  1.51248      164.4     15.0     14.5     5.8
   42   3   2   1  30.792  61.584  1.50468       41.0      3.7      3.6     5.8
   43   3   3   0  31.403  62.806  1.47831       27.3      2.5      2.4     5.9
   44   2   5   2  31.866  63.733  1.45903       31.0      2.8      2.7     5.9
   45   3   3   1  32.326  64.652  1.44049       25.1      2.3      2.2     5.9
   46   2   6   1  32.451  64.902  1.43555       12.5      1.1      1.1     5.9
   47   3   1   2  32.651  65.301  1.42773       43.5      4.0      3.8     5.9
   48   1   3   4  33.179  66.358  1.40754       82.1      7.5      7.2     5.9
   49   0   6   3  33.33   66.66   1.40188       15.0      1.4      1.3     5.9
   50   3   4   0  33.518  67.036  1.39493       45.7      4.2      4.0     5.9
   51   3   2   2  33.548  67.095  1.39384      159.0     14.5     13.9     5.9
   52   0   4   4  33.679  67.359  1.38903       44.8      4.1      3.9     5.9
   53   1   7   2  34.275  68.549  1.36778       41.6      3.8      3.6     5.9
   54   3   4   1  34.411  68.822  1.36302       28.8      2.6      2.5     5.9
   55   1   6   3  34.897  69.794  1.34641       11.0      1.0      1.0     5.9
   56   2   6   2  35.138  70.275  1.33836       24.3      2.2      2.1     5.9
   57   2   0   4  35.225  70.45   1.33546       39.0      3.5      3.4     5.9
   58   2   1   4  35.515  71.03   1.32598       20.4      1.9      1.8     5.9
   59   2   5   3  36.328  72.656  1.30025       25.0      2.3      2.2     6.0
   60   3   0   3  36.782  73.564  1.28644       11.3      1.0      1.0     6.0
   61   3   4   2  37.031  74.062  1.27901       34.7      3.2      3.0     6.0
   62   0   8   2  37.072  74.143  1.27781       78.9      7.2      6.8     6.0
   63   1   5   4  37.814  75.628  1.25638       15.1      1.4      1.3     6.0
   64   3   2   3  37.917  75.833  1.25348       13.5      1.2      1.2     6.0
   65   0   2   5  38.07   76.14   1.24919       17.4      1.6      1.5     6.0
   66   1   0   5  38.441  76.881  1.23898       13.5      1.2      1.2     6.0
   67   1   8   2  38.574  77.147  1.23537       29.4      2.7      2.5     6.0
   68   1   1   5  38.721  77.443  1.2314        12.7      1.2      1.1     6.0
   69   3   6   0  39.256  78.513  1.21727       22.3      2.0      1.9     6.0
   70   3   3   3  39.319  78.639  1.21564       18.4      1.7      1.6     6.0
   71   2   6   3  39.434  78.869  1.21267       37.8      3.4      3.2     6.0
   72   3   5   2  39.563  79.126  1.20937       75.4      6.9      6.4     6.0
   73   4   0   0  39.597  79.194  1.2085        38.0      3.5      3.2     6.0
   74   2   8   0  39.65   79.3    1.20715       13.6      1.2      1.2     6.0
   75   2   4   4  39.762  79.524  1.20432       73.1      6.7      6.2     6.0
   76   3   6   1  40.098  80.197  1.19589       23.0      2.1      2.0     6.0
   77   2   8   1  40.49   80.981  1.18629       26.9      2.5      2.3     6.1
   78   1   9   1  40.78   81.561  1.17931       12.9      1.2      1.1     6.1
   79   1   3   5  40.947  81.893  1.17536       73.4      6.7      6.2     6.1
   80   3   4   3  41.261  82.522  1.16799       46.3      4.2      3.9     6.1
   81   0   4   5  41.411  82.822  1.16452       14.7      1.3      1.2     6.1
   82   3   7   0  42.849  85.699  1.13264       46.8      4.3      3.9     6.1
   83   3   1   4  42.959  85.919  1.1303        14.0      1.3      1.2     6.1
   84   2   1   5  43.135  86.269  1.12661       11.2      1.0      0.9     6.1
   85   4   1   2  43.212  86.424  1.12499       31.9      2.9      2.7     6.1
   86   1   9   2  43.277  86.555  1.12362       72.5      6.6      6.1     6.1
   87   3   5   3  43.734  87.467  1.11424       19.5      1.8      1.6     6.2
   88   3   2   4  43.782  87.563  1.11326       27.0      2.5      2.3     6.2
   89   2   2   5  43.956  87.913  1.10974       11.3      1.0      0.9     6.2
   90   4   2   2  44.034  88.068  1.10818       54.7      5.0      4.6     6.2
   91   1   7   4  44.455  88.91   1.09985      119.4     10.9      9.9     6.2
   92   0  10   1  44.539  89.078  1.09821       48.6      4.4      4.0     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)