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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BERTRANDITE

2, t-bertrandite

Be(4)Si(2)O(7)(OH)(2)


Orthorhombic  C mc2(1)  Z = 4

Cmc2(1)

8 .12 .1988

Ref.Str.:

         Downs J.W., Ross F.K. (1987)

         * Amer. Mineral., 72, 979-983

                   Initial data from BDM-file 

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

             a =   8.7135   alpha =   90.0 
             b =  15.268    beta  =   90.0 
             c =   4.5683   gamma =   90.0 

    Unit cell volume (cub. angs.) =   607.76

    Molar volume ( cub.cm/mol.) =    91.52

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

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

   1 0.3251  0.1141  0.654    0.0    Si    = 1.00
   2 0.1726  0.0525  0.1562   0.0    Be    = 1.00
   3 0.3264  0.2202  0.1509   0.0    Be    = 1.00
   4 0.0     0.2006  0.4403   0.0    H     = 1.00
   5 0.5     0.3675  0.453    0.0    H     = 1.00
   6 0.2899  0.1243  0.0      0.0    O     = 1.00
   7 0.2095  0.043   0.5065   0.0    O     = 1.00
   8 0.2938  0.2091  0.5012   0.0    O     = 1.00
   9 0.5     0.0847  0.5916   0.0    O     = 1.00
  10 0.5     0.2553  0.0877   0.0    O     = 1.00
  11 0.0     0.0876  0.0978   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3251     0.1141     0.654 
     2       2     0.1726     0.0525     0.1562
     3       3     0.3264     0.2202     0.1509
     4       4     0.0        0.2006     0.4403
     5       5     0.5        0.3675     0.453 
     6       6     0.2899     0.1243     0.0   
     7       7     0.2095     0.043      0.5065
     8       8     0.2938     0.2091     0.5012
     9       9     0.5        0.0847     0.5916
    10      10     0.5        0.2553     0.0877
    11      11     0.0        0.0876     0.0978
    12       1     0.6749     0.8859     0.154 
    13       2     0.8274     0.9475     0.6562
    14       3     0.6736     0.7798     0.6509
    15       4     0.0        0.7994     0.9403
    16       5     0.5        0.6325     0.953 
    17       6     0.7101     0.8757     0.5   
    18       7     0.7905     0.957      0.0065
    19       8     0.7062     0.7909     0.0012
    20       9     0.5        0.9153     0.0916
    21      10     0.5        0.7447     0.5877
    22      11     0.0        0.9124     0.5978
    23       1     0.6749     0.1141     0.654 
    24       2     0.8274     0.0525     0.1562
    25       3     0.6736     0.2202     0.1509
    26       6     0.7101     0.1243     0.0   
    27       7     0.7905     0.043      0.5065
    28       8     0.7062     0.2091     0.5012
    29       1     0.3251     0.8859     0.154 
    30       2     0.1726     0.9475     0.6562
    31       3     0.3264     0.7798     0.6509
    32       6     0.2899     0.8757     0.5   
    33       7     0.2095     0.957      0.0065
    34       8     0.2938     0.7909     0.0012
    35       1     0.1749     0.3859     0.154 
    36       2     0.3274     0.4475     0.6562
    37       3     0.1736     0.2798     0.6509
    38       4     0.5        0.2994     0.9403
    39       5     0.0        0.1325     0.953 
    40       6     0.2101     0.3757     0.5   
    41       7     0.2905     0.457      0.0065
    42       8     0.2062     0.2909     0.0012
    43       9     0.0        0.4153     0.0916
    44      10     0.0        0.2447     0.5877
    45      11     0.5        0.4124     0.5978
    46       1     0.8251     0.6141     0.654 
    47       2     0.6726     0.5525     0.1562
    48       3     0.8264     0.7202     0.1509
    49       4     0.5        0.7006     0.4403
    50       5     0.0        0.8675     0.453 
    51       6     0.7899     0.6243     0.0   
    52       7     0.7095     0.543      0.5065
    53       8     0.7938     0.7091     0.5012
    54       9     0.0        0.5847     0.5916
    55      10     0.0        0.7553     0.0877
    56      11     0.5        0.5876     0.0978
    57       1     0.8251     0.3859     0.154 
    58       2     0.6726     0.4475     0.6562
    59       3     0.8264     0.2798     0.6509
    60       6     0.7899     0.3757     0.5   
    61       7     0.7095     0.457      0.0065
    62       8     0.7938     0.2909     0.0012
    63       1     0.1749     0.6141     0.654 
    64       2     0.3274     0.5525     0.1562
    65       3     0.1736     0.7202     0.1509
    66       6     0.2101     0.6243     0.0   
    67       7     0.2905     0.543      0.5065
    68       8     0.2062     0.7091     0.5012


X-ray density (g/cm cub.)   =      2.6 

MU (1/cm) =      55.882    Mass attenuation coefficient (cm**2/g) =     21.471

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

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

    1    Si                  2.1          4
                                                 1.6176       6
                                                 1.627        7
                                                 1.6326       8
                                                 1.6141       9
    2    Be                  2.04         4
                                                 1.6601       6
                                                 1.6387       7
                                                 1.6188      11
                                                 1.6421       7
    3    Be                  2.04         4
                                                 1.6497       6
                                                 1.6342       8
                                                 1.6304      10
                                                 1.6519       8
    4    H                   1.632        1
                                                 0.9523      10
    5    H                   1.632        1
                                                 0.9526      11
    6    O                   3.264        9
                                                 2.7176       7
                                                 2.6672       7
                                                 2.6306       8
                                                 2.621        8
                                                 2.6829       9
                                                 2.7409      10
                                                 2.6257      11
                                                 2.6488       7
                                                 2.6461       8
    7    O                   3.264        9
                                                 2.6672       6
                                                 2.7176       6
                                                 2.6404       8
                                                 2.6389       9
                                                 2.6985      11
                                                 2.7354      11
                                                 2.6488       6
                                                 2.6347       7
                                                 2.6347       7
    8    O                   3.264        9
                                                 2.621        6
                                                 2.6306       6
                                                 2.6404       7
                                                 2.6469       9
                                                 2.7008      10
                                                 2.6461       6
                                                 2.7129       8
                                                 2.7129       8
                                                 2.6468      10
    9    O                   3.264        6
                                                 2.6829       6
                                                 2.6389       7
                                                 2.6469       8
                                                 2.6829       6
                                                 2.6389       7
                                                 2.6469       8
   10    O                   3.264        6
                                                 2.7409       6
                                                 2.7008       8
                                                 2.7409       6
                                                 2.7008       8
                                                 2.6468       8
                                                 2.6468       8
   11    O                   3.264        6
                                                 2.6257       6
                                                 2.6985       7
                                                 2.7354       7
                                                 2.6257       6
                                                 2.6985       7
                                                 2.7354       7

  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  5.791  11.582   0.065  193.47    2        5.1        2.7
    2   1   1   0  5.842  11.684   0.066  190.08    4       22.3      102.0
    3   1   3   0 10.095  20.19    0.114   62.19    4       56.3      213.6
    4   2   0   0 10.184  20.367   0.115   61.07    2      138.3      632.2
    5   0   2   1 11.332  22.665   0.128   48.91    4       72.5      278.1
    6   1   1   1 11.359  22.718   0.128   48.67    8       23.1       56.2
    7   0   4   0 11.642  23.285   0.131   46.22    2       73.9      136.8
    8   2   2   0 11.746  23.491   0.132   45.38    4       10.7        5.6
    9   1   3   1 14.076  28.153   0.158   30.98    8      103.5      718.2
   10   0   4   1 15.247  30.493   0.171   26.12    4       16.4        7.6
   11   2   2   1 15.327  30.654   0.172   25.82    8       39.1       85.6
   12   1   5   0 15.503  31.007   0.174   25.2     4       30.1       24.7
   13   2   4   0 15.563  31.126   0.174   24.99    4       33.6       30.6
   14   3   1   0 15.662  31.324   0.175   24.65    4       52.0       72.2
   15   0   6   0 17.62   35.24    0.196   19.09    2      117.3      142.3
   16   3   3   0 17.779  35.559   0.198   18.72    4      135.0      369.5
   17   1   5   1 18.423  36.846   0.205   17.31    8       16.2        9.8
   18   2   4   1 18.474  36.949   0.206   17.21    8       14.2        7.5
   19   3   1   1 18.56   37.119   0.207   17.03    8       40.5       60.6
   20   0   0   2 19.708  39.416   0.219   14.92    2      200.5      324.8
   21   0   6   1 20.273  40.546   0.225   14.01    4      110.1      184.0
   22   3   3   1 20.415  40.829   0.226   13.79    8       77.9      181.3
   23   2   6   0 20.521  41.042   0.228   13.63    4       31.9       15.1
   24   0   2   2 20.61   41.219   0.228   13.5     4       12.8        2.4
   25   1   1   2 20.625  41.25    0.229   13.48    8       20.0       11.7
   26   4   0   0 20.708  41.416   0.23    13.36    2       94.6       64.8
   27   1   7   0 21.349  42.698   0.236   12.48    4       10.6        1.5
   28   3   5   0 21.47   42.94    0.238   12.32    4       47.4       29.9
   29   4   2   0 21.575  43.15    0.239   12.19    4        3.2        0.1
   30   1   3   2 22.337  44.675   0.247   11.27    8       25.1       15.4
   31   2   0   2 22.381  44.762   0.247   11.22    4       55.1       36.8
   32   2   6   1 22.892  45.784   0.253   10.66    8       76.2      134.1
   33   0   4   2 23.141  46.282   0.255   10.4     4       55.8       35.1
   34   2   2   2 23.198  46.396   0.256   10.35    8        5.5        0.7
   35   1   7   1 23.653  47.307   0.26     9.9     8       29.5       18.7
   36   3   5   1 23.765  47.529   0.262    9.8     8       22.9       11.1
   37   0   8   0 23.804  47.607   0.262    9.76    2       53.2       14.9
   38   4   2   1 23.862  47.724   0.263    9.71    8       17.4        6.4
   39   4   4   0 24.025  48.05    0.264    9.56    4       11.0        1.2
   40   1   5   2 25.487  50.975   0.279    8.35    8       23.4        9.9
   41   2   4   2 25.527  51.054   0.28     8.33    8       28.0       14.1
   42   3   1   2 25.593  51.186   0.28     8.28    8       39.5       28.0
   43   0   8   1 25.939  51.878   0.284    8.03    4       32.4        9.1
   44   2   8   0 26.144  52.288   0.286    7.88    4       24.2        5.0
   45   4   4   1 26.147  52.293   0.286    7.88    8        4.3        0.3
   46   3   7   0 26.209  52.418   0.287    7.84    4       13.0        1.4
   47   5   1   0 26.415  52.831   0.289    7.7     4       28.2        6.6
   48   0   6   2 26.947  53.893   0.294    7.36    4       83.2       55.1
   49   3   3   2 27.061  54.121   0.295    7.29    8       61.0       58.7
   50   1   9   0 27.554  55.108   0.3      7.0     4       53.4       21.6
   51   4   6   0 27.741  55.482   0.302    6.89    4       37.4       10.4
   52   5   3   0 27.853  55.705   0.303    6.83    4       96.9       69.5
   53   2   8   1 28.151  56.301   0.306    6.66    8       13.0        2.5
   54   3   7   1 28.212  56.424   0.307    6.63    8       46.6       31.2
   55   5   1   1 28.409  56.817   0.309    6.53    8       26.1        9.7
   56   2   6   2 29.106  58.212   0.316    6.18    8       32.2       13.9
   57   4   0   2 29.25   58.501   0.317    6.11    4       80.2       42.6
   58   1   9   1 29.495  58.991   0.32     6.0     8       52.2       35.4
   59   4   6   1 29.674  59.349   0.321    5.92    8       73.0       68.3
   60   1   7   2 29.752  59.503   0.322    5.88    8        9.7        1.2
   61   5   3   1 29.782  59.563   0.322    5.87    8       68.3       59.2
   62   3   5   2 29.847  59.693   0.323    5.84    8       48.2       29.4
   63   4   2   2 29.93   59.86    0.324    5.8     8        1.0        0.0
   64   0  10   0 30.299  60.597   0.327    5.65    2       37.5        4.3
   65   5   5   0 30.592  61.184   0.33     5.53    4       34.8        7.3
   66   0   2   3 31.051  62.103   0.335    5.35    4       51.5       15.3
   67   1   1   3 31.063  62.126   0.335    5.34    8       16.8        3.3
   68   3   9   0 31.724  63.448   0.341    5.1     4      141.1      110.0
   69   0   8   2 31.732  63.464   0.341    5.1     4       44.9       11.2
   70   4   4   2 31.915  63.83    0.343    5.04    8       14.5        2.3
   71   6   0   0 32.033  64.066   0.344    4.99    2      130.6       46.1
   72   0  10   1 32.136  64.273   0.345    4.96    4       41.9        9.4
   73   2  10   0 32.316  64.632   0.347    4.9     4       12.4        0.8
   74   1   3   3 32.368  64.735   0.348    4.88    8       73.8       57.6
   75   5   5   1 32.42   64.84    0.348    4.87    8       18.9        3.8
   76   4   8   0 32.452  64.904   0.348    4.86    4        8.9        0.4
   77   6   2   0 32.678  65.356   0.35     4.78    4        1.8        0.0
   78   0   4   3 32.998  65.996   0.354    4.69    4       13.3        0.9
   79   2   2   3 33.043  66.086   0.354    4.67    8       31.2        9.8
   80   3   9   1 33.518  67.037   0.358    4.53    8       33.7       11.2
   81   2   8   2 33.702  67.403   0.36     4.48    8       23.5        5.4
   82   3   7   2 33.757  67.514   0.361    4.47    8       13.8        1.8
   83   5   1   2 33.934  67.869   0.362    4.42    8       25.1        6.0
   84   2  10   1 34.094  68.188   0.364    4.37    8       19.9        3.8
   85   1  11   0 34.191  68.382   0.365    4.35    4        3.7        0.1
   86   4   8   1 34.226  68.452   0.365    4.34    8        6.8        0.4
   87   6   2   1 34.446  68.893   0.367    4.28    8       48.4       21.7
   88   5   7   0 34.455  68.91    0.367    4.28    4       12.4        0.7
   89   6   4   0 34.576  69.152   0.368    4.25    4       45.0        9.3
   90   1   5   3 34.898  69.797   0.371    4.17    8        9.2        0.8
   91   1   9   2 34.922  69.843   0.372    4.16    8       32.1        9.3
   92   2   4   3 34.931  69.862   0.372    4.16    8        9.4        0.8
   93   3   1   3 34.986  69.971   0.372    4.15    8       29.0        7.5
   94   4   6   2 35.085  70.17    0.373    4.12    8       32.9        9.7
   95   5   3   2 35.183  70.366   0.374    4.1     8       50.3       22.4
   96   1  11   1 35.924  71.847   0.381    3.94    8       26.2        5.8
   97   0   6   3 36.121  72.243   0.383    3.89    4      153.8       99.8
   98   5   7   1 36.182  72.364   0.383    3.88    8       36.7       11.3
   99   3   3   3 36.218  72.436   0.384    3.87    8      104.2       91.1
  100   6   4   1 36.3    72.601   0.384    3.86    8        9.6        0.8
  101   0  12   0 37.258  74.516   0.393    3.67    2       97.3       18.8
  102   0  10   2 37.361  74.722   0.394    3.65    4       31.8        4.0
  103   5   5   2 37.626  75.253   0.396    3.61    8       31.5        7.8
  104   6   6   0 37.64   75.281   0.396    3.6     4       68.9       18.5
  105   3  11   0 37.957  75.914   0.399    3.55    4        6.1        0.1
  106   2   6   3 37.984  75.968   0.399    3.55    8      107.4       88.6
  107   4  10   0 38.031  76.062   0.4      3.54    4        5.8        0.1
  108   7   1   0 38.379  76.758   0.403    3.48    4        3.9        0.1
  109   1   7   3 38.552  77.104   0.405    3.46    8       22.7        3.8
  110   3   5   3 38.636  77.272   0.405    3.44    8       22.1        3.6
  111   3   9   2 38.658  77.317   0.405    3.44    8       83.0       51.3
  112   4   2   3 38.71   77.419   0.406    3.43    8       13.5        1.4
  113   0  12   1 38.936  77.872   0.408    3.4     4       52.5       10.1
  114   6   0   2 38.942  77.884   0.408    3.4     4      107.4       42.4
  115   2  12   0 39.101  78.203   0.409    3.37    4      127.4       59.3
  116   2  10   2 39.203  78.406   0.41     3.36    8       13.3        1.3
  117   6   6   1 39.313  78.625   0.411    3.35    8       69.4       34.9
  118   5   9   0 39.321  78.642   0.411    3.34    4      101.7       37.5
  119   4   8   2 39.328  78.657   0.411    3.34    8       12.1        1.1
  120   6   2   2 39.537  79.074   0.413    3.31    8        8.9        0.6
  121   7   3   0 39.572  79.144   0.414    3.31    4       42.1        6.4
  122   3  11   1 39.625  79.25    0.414    3.3     8       44.9       14.4
  123   4  10   1 39.698  79.396   0.415    3.29    8        9.5        0.6
  124   7   1   1 40.042  80.084   0.418    3.25    8        5.9        0.2
  125   0   8   3 40.325  80.651   0.42     3.21    4       22.3        1.7
  126   4   4   3 40.491  80.983   0.421    3.2     8        5.7        0.2
  127   2  12   1 40.757  81.513   0.424    3.16    8       38.9       10.4
  128   1  11   2 40.948  81.896   0.425    3.14    8        3.3        0.1
  129   5   9   1 40.974  81.948   0.426    3.14    8       66.7       30.3
  130   5   7   2 41.196  82.393   0.428    3.12    8       11.6        0.9
  131   7   3   1 41.222  82.445   0.428    3.11    8       88.5       52.9
  132   6   4   2 41.31   82.62    0.429    3.11    8       43.7       12.9
  133   1  13   0 41.436  82.873   0.43     3.09    4       22.6        1.7
  134   6   8   0 41.798  83.595   0.433    3.06    4       38.1        4.8
  135   7   5   0 41.932  83.864   0.434    3.04    4        7.2        0.2
  136   2   8   3 42.132  84.265   0.435    3.03    8       15.0        1.5
  137   3   7   3 42.184  84.368   0.436    3.02    8       40.6       10.8
  138   5   1   3 42.349  84.697   0.437    3.01    8       21.9        3.1
  139   0   0   4 42.412  84.824   0.438    3.0     2       30.6        1.5
  140   0   2   4 42.997  85.994   0.443    2.95    4        6.2        0.1
  141   1   1   4 43.007  86.015   0.443    2.95    8       14.0        1.3
  142   1  13   1 43.073  86.146   0.443    2.95    8        6.5        0.3
  143   1   9   3 43.272  86.544   0.445    2.93    8       33.1        7.0
  144   4   6   3 43.426  86.852   0.446    2.92    8       13.8        1.2
  145   6   8   1 43.433  86.865   0.446    2.92    8       25.8        4.2
  146   5   3   3 43.518  87.037   0.447    2.92    8      102.7       66.6
  147   7   5   1 43.566  87.132   0.447    2.91    8        3.5        0.1
  148   0  12   2 43.868  87.735   0.45     2.89    4       40.9        5.2
  149   1   3   4 44.176  88.351   0.452    2.87    8       12.9        1.0
  150   2   0   4 44.206  88.413   0.453    2.87    4       64.8       13.1
  151   6   6   2 44.237  88.474   0.453    2.87    8       57.6       20.6
  152   4  12   0 44.516  89.032   0.455    2.85    4       14.5        0.7
  153   3  11   2 44.543  89.087   0.455    2.85    8        4.0        0.1
  154   4  10   2 44.615  89.23    0.456    2.85    8        5.1        0.2
  155   0   4   4 44.749  89.498   0.457    2.84    4       45.1        6.3
  156   2   2   4 44.79   89.58    0.457    2.84    8        1.1        0.0
  157   0  14   0 44.935  89.871   0.458    2.83    2       38.9        2.3
  158   7   1   2 44.953  89.907   0.459    2.83    8        5.6        0.2


  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   5.842  11.684  7.5678       102.0     14.2     14.4     5.6
    2   1   3   0  10.095  20.19   4.39464      213.6     29.7     29.9     5.6
    3   2   0   0  10.184  20.367  4.35675      632.2     88.0     88.5     5.6
    4   0   2   1  11.332  22.665  3.92002      334.3     46.5     46.7     5.6
    5   0   4   0  11.642  23.285  3.817        136.8     19.1     19.1     5.6
    6   1   3   1  14.076  28.153  3.16709      718.2    100.0    100.0     5.6
    7   0   4   1  15.247  30.493  2.92912        7.6      1.1      1.1     5.6
    8   2   2   1  15.327  30.654  2.91408       85.6     11.9     11.9     5.6
    9   1   5   0  15.503  31.007  2.88177       24.7      3.4      3.4     5.6
   10   2   4   0  15.563  31.126  2.871         30.6      4.3      4.2     5.6
   11   3   1   0  15.662  31.324  2.85333       72.2     10.1     10.0     5.6
   12   0   6   0  17.62   35.24   2.54467      142.3     19.8     19.7     5.7
   13   3   3   0  17.779  35.559  2.5226       369.5     51.5     51.1     5.7
   14   1   5   1  18.423  36.846  2.43734        9.8      1.4      1.4     5.7
   15   2   4   1  18.474  36.949  2.43082        7.5      1.0      1.0     5.7
   16   3   1   1  18.56   37.119  2.42006       60.6      8.4      8.4     5.7
   17   0   0   2  19.708  39.416  2.28415      324.8     45.2     44.8     5.7
   18   0   6   1  20.273  40.546  2.22305      184.0     25.6     25.3     5.7
   19   3   3   1  20.415  40.829  2.20829      181.3     25.2     25.0     5.7
   20   2   6   0  20.521  41.042  2.19732       15.1      2.1      2.1     5.7
   21   1   1   2  20.625  41.25   2.18672       14.1      2.0      1.9     5.7
   22   4   0   0  20.708  41.416  2.17838       64.8      9.0      8.9     5.7
   23   3   5   0  21.47   42.94   2.10453       29.9      4.2      4.1     5.7
   24   1   3   2  22.337  44.675  2.02674       15.4      2.1      2.1     5.7
   25   2   0   2  22.381  44.762  2.02298       36.8      5.1      5.0     5.7
   26   2   6   1  22.892  45.784  1.98017      134.1     18.7     18.4     5.7
   27   0   4   2  23.141  46.282  1.96001       35.1      4.9      4.8     5.7
   28   1   7   1  23.653  47.307  1.91993       18.7      2.6      2.6     5.7
   29   3   5   1  23.765  47.529  1.91145       11.1      1.5      1.5     5.7
   30   0   8   0  23.804  47.607  1.9085        14.9      2.1      2.0     5.7
   31   1   5   2  25.487  50.975  1.79005        9.9      1.4      1.3     5.8
   32   2   4   2  25.527  51.054  1.78746       14.1      2.0      1.9     5.8
   33   3   1   2  25.593  51.186  1.78317       28.0      3.9      3.8     5.8
   34   0   8   1  25.939  51.878  1.761          9.1      1.3      1.2     5.8
   35   0   6   2  26.947  53.893  1.6998        55.1      7.7      7.5     5.8
   36   3   3   2  27.061  54.121  1.69318       58.7      8.2      8.0     5.8
   37   1   9   0  27.554  55.108  1.66518       21.6      3.0      2.9     5.8
   38   4   6   0  27.741  55.482  1.65483       10.4      1.5      1.4     5.8
   39   5   3   0  27.853  55.705  1.64872       69.5      9.7      9.4     5.8
   40   3   7   1  28.212  56.424  1.6294        31.2      4.3      4.2     5.8
   41   5   1   1  28.409  56.817  1.61907        9.7      1.3      1.3     5.8
   42   2   6   2  29.106  58.212  1.58355       13.9      1.9      1.9     5.8
   43   4   0   2  29.25   58.501  1.57641       42.6      5.9      5.7     5.8
   44   1   9   1  29.495  58.991  1.56449       35.4      4.9      4.8     5.8
   45   4   6   1  29.674  59.349  1.5559        68.3      9.5      9.2     5.8
   46   5   3   1  29.782  59.563  1.55081       59.2      8.2      8.0     5.8
   47   3   5   2  29.847  59.693  1.54774       29.4      4.1      4.0     5.8
   48   5   5   0  30.592  61.184  1.51356        7.3      1.0      1.0     5.8
   49   0   2   3  31.051  62.103  1.49335       18.6      2.6      2.5     5.8
   50   3   9   0  31.724  63.448  1.46488      121.2     16.9     16.2     5.9
   51   6   0   0  32.033  64.066  1.45225       46.1      6.4      6.2     5.9
   52   0  10   1  32.136  64.273  1.44807        9.4      1.3      1.3     5.9
   53   1   3   3  32.368  64.735  1.43884       57.6      8.0      7.7     5.9
   54   2   2   3  33.043  66.086  1.41267        9.8      1.4      1.3     5.9
   55   3   9   1  33.518  67.037  1.39492       11.2      1.6      1.5     5.9
   56   6   2   1  34.446  68.893  1.3618        22.4      3.1      3.0     5.9
   57   6   4   0  34.576  69.152  1.35733        9.3      1.3      1.2     5.9
   58   1   9   2  34.922  69.843  1.34557       10.1      1.4      1.3     5.9
   59   3   1   3  34.986  69.971  1.34342        7.5      1.1      1.0     5.9
   60   4   6   2  35.085  70.17   1.3401         9.7      1.3      1.3     5.9
   61   5   3   2  35.183  70.366  1.33685       22.4      3.1      3.0     5.9
   62   0   6   3  36.121  72.243  1.30667       99.8     13.9     13.1     5.9
   63   5   7   1  36.182  72.364  1.30478       11.3      1.6      1.5     5.9
   64   3   3   3  36.218  72.436  1.30366       91.1     12.7     12.0     5.9
   65   0  12   0  37.258  74.516  1.27233       18.8      2.6      2.5     6.0
   66   6   6   0  37.64   75.281  1.2613        26.3      3.7      3.4     6.0
   67   2   6   3  37.984  75.968  1.25159       88.6     12.3     11.6     6.0
   68   3   9   2  38.658  77.317  1.23308       55.0      7.7      7.2     6.0
   69   6   0   2  38.942  77.884  1.22552       52.6      7.3      6.8     6.0
   70   2  12   0  39.101  78.203  1.22132       59.3      8.3      7.7     6.0
   71   5   9   0  39.321  78.642  1.21559       73.5     10.2      9.5     6.0
   72   3  11   1  39.625  79.25   1.20779       14.4      2.0      1.9     6.0
   73   2  12   1  40.757  81.513  1.17988       10.4      1.4      1.3     6.1
   74   5   9   1  40.974  81.948  1.17471       30.3      4.2      3.9     6.1
   75   7   3   1  41.222  82.445  1.16889       52.9      7.4      6.8     6.1
   76   6   4   2  41.31   82.62   1.16685       12.9      1.8      1.7     6.1
   77   3   7   3  42.184  84.368  1.14708       10.8      1.5      1.4     6.1
   78   5   3   3  43.518  87.037  1.11864       66.6      9.3      8.5     6.1
   79   6   6   2  44.237  88.474  1.10415       34.7      4.8      4.4     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)