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       ***
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FORSTERITE

68, t-olivine, at 104'C, f-olivine, s-forsterite

(Mg,Fe)(2)SiO(4)


Orthorhombic  P bnm  Z = 4

Pbnm

16 .4 .1907

Ref.Str.:

         Heinemann R., Kroll H., Kirfel A., Barbier B. (2006)

         * Eur. J. Mineral., 18, 673-689

Reserv:

         Boseti volcano, Ethiopia.

         Structure data for all spacimens from 20'C up to 900'C

         see in the original.   N.A.D.

                   Initial data from BDM-file 

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

             a =   4.7961   alpha =   90.0 
             b =  10.3557   beta  =   90.0 
             c =   6.0479   gamma =   90.0 

    Unit cell volume (cub. angs.) =   300.38

    Molar volume ( cub.cm/mol.) =    45.23

  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    Fe    = 0.51, Mg    = 0.49
   2 0.9872  0.2789  0.25     0.0    Fe    = 0.42, Mg    = 0.58
   3 0.4284  0.0958  0.25     0.0    Si    = 1.00
   4 0.766   0.0922  0.25     0.0    O     = 1.00
   5 0.2153  0.4506  0.25     0.0    O     = 1.00
   6 0.2832  0.1641  0.0353   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     0.9872     0.2789     0.25  
     3       3     0.4284     0.0958     0.25  
     4       4     0.766      0.0922     0.25  
     5       5     0.2153     0.4506     0.25  
     6       6     0.2832     0.1641     0.0353
     7       2     0.0128     0.7211     0.75  
     8       3     0.5716     0.9042     0.75  
     9       4     0.234      0.9078     0.75  
    10       5     0.7847     0.5494     0.75  
    11       6     0.7168     0.8359     0.9647
    12       1     0.0        0.0        0.5   
    13       6     0.7168     0.8359     0.5353
    14       6     0.2832     0.1641     0.4647
    15       1     0.5        0.5        0.0   
    16       2     0.5128     0.7789     0.25  
    17       3     0.0716     0.5958     0.25  
    18       4     0.734      0.5922     0.25  
    19       5     0.2847     0.9506     0.25  
    20       6     0.2168     0.6641     0.0353
    21       2     0.4872     0.2211     0.75  
    22       3     0.9284     0.4042     0.75  
    23       4     0.266      0.4078     0.75  
    24       5     0.7153     0.0494     0.75  
    25       6     0.7832     0.3359     0.9647
    26       1     0.5        0.5        0.5   
    27       6     0.7832     0.3359     0.5353
    28       6     0.2168     0.6641     0.4647


X-ray density (g/cm cub.)   =      3.76

MU (1/cm) =     431.529    Mass attenuation coefficient (cm**2/g) =    114.707

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

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

    1   Fe   ,Mg             2.592        6
                                                 2.1112       4
                                                 2.1859       6
                                                 2.1112       4
                                                 2.1859       6
                                                 2.1005       5
                                                 2.1005       5
    2   Fe   ,Mg             2.592        6
                                                 2.2049       4
                                                 2.0881       5
                                                 2.2615       6
                                                 2.2615       6
                                                 2.0696       6
                                                 2.0696       6
    3    Si                  2.1          4
                                                 1.6194       4
                                                 1.6345       6
                                                 1.6345       6
                                                 1.654        5
    4    O                   3.264       12
                                                 2.8972       6
                                                 2.7572       6
                                                 3.1745       6
                                                 3.1745       6
                                                 2.8972       6
                                                 2.7572       6
                                                 2.8877       5
                                                 2.7347       5
                                                 3.0659       5
                                                 3.0659       5
                                                 3.0583       6
                                                 3.0583       6
    5    O                   3.264       10
                                                 3.2549       6
                                                 3.2549       6
                                                 2.8877       4
                                                 2.7347       4
                                                 2.5641       6
                                                 3.0659       4
                                                 3.0659       4
                                                 2.9467       6
                                                 2.9467       6
                                                 2.5641       6
    6    O                   3.264       10
                                                 2.7572       4
                                                 2.8972       4
                                                 3.2549       5
                                                 3.1745       4
                                                 2.597        6
                                                 2.5641       5
                                                 3.0583       4
                                                 2.9467       5
                                                 3.0163       6
                                                 3.0163       6

  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  8.555  17.111   0.097   87.43    2       34.3      228.3
    2   1   1   0 10.195  20.389   0.115   60.93    4        9.3       23.5
    3   0   2   1 11.294  22.587   0.127   49.26    4       42.1      387.7
    4   1   0   1 11.828  23.656   0.133   44.72    4       26.4      137.9
    5   1   1   1 12.595  25.19    0.142   39.2     8       35.3      432.3
    6   1   2   0 12.645  25.291   0.142   38.87    4       26.4      120.3
    7   1   2   1 14.671  29.342   0.164   28.36    8       15.7       62.1
    8   0   0   2 14.757  29.515   0.165   28.01    2       43.6      117.9
    9   1   3   0 15.958  31.916   0.178   23.67    4      101.7     1084.4
   10   0   2   2 17.157  34.313   0.191   20.23    4       44.4      176.5
   11   0   4   0 17.309  34.618   0.193   19.85    2       32.9       47.6
   12   1   3   1 17.638  35.276   0.197   19.05    8       74.0      924.4
   13   1   1   2 18.07   36.14    0.201   18.06    8       93.4     1396.2
   14   2   0   0 18.736  37.472   0.209   16.68    2       48.8       87.9
   15   0   4   1 18.883  37.767   0.21    16.4     4       47.7      165.4
   16   2   1   0 19.251  38.502   0.214   15.71    4       40.0      111.3
   17   1   2   2 19.626  39.251   0.218   15.05    8       48.2      310.1
   18   1   4   0 19.762  39.523   0.219   14.83    4       61.7      250.6
   19   2   1   1 20.699  41.398   0.229   13.37    8       36.6      158.8
   20   2   2   0 20.731  41.463   0.23    13.32    4       10.2        6.1
   21   1   4   1 21.18   42.36    0.235   12.7     8        0.3        0.0
   22   1   3   2 22.012  44.024   0.243   11.65    8       29.5       90.2
   23   2   2   1 22.099  44.197   0.244   11.55    8       10.0       10.3
   24   2   3   0 23.024  46.048   0.254   10.52    4       19.1       16.9
   25   0   4   2 23.059  46.117   0.254   10.49    4       29.8       41.4
   26   1   5   0 23.898  47.796   0.263    9.67    4       40.1       68.8
   27   2   0   2 24.202  48.404   0.266    9.4     4       14.1        8.2
   28   0   2   3 24.207  48.413   0.266    9.39    4        2.7        0.3
   29   2   3   1 24.288  48.577   0.267    9.32    8        1.8        0.3
   30   1   0   3 24.486  48.972   0.269    9.15    4       10.8        4.7
   31   2   1   2 24.623  49.246   0.27     9.04    8       11.3       10.2
   32   1   1   3 24.904  49.807   0.273    8.81    8       33.6       88.0
   33   1   4   2 25.045  50.089   0.275    8.69    8        4.5        1.5
   34   1   5   1 25.129  50.258   0.276    8.63    8       29.9       68.6
   35   2   2   2 25.856  51.712   0.283    8.09    8      116.1      966.9
   36   2   4   0 25.966  51.932   0.284    8.01    4       90.1      288.2
   37   1   2   3 26.127  52.254   0.286    7.9     8       25.5       45.7
   38   0   6   0 26.506  53.012   0.29     7.64    2        9.3        1.5
   39   2   4   1 27.128  54.257   0.296    7.25    8       51.3      168.9
   40   0   6   1 27.653  55.305   0.301    6.94    4       76.2      178.8
   41   2   3   2 27.824  55.647   0.303    6.84    8       16.8       17.2
   42   1   3   3 28.081  56.163   0.306    6.7     8       62.1      229.4
   43   1   6   0 28.315  56.629   0.308    6.58    4       16.4        7.8
   44   1   5   2 28.59   57.18    0.311    6.43    8       49.2      137.9
   45   0   4   3 28.965  57.929   0.314    6.25    4       63.7      112.4
   46   3   1   0 29.178  58.356   0.316    6.15    4       46.7       59.5
   47   1   6   1 29.414  58.828   0.319    6.03    8        5.7        1.7
   48   2   5   0 29.434  58.868   0.319    6.03    4        9.6        2.5
   49   3   0   1 29.892  59.784   0.323    5.82    4       19.0        9.3
   50   3   1   1 30.257  60.515   0.327    5.66    8       34.0       58.1
   51   3   2   0 30.282  60.564   0.327    5.65    4       32.0       25.7
   52   2   1   3 30.31   60.62    0.328    5.64    8       24.7       30.5
   53   2   4   2 30.434  60.868   0.329    5.59    8       37.0       67.8
   54   2   5   1 30.508  61.016   0.33     5.56    8       32.3       51.4
   55   0   0   4 30.627  61.255   0.331    5.51    2      167.6      343.4
   56   1   4   3 30.678  61.355   0.331    5.49    8       11.9        6.9
   57   0   6   2 30.922  61.844   0.334    5.4     4      137.4      452.0
   58   3   2   1 31.339  62.677   0.338    5.24    8       19.1       17.0
   59   2   2   3 31.39   62.781   0.338    5.22    8       13.6        8.5
   60   0   2   4 32.055  64.109   0.345    4.99    4       25.7       14.6
   61   3   3   0 32.072  64.144   0.345    4.98    4       54.2       64.9
   62   1   6   2 32.574  65.147   0.349    4.82    8        9.6        3.9
   63   1   1   4 32.638  65.275   0.35     4.8     8        8.2        2.9
   64   1   7   0 33.017  66.033   0.354    4.68    4       91.3      173.1
   65   3   3   1 33.096  66.192   0.354    4.66    8       50.5      105.4
   66   2   3   3 33.146  66.292   0.355    4.64    8        7.6        2.4
   67   2   6   0 33.358  66.716   0.357    4.58    4        2.3        0.1
   68   3   1   2 33.371  66.742   0.357    4.57    8       57.7      135.0
   69   2   5   2 33.609  67.217   0.359    4.51    8       11.1        4.9
   70   1   2   4 33.676  67.352   0.36     4.49    8        8.5        2.9
   71   1   5   3 33.84   67.679   0.361    4.44    8       20.5       16.5
   72   1   7   1 34.026  68.052   0.363    4.39    8       13.5        7.1
   73   2   6   1 34.362  68.725   0.366    4.3     8       26.2       26.1
   74   3   2   2 34.399  68.797   0.367    4.29    8       67.1      171.2
   75   3   4   0 34.491  68.982   0.368    4.27    4       51.8       50.8
   76   1   3   4 35.374  70.747   0.376    4.06    8       68.2      167.3
   77   3   4   1 35.48   70.961   0.377    4.03    8       38.4       52.6
   78   2   4   3 35.529  71.058   0.377    4.02    8       27.2       26.5
   79   0   6   3 35.981  71.961   0.381    3.92    4       62.3       67.5
   80   3   3   2 36.08   72.161   0.382    3.9     8        0.7        0.0
   81   0   4   4 36.155  72.31    0.383    3.89    4       31.9       17.5
   82   0   8   0 36.517  73.034   0.386    3.81    2       26.5        5.9
   83   1   7   2 36.976  73.952   0.39     3.72    8       12.4        5.1
   84   2   0   4 37.032  74.064   0.391    3.71    4       56.5       52.5
   85   2   6   2 37.301  74.602   0.393    3.66    8       37.5       45.6
   86   2   1   4 37.361  74.722   0.394    3.65    8       24.4       19.2
   87   0   8   1 37.484  74.967   0.395    3.63    4        8.4        1.1
   88   3   5   0 37.493  74.985   0.395    3.63    4       27.5       12.2
   89   1   6   3 37.522  75.044   0.395    3.63    8       17.0        9.3
   90   1   4   4 37.694  75.388   0.397    3.6     8       26.3       22.1
   91   2   7   0 37.719  75.437   0.397    3.59    4       20.6        6.7
   92   3   0   3 37.947  75.894   0.399    3.55    4       34.7       19.0
   93   1   8   0 38.05   76.1     0.4      3.54    4       11.1        1.9
   94   3   1   3 38.273  76.547   0.402    3.5     8       19.0       11.2
   95   2   2   4 38.343  76.685   0.403    3.49    8        4.6        0.7
   96   3   4   2 38.384  76.768   0.403    3.48    8       16.5        8.4
   97   3   5   1 38.451  76.901   0.404    3.47    8        9.6        2.9
   98   2   5   3 38.498  76.996   0.404    3.46    8       32.5       32.4
   99   2   7   1 38.675  77.35    0.406    3.44    8        8.7        2.3
  100   1   8   1 39.004  78.008   0.409    3.39    8        9.3        2.6
  101   3   2   3 39.247  78.495   0.411    3.35    8        9.5        2.7
  102   2   3   4 39.961  79.923   0.417    3.26    8       16.1        7.4
  103   4   0   0 39.973  79.945   0.417    3.26    2       98.0       69.3
  104   4   1   0 40.294  80.589   0.42     3.22    4       12.4        2.2
  105   0   8   2 40.337  80.675   0.42     3.21    4       32.0       14.6
  106   1   5   4 40.609  81.217   0.423    3.18    8       33.1       30.9
  107   0   2   5 40.841  81.682   0.424    3.16    4       36.6       18.8
  108   3   3   3 40.856  81.713   0.425    3.15    8       44.2       54.7
  109   3   6   0 41.053  82.105   0.426    3.13    4        1.4        0.0
  110   1   0   5 41.053  82.106   0.426    3.13    4       29.5       12.1
  111   4   1   1 41.234  82.468   0.428    3.11    8        7.3        1.5
  112   4   2   0 41.256  82.512   0.428    3.11    4        6.7        0.6
  113   3   5   2 41.285  82.571   0.428    3.11    8       58.2       93.4
  114   1   1   5 41.373  82.745   0.429    3.1     8       16.7        7.7
  115   2   7   2 41.506  83.012   0.43     3.09    8       33.7       31.1
  116   1   7   3 41.721  83.441   0.432    3.06    8       16.0        6.9
  117   1   8   2 41.829  83.659   0.433    3.05    8       28.9       22.7
  118   3   6   1 41.989  83.978   0.434    3.04    8       32.5       28.5
  119   2   6   3 42.035  84.07    0.435    3.04    8       25.6       17.6
  120   4   2   1 42.191  84.383   0.436    3.02    8        9.3        2.3
  121   2   4   4 42.202  84.404   0.436    3.02    8       59.0       93.2
  122   1   2   5 42.33   84.659   0.437    3.01    8        2.2        0.1
  123   2   8   0 42.549  85.098   0.439    2.99    4       58.0       44.6
  124   0   6   4 42.632  85.264   0.44     2.98    4        4.9        0.3
  125   4   3   0 42.849  85.699   0.441    2.97    4       19.4        5.0
  126   3   4   3 43.089  86.177   0.443    2.95    8       42.3       46.8
  127   2   8   1 43.48   86.961   0.447    2.92    8       27.6       19.7
  128   1   9   0 43.506  87.013   0.447    2.92    4        6.9        0.6
  129   4   0   2 43.716  87.431   0.449    2.9     4        6.4        0.5
  130   4   3   1 43.78   87.561   0.449    2.9     8        1.7        0.1
  131   1   3   5 43.918  87.836   0.45     2.89    8       49.7       63.4
  132   4   1   2 44.033  88.066   0.451    2.88    8       38.1       37.1
  133   1   6   4 44.113  88.225   0.452    2.88    8       10.9        3.0
  134   1   9   1 44.436  88.873   0.454    2.86    8       16.8        7.1
  135   0   4   5 44.66   89.319   0.456    2.85    4       22.1        6.2
  136   3   6   2 44.783  89.566   0.457    2.84    8        2.1        0.1
  137   3   1   4 44.841  89.682   0.458    2.84    8       31.2       24.5
  138   4   2   2 44.984  89.968   0.459    2.83    8       49.8       62.3


  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   8.555  17.111  5.17785      228.3     16.3     16.6     5.6
    2   1   1   0  10.195  20.389  4.35201       23.5      1.7      1.7     5.6
    3   0   2   1  11.294  22.587  3.93326      387.7     27.8     28.1     5.6
    4   1   0   1  11.828  23.656  3.75789      137.9      9.9     10.0     5.6
    5   1   1   1  12.595  25.19   3.53249      432.3     31.0     31.2     5.6
    6   1   2   0  12.645  25.291  3.51858      120.3      8.6      8.7     5.6
    7   1   2   1  14.671  29.342  3.04132       62.1      4.4      4.5     5.6
    8   0   0   2  14.757  29.515  3.02395      117.9      8.4      8.5     5.6
    9   1   3   0  15.958  31.916  2.80169     1084.4     77.7     78.0     5.6
   10   0   2   2  17.157  34.313  2.61125      176.5     12.6     12.7     5.7
   11   0   4   0  17.309  34.618  2.58893       47.6      3.4      3.4     5.7
   12   1   3   1  17.638  35.276  2.54217      924.4     66.2     66.3     5.7
   13   1   1   2  18.07   36.14   2.48332     1396.2    100.0    100.0     5.7
   14   2   0   0  18.736  37.472  2.39805       87.9      6.3      6.3     5.7
   15   0   4   1  18.883  37.767  2.38003      165.4     11.8     11.8     5.7
   16   2   1   0  19.251  38.502  2.33623      111.3      8.0      8.0     5.7
   17   1   2   2  19.626  39.251  2.29337      310.1     22.2     22.1     5.7
   18   1   4   0  19.762  39.523  2.2782       250.6     17.9     17.9     5.7
   19   2   1   1  20.699  41.398  2.17929      158.8     11.4     11.3     5.7
   20   1   3   2  22.012  44.024  2.05518       90.2      6.5      6.4     5.7
   21   2   3   0  23.024  46.048  1.96945       16.9      1.2      1.2     5.7
   22   0   4   2  23.059  46.117  1.96663       41.4      3.0      2.9     5.7
   23   1   5   0  23.898  47.796  1.90142       68.8      4.9      4.9     5.7
   24   1   1   3  24.904  49.807  1.82924       88.0      6.3      6.2     5.7
   25   1   5   1  25.129  50.258  1.81389       68.6      4.9      4.8     5.8
   26   2   2   2  25.856  51.712  1.76625      966.9     69.3     68.1     5.8
   27   2   4   0  25.966  51.932  1.75929      288.2     20.6     20.3     5.8
   28   1   2   3  26.127  52.254  1.7492        45.7      3.3      3.2     5.8
   29   2   4   1  27.128  54.257  1.68927      168.9     12.1     11.9     5.8
   30   0   6   1  27.653  55.305  1.65969      178.8     12.8     12.5     5.8
   31   2   3   2  27.824  55.647  1.6503        17.2      1.2      1.2     5.8
   32   1   3   3  28.081  56.163  1.63637      229.4     16.4     16.1     5.8
   33   1   5   2  28.59   57.18   1.60966      137.9      9.9      9.6     5.8
   34   0   4   3  28.965  57.929  1.59061      112.4      8.1      7.9     5.8
   35   3   1   0  29.178  58.356  1.57998       59.5      4.3      4.2     5.8
   36   3   1   1  30.257  60.515  1.52868       83.7      6.0      5.8     5.8
   37   2   1   3  30.31   60.62   1.52627       30.5      2.2      2.1     5.8
   38   2   4   2  30.434  60.868  1.52066       67.8      4.9      4.7     5.8
   39   2   5   1  30.508  61.016  1.51732       51.4      3.7      3.6     5.8
   40   0   0   4  30.627  61.255  1.51197      343.4     24.6     23.9     5.8
   41   0   6   2  30.922  61.844  1.49898      452.0     32.4     31.4     5.8
   42   3   2   1  31.339  62.677  1.48104       17.0      1.2      1.2     5.8
   43   3   3   0  32.072  64.144  1.45067       79.5      5.7      5.5     5.9
   44   1   7   0  33.017  66.033  1.41366      173.1     12.4     11.9     5.9
   45   3   3   1  33.096  66.192  1.41066      105.4      7.5      7.3     5.9
   46   3   1   2  33.371  66.742  1.40036      135.0      9.7      9.3     5.9
   47   1   5   3  33.84   67.679  1.38323       16.5      1.2      1.1     5.9
   48   2   6   1  34.362  68.725  1.36472       26.1      1.9      1.8     5.9
   49   3   2   2  34.399  68.797  1.36346      171.2     12.3     11.8     5.9
   50   3   4   0  34.491  68.982  1.36025       50.8      3.6      3.5     5.9
   51   1   3   4  35.374  70.747  1.33058      167.3     12.0     11.4     5.9
   52   3   4   1  35.48   70.961  1.3271        52.6      3.8      3.6     5.9
   53   2   4   3  35.529  71.058  1.32553       26.5      1.9      1.8     5.9
   54   0   6   3  35.981  71.961  1.31109       67.5      4.8      4.6     5.9
   55   0   4   4  36.155  72.31   1.30562       17.5      1.3      1.2     5.9
   56   2   0   4  37.032  74.064  1.27898       52.5      3.8      3.6     6.0
   57   2   6   2  37.301  74.602  1.27108       45.6      3.3      3.1     6.0
   58   2   1   4  37.361  74.722  1.26934       19.2      1.4      1.3     6.0
   59   3   5   0  37.493  74.985  1.26554       22.6      1.6      1.5     6.0
   60   1   4   4  37.694  75.388  1.25978       28.8      2.1      2.0     6.0
   61   3   0   3  37.947  75.894  1.25263       19.0      1.4      1.3     6.0
   62   2   5   3  38.498  76.996  1.23743       32.4      2.3      2.2     6.0
   63   4   0   0  39.973  79.945  1.19903       76.8      5.5      5.2     6.0
   64   0   8   2  40.337  80.675  1.19001       14.6      1.0      1.0     6.1
   65   1   5   4  40.609  81.217  1.18343       30.9      2.2      2.1     6.1
   66   3   3   3  40.856  81.713  1.1775        73.5      5.3      4.9     6.1
   67   3   5   2  41.285  82.571  1.16743       93.4      6.7      6.2     6.1
   68   2   7   2  41.506  83.012  1.16234       31.1      2.2      2.1     6.1
   69   1   8   2  41.829  83.659  1.15499       22.7      1.6      1.5     6.1
   70   3   6   1  41.989  83.978  1.15141       28.5      2.0      1.9     6.1
   71   2   6   3  42.035  84.07   1.15038       17.6      1.3      1.2     6.1
   72   2   4   4  42.202  84.404  1.14668       95.5      6.8      6.3     6.1
   73   2   8   0  42.549  85.098  1.1391        44.6      3.2      3.0     6.1
   74   3   4   3  43.089  86.177  1.12758       46.8      3.4      3.1     6.1
   75   2   8   1  43.48   86.961  1.11942       20.3      1.5      1.3     6.1
   76   1   3   5  43.918  87.836  1.1105        63.4      4.5      4.2     6.2
   77   4   1   2  44.033  88.066  1.1082        37.1      2.7      2.4     6.2
   78   3   1   4  44.841  89.682  1.09238       24.5      1.8      1.6     6.2
   79   4   2   2  44.984  89.968  1.08964       62.3      4.5      4.1     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)