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

50, t-olivine, analogue, at 5.15 GPa

LiScSiO(4)


Orthorhombic  P bnm  Z = 4

R =0.036          NR =174

19 .11 .1996

Ref.Str.:

         Hazen R.M., Downs R.T., Finger L.W. (1996)

         * Amer. Mineral., 81, 327-334

Reserv:

         In original - olivine[36].    N.A.D.

                   Initial data from BDM-file 

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

             a =   4.7535   alpha =   90.0 
             b =  10.2864   beta  =   90.0 
             c =   5.8895   gamma =   90.0 

    Unit cell volume (cub. angs.) =   287.98

    Molar volume ( cub.cm/mol.) =    43.36

  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      1.2    Li    = 1.00
   2 0.9868  0.2735  0.25     0.32   Sc    = 1.00
   3 0.4266  0.0883  0.25     0.36   Si    = 1.00
   4 0.7587  0.0968  0.25     0.49   O     = 1.00
   5 0.2073  0.4445  0.25     0.57   O     = 1.00
   6 0.2748  0.1667  0.0382   0.46   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     0.9868     0.2735     0.25  
     3       3     0.4266     0.0883     0.25  
     4       4     0.7587     0.0968     0.25  
     5       5     0.2073     0.4445     0.25  
     6       6     0.2748     0.1667     0.0382
     7       2     0.0132     0.7265     0.75  
     8       3     0.5734     0.9117     0.75  
     9       4     0.2413     0.9032     0.75  
    10       5     0.7927     0.5555     0.75  
    11       6     0.7252     0.8333     0.9618
    12       1     0.0        0.0        0.5   
    13       6     0.7252     0.8333     0.5382
    14       6     0.2748     0.1667     0.4618
    15       1     0.5        0.5        0.0   
    16       2     0.5132     0.7735     0.25  
    17       3     0.0734     0.5883     0.25  
    18       4     0.7413     0.5968     0.25  
    19       5     0.2927     0.9445     0.25  
    20       6     0.2252     0.6667     0.0382
    21       2     0.4868     0.2265     0.75  
    22       3     0.9266     0.4117     0.75  
    23       4     0.2587     0.4032     0.75  
    24       5     0.7073     0.0555     0.75  
    25       6     0.7748     0.3333     0.9618
    26       1     0.5        0.5        0.5   
    27       6     0.7748     0.3333     0.5382
    28       6     0.2252     0.6667     0.4618


X-ray density (g/cm cub.)   =      3.32

MU (1/cm) =     247.075    Mass attenuation coefficient (cm**2/g) =     74.423

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

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

    1    Li                  2.448        6
                                                 2.1154       4
                                                 2.1673       6
                                                 2.1154       4
                                                 2.1673       6
                                                 2.1047       5
                                                 2.1047       5
    2    Sc                  2.628        6
                                                 2.1164       4
                                                 2.0476       5
                                                 2.1534       6
                                                 2.1534       6
                                                 2.0676       6
                                                 2.0676       6
    3    Si                  2.1          4
                                                 1.5811       4
                                                 1.6514       6
                                                 1.6514       6
                                                 1.6103       5
    4    O                   3.264       12
                                                 2.8446       6
                                                 2.7137       6
                                                 3.202        6
                                                 3.202        6
                                                 2.8446       6
                                                 2.7137       6
                                                 2.9829       5
                                                 2.7131       5
                                                 2.9853       5
                                                 2.9853       5
                                                 2.9673       6
                                                 2.9673       6
    5    O                   3.264       10
                                                 3.1344       6
                                                 3.1344       6
                                                 2.9829       4
                                                 2.7131       4
                                                 2.6053       6
                                                 2.9853       4
                                                 2.9853       4
                                                 2.901        6
                                                 2.901        6
                                                 2.6053       6
    6    O                   3.264       10
                                                 2.7137       4
                                                 2.8446       4
                                                 3.1344       5
                                                 3.202        4
                                                 2.4948       6
                                                 2.6053       5
                                                 2.9673       4
                                                 2.901        5
                                                 2.9645       6
                                                 2.9645       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  8.613  17.227   0.097   86.23    2       37.4      291.1
    2   1   1   0 10.283  20.566   0.116   59.85    4       48.6      681.9
    3   0   2   1 11.469  22.938   0.129   47.7     4       40.0      368.9
    4   1   0   1 12.019  24.039   0.135   43.24    4       26.1      141.8
    5   1   2   0 12.748  25.495   0.143   38.21    4       23.5      101.7
    6   1   1   1 12.785  25.57    0.144   37.98    8       47.9      838.9
    7   1   2   1 14.863  29.725   0.167   27.58    8       17.3       80.1
    8   0   0   2 15.164  30.327   0.17    26.42    2      105.0      702.5
    9   1   3   0 16.081  32.162   0.18    23.28    4       41.4      192.5
   10   0   4   0 17.43   34.859   0.194   19.55    2        1.8        0.1
   11   0   2   2 17.543  35.086   0.196   19.27    4        3.0        0.8
   12   1   3   1 17.838  35.675   0.199   18.58    8       83.9     1260.5
   13   1   1   2 18.463  36.925   0.206   17.23    8       46.4      357.1
   14   2   0   0 18.91   37.821   0.21    16.34    2        7.9        2.4
   15   0   4   1 19.077  38.154   0.212   16.03    4       47.8      176.6
   16   2   1   0 19.428  38.857   0.216   15.4     4       34.5       88.3
   17   1   4   0 19.911  39.822   0.221   14.58    4       58.1      237.7
   18   1   2   2 20.012  40.024   0.222   14.42    8       47.3      310.7
   19   2   2   0 20.917  41.835   0.232   13.06    4       38.8       95.0
   20   2   1   1 20.942  41.883   0.232   13.03    8       36.4      166.6
   21   1   4   1 21.396  42.791   0.237   12.42    8        0.1        0.0
   22   2   2   1 22.348  44.695   0.247   11.26    8       11.3       13.9
   23   1   3   2 22.395  44.789   0.247   11.2     8       12.6       17.2
   24   2   3   0 23.225  46.449   0.256   10.32    4       13.7        9.4
   25   0   4   2 23.433  46.865   0.258   10.11    4       23.4       26.7
   26   1   5   0 24.078  48.156   0.265    9.51    4        3.9        0.7
   27   2   3   1 24.548  49.097   0.27     9.1     8        2.6        0.6
   28   2   0   2 24.613  49.225   0.27     9.05    4       64.4      181.1
   29   0   2   3 24.833  49.666   0.273    8.86    4        0.7        0.0
   30   2   1   2 25.034  50.068   0.275    8.7     8       12.8       13.8
   31   1   0   3 25.12   50.239   0.276    8.64    4       12.3        6.3
   32   1   5   1 25.368  50.736   0.278    8.44    8       33.0       88.7
   33   1   4   2 25.431  50.862   0.279    8.4     8        8.5        5.8
   34   1   1   3 25.535  51.07    0.28     8.32    8       40.1      129.3
   35   2   4   0 26.187  52.375   0.286    7.85    4       61.1      141.3
   36   2   2   2 26.269  52.539   0.287    7.8     8       75.3      426.2
   37   0   6   0 26.699  53.398   0.292    7.52    2       48.8       43.1
   38   1   2   3 26.754  53.507   0.292    7.48    8       27.5       54.8
   39   2   4   1 27.405  54.811   0.299    7.08    8       52.5      188.5
   40   0   6   1 27.901  55.802   0.304    6.8     4       65.3      139.7
   41   2   3   2 28.243  56.485   0.307    6.61    8       13.4       11.4
   42   1   6   0 28.531  57.061   0.31     6.46    4        4.8        0.7
   43   1   3   3 28.704  57.409   0.312    6.38    8       68.1      285.3
   44   1   5   2 28.988  57.977   0.315    6.24    8        8.7        4.5
   45   3   1   0 29.463  58.927   0.319    6.01    4        8.0        1.9
   46   0   4   3 29.58   59.159   0.32     5.96    4       64.0      117.6
   47   2   5   0 29.683  59.366   0.321    5.91    4        0.1        0.0
   48   1   6   1 29.684  59.367   0.321    5.91    8        1.3        0.1
   49   3   0   1 30.227  60.453   0.327    5.68    4       17.6        8.5
   50   3   2   0 30.576  61.152   0.33     5.53    4       28.3       21.4
   51   3   1   1 30.595  61.189   0.33     5.53    8       39.4       82.6
   52   2   5   1 30.809  61.618   0.332    5.44    8       30.2       47.7
   53   2   4   2 30.864  61.729   0.333    5.42    8       18.1       17.1
   54   2   1   3 30.956  61.913   0.334    5.38    8       25.1       32.8
   55   1   4   3 31.302  62.604   0.337    5.25    8       10.5        5.6
   56   0   6   2 31.325  62.651   0.337    5.25    4      108.3      296.6
   57   0   0   4 31.544  63.088   0.34     5.17    2      124.9      194.4
   58   3   2   1 31.683  63.367   0.341    5.12    8       24.6       29.9
   59   2   2   3 32.038  64.077   0.344    4.99    8       13.3        8.5
   60   3   3   0 32.38   64.76    0.348    4.88    4       17.2        7.0
   61   0   2   4 32.968  65.936   0.353    4.69    4       17.1        6.6
   62   1   6   2 32.995  65.99    0.353    4.69    8        4.2        0.8
   63   1   7   0 33.275  66.55    0.356    4.6     4       62.6       87.1
   64   3   3   1 33.454  66.909   0.358    4.55    8       54.1      128.4
   65   1   1   4 33.557  67.115   0.359    4.52    8       28.4       35.1
   66   2   6   0 33.641  67.282   0.36     4.5     4       48.4       50.8
   67   2   3   3 33.799  67.599   0.361    4.45    8        9.0        3.5
   68   3   1   2 33.855  67.711   0.362    4.44    8       13.9        8.2
   69   2   5   2 34.059  68.117   0.364    4.38    8       13.7        7.9
   70   1   7   1 34.335  68.67    0.366    4.31    8        3.3        0.5
   71   1   5   3 34.474  68.949   0.367    4.27    8       23.2       22.3
   72   1   2   4 34.596  69.192   0.369    4.24    8        5.8        1.4
   73   2   6   1 34.696  69.392   0.369    4.22    8       20.8       17.6
   74   3   4   0 34.82   69.641   0.371    4.19    4       53.0       56.7
   75   3   2   2 34.89   69.779   0.371    4.17    8       63.1      160.0
   76   3   4   1 35.859  71.718   0.38     3.95    8       33.7       43.4
   77   2   4   3 36.193  72.387   0.383    3.88    8       26.0       25.3
   78   1   3   4 36.296  72.592   0.384    3.86    8       25.0       23.2
   79   3   3   2 36.584  73.168   0.387    3.8     8       27.5       27.7
   80   0   6   3 36.62   73.24    0.387    3.79    4       53.2       51.7
   81   0   8   0 36.803  73.606   0.389    3.76    2        8.7        0.7
   82   0   4   4 37.073  74.147   0.391    3.71    4        7.5        1.0
   83   1   7   2 37.432  74.865   0.395    3.64    8       52.9       98.4
   84   2   6   2 37.781  75.561   0.398    3.58    8       12.2        5.1
   85   0   8   1 37.82   75.639   0.398    3.57    4        0.3        0.0
   86   3   5   0 37.851  75.702   0.398    3.57    4       11.6        2.3
   87   2   0   4 37.981  75.963   0.399    3.55    4       27.7       13.1
   88   2   7   0 38.045  76.09    0.4      3.54    4       17.3        5.1
   89   1   6   3 38.179  76.359   0.401    3.51    8       20.5       14.2
   90   2   1   4 38.312  76.624   0.402    3.49    8       20.5       14.2
   91   1   8   0 38.36   76.719   0.403    3.49    4       11.6        2.2
   92   1   4   4 38.626  77.252   0.405    3.44    8       20.6       14.0
   93   3   0   3 38.662  77.324   0.406    3.44    4       34.2       19.4
   94   3   5   1 38.858  77.716   0.407    3.41    8       16.6        9.0
   95   3   4   2 38.908  77.815   0.408    3.4     8       15.7        8.1
   96   3   1   3 38.991  77.981   0.408    3.39    8       25.8       21.7
   97   2   7   1 39.051  78.101   0.409    3.38    8       14.7        7.0
   98   2   5   3 39.183  78.366   0.41     3.36    8       29.4       28.0
   99   2   2   4 39.299  78.598   0.411    3.35    8       30.5       30.0
  100   1   8   1 39.363  78.725   0.412    3.34    8       18.5       11.1
  101   3   2   3 39.973  79.946   0.417    3.26    8       12.9        5.2
  102   4   0   0 40.404  80.809   0.421    3.21    2       65.7       33.4
  103   4   1   0 40.73   81.459   0.424    3.17    4       17.3        4.6
  104   0   8   2 40.82   81.64    0.424    3.16    4        4.6        0.3
  105   2   3   4 40.929  81.859   0.425    3.15    8       12.3        4.6
  106   3   6   0 41.45   82.9     0.43     3.09    4        3.5        0.2
  107   1   5   4 41.562  83.124   0.431    3.08    8        0.2        0.0
  108   3   3   3 41.597  83.194   0.431    3.08    8       46.0       62.9
  109   4   2   0 41.702  83.404   0.432    3.07    4       34.8       17.9
  110   4   1   1 41.718  83.437   0.432    3.06    8        8.5        2.1
  111   3   5   2 41.839  83.677   0.433    3.05    8       27.5       22.2
  112   2   7   2 42.028  84.056   0.435    3.04    8       26.7       20.8
  113   0   2   5 42.135  84.269   0.435    3.03    4       32.5       15.4
  114   1   8   2 42.335  84.671   0.437    3.01    8       23.0       15.3
  115   1   0   5 42.355  84.71    0.437    3.01    4       26.9       10.5
  116   1   7   3 42.417  84.834   0.438    3.0     8        0.0        0.0
  117   3   6   1 42.436  84.871   0.438    3.0     8       29.3       24.9
  118   1   1   5 42.677  85.355   0.44     2.98    8       22.9       15.0
  119   4   2   1 42.687  85.374   0.44     2.98    8        7.1        1.5
  120   2   6   3 42.755  85.51    0.441    2.97    8       19.2       10.6
  121   2   8   0 42.931  85.861   0.442    2.96    4       29.2       12.2
  122   2   4   4 43.191  86.382   0.444    2.94    8       35.7       36.2
  123   4   3   0 43.315  86.63    0.445    2.93    4       19.6        5.4
  124   0   6   4 43.599  87.198   0.448    2.91    4       47.2       31.3
  125   1   2   5 43.643  87.287   0.448    2.91    8        2.7        0.2
  126   3   4   3 43.854  87.707   0.45     2.89    8       37.1       38.4
  127   1   9   0 43.881  87.761   0.45     2.89    4       32.2       14.5
  128   2   8   1 43.912  87.825   0.45     2.89    8       26.7       19.9
  129   4   3   1 44.296  88.591   0.453    2.87    8        1.8        0.1
  130   4   0   2 44.344  88.689   0.454    2.86    4       23.7        7.7
  131   4   1   2 44.666  89.332   0.456    2.85    8       34.9       33.4
  132   1   9   1 44.861  89.722   0.458    2.84    8       30.3       25.1


  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   8.613  17.227  5.1432       291.1     23.1     23.4     5.6
    2   1   1   0  10.283  20.566  4.31504      681.9     54.1     54.8     5.6
    3   0   2   1  11.469  22.938  3.87395      368.9     29.3     29.6     5.6
    4   1   0   1  12.019  24.039  3.69899      141.8     11.2     11.4     5.6
    5   1   2   0  12.748  25.495  3.49088      101.7      8.1      8.1     5.6
    6   1   1   1  12.785  25.57   3.48077      838.9     66.6     67.1     5.6
    7   1   2   1  14.863  29.725  3.003         80.1      6.4      6.4     5.6
    8   0   0   2  15.164  30.327  2.94475      702.5     55.7     56.0     5.6
    9   1   3   0  16.081  32.162  2.78085      192.5     15.3     15.3     5.6
   10   1   3   1  17.838  35.675  2.51463     1260.5    100.0    100.0     5.7
   11   1   1   2  18.463  36.925  2.43233      357.1     28.3     28.3     5.7
   12   0   4   1  19.077  38.154  2.35673      176.6     14.0     14.0     5.7
   13   2   1   0  19.428  38.857  2.31574       88.3      7.0      7.0     5.7
   14   1   4   0  19.911  39.822  2.26183      237.7     18.9     18.8     5.7
   15   1   2   2  20.012  40.024  2.25086      310.7     24.6     24.5     5.7
   16   2   1   1  20.942  41.883  2.15513      261.6     20.8     20.6     5.7
   17   2   2   1  22.348  44.695  2.02586       13.9      1.1      1.1     5.7
   18   1   3   2  22.395  44.789  2.02182       17.2      1.4      1.4     5.7
   19   0   4   2  23.433  46.865  1.93697       26.7      2.1      2.1     5.7
   20   2   0   2  24.613  49.225  1.84949      181.1     14.4     14.2     5.7
   21   2   1   2  25.034  50.068  1.8203        13.8      1.1      1.1     5.7
   22   1   5   1  25.368  50.736  1.79791       88.7      7.0      6.9     5.8
   23   1   1   3  25.535  51.07   1.78692      129.3     10.3     10.1     5.8
   24   2   4   0  26.187  52.375  1.74544      141.3     11.2     11.0     5.8
   25   2   2   2  26.269  52.539  1.74039      426.2     33.8     33.2     5.8
   26   0   6   0  26.699  53.398  1.7144        43.1      3.4      3.4     5.8
   27   1   2   3  26.754  53.507  1.71114       54.8      4.3      4.3     5.8
   28   2   4   1  27.405  54.811  1.67349      188.5     15.0     14.6     5.8
   29   0   6   1  27.901  55.802  1.64608      139.7     11.1     10.8     5.8
   30   1   3   3  28.704  57.409  1.60379      285.3     22.6     22.1     5.8
   31   0   4   3  29.58   59.159  1.56044      117.6      9.3      9.1     5.8
   32   3   1   1  30.595  61.189  1.51344      104.0      8.2      8.0     5.8
   33   2   5   1  30.809  61.618  1.50393       47.7      3.8      3.7     5.8
   34   2   4   2  30.864  61.729  1.5015        17.1      1.4      1.3     5.8
   35   2   1   3  30.956  61.913  1.49748       32.8      2.6      2.5     5.8
   36   0   6   2  31.325  62.651  1.4816       302.1     24.0     23.2     5.8
   37   0   0   4  31.544  63.088  1.47238      194.4     15.4     14.9     5.9
   38   3   2   1  31.683  63.367  1.46657       29.9      2.4      2.3     5.9
   39   1   7   0  33.275  66.55   1.40393       87.1      6.9      6.6     5.9
   40   3   3   1  33.454  66.909  1.39728      128.4     10.2      9.8     5.9
   41   1   1   4  33.557  67.115  1.39349       35.1      2.8      2.7     5.9
   42   2   6   0  33.641  67.282  1.39042       50.8      4.0      3.9     5.9
   43   1   5   3  34.474  68.949  1.36083       22.3      1.8      1.7     5.9
   44   2   6   1  34.696  69.392  1.35322       17.6      1.4      1.3     5.9
   45   3   4   0  34.82   69.641  1.34899       56.7      4.5      4.3     5.9
   46   3   2   2  34.89   69.779  1.34665      160.0     12.7     12.1     5.9
   47   3   4   1  35.859  71.718  1.31494       43.4      3.4      3.3     5.9
   48   2   4   3  36.193  72.387  1.30443       25.3      2.0      1.9     5.9
   49   1   3   4  36.296  72.592  1.30124       23.2      1.8      1.7     6.0
   50   3   3   2  36.584  73.168  1.29241       27.7      2.2      2.1     6.0
   51   0   6   3  36.62   73.24   1.29132       51.7      4.1      3.9     6.0
   52   1   7   2  37.432  74.865  1.26728       98.4      7.8      7.4     6.0
   53   2   0   4  37.981  75.963  1.25166       13.1      1.0      1.0     6.0
   54   1   6   3  38.179  76.359  1.24615       14.2      1.1      1.1     6.0
   55   2   1   4  38.312  76.624  1.2425        14.2      1.1      1.1     6.0
   56   1   4   4  38.626  77.252  1.23396       14.0      1.1      1.0     6.0
   57   3   0   3  38.662  77.324  1.233         19.4      1.5      1.4     6.0
   58   3   1   3  38.991  77.981  1.22423       21.7      1.7      1.6     6.0
   59   2   5   3  39.183  78.366  1.21918       28.0      2.2      2.1     6.0
   60   2   2   4  39.299  78.598  1.21616       30.0      2.4      2.2     6.0
   61   4   0   0  40.404  80.809  1.18837       33.4      2.6      2.5     6.1
   62   3   3   3  41.597  83.194  1.16026       62.9      5.0      4.6     6.1
   63   4   2   0  41.702  83.404  1.15787       20.0      1.6      1.5     6.1
   64   3   5   2  41.839  83.677  1.15478       22.2      1.8      1.6     6.1
   65   2   7   2  42.028  84.056  1.15054       20.8      1.7      1.5     6.1
   66   0   2   5  42.135  84.269  1.14817       15.4      1.2      1.1     6.1
   67   1   8   2  42.335  84.671  1.14375       25.8      2.0      1.9     6.1
   68   3   6   1  42.436  84.871  1.14156       24.9      2.0      1.8     6.1
   69   1   1   5  42.677  85.355  1.13632       16.5      1.3      1.2     6.1
   70   2   4   4  43.191  86.382  1.12543       36.2      2.9      2.7     6.1
   71   0   6   4  43.599  87.198  1.11698       31.3      2.5      2.3     6.2
   72   3   4   3  43.854  87.707  1.11181       52.9      4.2      3.9     6.2
   73   2   8   1  43.912  87.825  1.11062       19.9      1.6      1.5     6.2
   74   4   1   2  44.666  89.332  1.09575       33.4      2.7      2.4     6.2
   75   1   9   1  44.861  89.722  1.09199       25.1      2.0      1.8     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)