Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

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MAGNETITE

11, t-spinel invers, at 45 kbar, f-oxospinelides, sf-spinel, s-magnetite

Fe(3)O(4)


Cubic  * Fd3m  Z = 8

R =0.043          NR =66

12 .5 .1998

Ref.Str.:

         Figner L.W., Hazen R.M., Hofmeister A.M. (1996)

         * Phys. Chem. Minerals, 13, 215-220

Reserv:

         D.T.N.

                   Initial data from BDM-file 

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

             a =   8.3153   alpha =   90.0 
             b =   8.3153   beta  =   90.0 
             c =   8.3153   gamma =   90.0 

    Unit cell volume (cub. angs.) =   574.95

    Molar volume ( cub.cm/mol.) =    43.29

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

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

   1 0.125   0.125   0.125    0.5    Fe    = 1.00
   2 0.5     0.5     0.5      0.58   Fe    = 1.00
   3 0.2551  0.2551  0.2551   0.62   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.125      0.125      0.125 
     2       2     0.5        0.5        0.5   
     3       3     0.2551     0.2551     0.2551
     4       1     0.875      0.875      0.875 
     5       3     0.7449     0.7449     0.7449
     6       1     0.375      0.875      0.375 
     7       1     0.625      0.125      0.625 
     8       1     0.375      0.375      0.875 
     9       2     0.0        0.25       0.75  
    10       2     0.25       0.75       0.0   
    11       2     0.75       0.0        0.25  
    12       3     0.2449     0.0051     0.5051
    13       3     0.4949     0.9949     0.7551
    14       3     0.5051     0.2449     0.0051
    15       1     0.625      0.625      0.125 
    16       1     0.875      0.375      0.375 
    17       1     0.125      0.625      0.625 
    18       3     0.7551     0.4949     0.9949
    19       3     0.0051     0.5051     0.2449
    20       3     0.9949     0.7551     0.4949
    21       2     0.0        0.75       0.25  
    22       2     0.75       0.25       0.0   
    23       2     0.25       0.0        0.75  
    24       3     0.2449     0.5051     0.0051
    25       3     0.9949     0.4949     0.7551
    26       3     0.0051     0.2449     0.5051
    27       3     0.7551     0.9949     0.4949
    28       3     0.5051     0.0051     0.2449
    29       3     0.4949     0.7551     0.9949
    30       2     0.25       0.25       0.5   
    31       2     0.25       0.5        0.25  
    32       2     0.0        0.5        0.0   
    33       2     0.75       0.5        0.75  
    34       2     0.0        0.0        0.5   
    35       2     0.5        0.25       0.25  
    36       2     0.5        0.0        0.0   
    37       2     0.5        0.75       0.75  
    38       2     0.75       0.75       0.5   
    39       3     0.4949     0.4949     0.2551
    40       3     0.0051     0.7449     0.0051
    41       3     0.7551     0.2551     0.7551
    42       3     0.5051     0.7449     0.5051
    43       3     0.7551     0.7551     0.2551
    44       3     0.7449     0.0051     0.0051
    45       3     0.2551     0.7551     0.7551
    46       3     0.7449     0.5051     0.5051
    47       3     0.9949     0.9949     0.2551
    48       3     0.0051     0.0051     0.7449
    49       3     0.4949     0.2551     0.4949
    50       3     0.2449     0.7449     0.2449
    51       3     0.9949     0.2551     0.9949
    52       3     0.2449     0.2449     0.7449
    53       3     0.2551     0.4949     0.4949
    54       3     0.7449     0.2449     0.2449
    55       3     0.2551     0.9949     0.9949
    56       3     0.5051     0.5051     0.7449


X-ray density (g/cm cub.)   =      5.35

MU (1/cm) =     230.635    Mass attenuation coefficient (cm**2/g) =     43.126

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

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

    1    Fe                  2.592        4
                                                 1.8738       3
                                                 1.8738       3
                                                 1.8738       3
                                                 1.8738       3
    2    Fe                  2.592        6
                                                 2.0373       3
                                                 2.0373       3
                                                 2.0373       3
                                                 2.0373       3
                                                 2.0373       3
                                                 2.0373       3
    3    O                   3.264       12
                                                 2.9411       3
                                                 2.9411       3
                                                 2.9411       3
                                                 2.9411       3
                                                 2.9411       3
                                                 2.9411       3
                                                 2.82         3
                                                 3.0599       3
                                                 2.82         3
                                                 3.0599       3
                                                 2.82         3
                                                 3.0599       3

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   1   1   1 10.738  21.475   0.104   54.71    8       65.6      570.6
    2   2   2   0 17.713  35.426   0.17    18.87   12      167.1     1913.0
    3   3   1   0 19.887  39.773   0.19    14.62   24        0.0        0.0
    4   1   1   3 20.902  41.803   0.199   13.08   24      265.3     6685.3
    5   2   2   2 21.878  43.755   0.208   11.81    8      138.6      548.9
    6   4   0   0 25.485  50.97    0.241    8.36    6      295.6     1325.0
    7   3   3   1 27.961  55.923   0.262    6.77   24       28.6       40.3
    8   2   2   4 31.801  63.602   0.295    5.07   24      129.1      614.0
    9   1   1   5 33.982  67.965   0.312    4.4    24      225.0     1618.3
   10   3   3   3 33.982  67.965   0.312    4.4     8      194.9      404.7
   11   4   4   0 37.481  74.962   0.34     3.63   12      454.8     2726.9
   12   5   3   0 38.846  77.691   0.351    3.41   24        0.0        0.0
   13   5   3   1 39.522  79.045   0.356    3.32   48       36.8       65.2
   14   4   4   2 40.196  80.393   0.361    3.23   24        1.6        0.1
   15   6   2   0 42.869  85.737   0.38     2.96   24      105.8      240.9
   16   3   3   5 44.859  89.719   0.394    2.84   24      174.2      624.6


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (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   1  10.738  21.475  4.80084      570.6      8.5      8.7     5.6
    2   2   2   0  17.713  35.426  2.9399      1913.0     28.6     28.8     5.7
    3   1   1   3  20.902  41.803  2.50716     6685.3    100.0    100.0     5.7
    4   2   2   2  21.878  43.755  2.40042      548.9      8.2      8.2     5.7
    5   4   0   0  25.485  50.97   2.07882     1325.0     19.8     19.6     5.8
    6   2   2   4  31.801  63.602  1.69735      614.0      9.2      8.9     5.9
    7   1   1   5  33.982  67.965  1.60028     2022.9     30.3     29.2     5.9
    8   4   4   0  37.481  74.962  1.46995     2726.9     40.8     38.9     6.0
    9   6   2   0  42.869  85.737  1.31476      240.9      3.6      3.3     6.1
   10   3   3   5  44.859  89.719  1.26807      624.6      9.3      8.6     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)