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

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SPINEL

81, t-spinel, syn, f-oxospinelides, sf-spinel, s-spinel

MgFe(2)O(4)


Cubic  * Fd3m  Z = 8

R =0.0251          NR =138

30 .6 .1905

Ref.Str.:

         A. Nakatsuka, H. Ueno, N. Nakayama, T. Mizota, H. Maekawa (2004)

         * Phys. Chem. Minerals, 31, 278-287

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   8.36     alpha =   90.0 
             b =   8.36     beta  =   90.0 
             c =   8.36     gamma =   90.0 

    Unit cell volume (cub. angs.) =   584.28

    Molar volume ( cub.cm/mol.) =    43.99

  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    0.66   Mg    = 1.00
   2 0.5     0.5     0.5      0.7    Al    = 0.12, Fe    = 0.88
   3 0.2573  0.2573  0.2573   0.79   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     0.2573     0.2573     0.2573
     4       1     0.875      0.875      0.875 
     5       3     0.7427     0.7427     0.7427
     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     0.2427     0.0073     0.5073
    13       3     0.4927     0.9927     0.7573
    14       3     0.5073     0.2427     0.0073
    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     0.7573     0.4927     0.9927
    19       3     0.0073     0.5073     0.2427
    20       3     0.9927     0.7573     0.4927
    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     0.2427     0.5073     0.0073
    25       3     0.9927     0.4927     0.7573
    26       3     0.0073     0.2427     0.5073
    27       3     0.7573     0.9927     0.4927
    28       3     0.5073     0.0073     0.2427
    29       3     0.4927     0.7573     0.9927
    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     0.4927     0.4927     0.2573
    40       3     0.0073     0.7427     0.0073
    41       3     0.7573     0.2573     0.7573
    42       3     0.5073     0.7427     0.5073
    43       3     0.7573     0.7573     0.2573
    44       3     0.7427     0.0073     0.0073
    45       3     0.2573     0.7573     0.7573
    46       3     0.7427     0.5073     0.5073
    47       3     0.9927     0.9927     0.2573
    48       3     0.0073     0.0073     0.7427
    49       3     0.4927     0.2573     0.4927
    50       3     0.2427     0.7427     0.2427
    51       3     0.9927     0.2573     0.9927
    52       3     0.2427     0.2427     0.7427
    53       3     0.2573     0.4927     0.4927
    54       3     0.7427     0.2427     0.2427
    55       3     0.2573     0.9927     0.9927
    56       3     0.5073     0.5073     0.7427


X-ray density (g/cm cub.)   =      4.39

MU (1/cm) =     187.939    Mass attenuation coefficient (cm**2/g) =     42.764

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

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

    1    Mg                  2.52         4
                                                 1.9157       3
                                                 1.9157       3
                                                 1.9157       3
                                                 1.9157       3
    2   Al   ,Fe             2.592        6
                                                 2.0308       3
                                                 2.0308       3
                                                 2.0308       3
                                                 2.0308       3
                                                 2.0308       3
                                                 2.0308       3
    3    O                   3.264       12
                                                 2.9582       3
                                                 2.9582       3
                                                 2.9582       3
                                                 2.9582       3
                                                 2.9582       3
                                                 2.9582       3
                                                 2.7831       3
                                                 3.1283       3
                                                 2.7831       3
                                                 3.1283       3
                                                 2.7831       3
                                                 3.1283       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 10.68   21.359   0.104   55.33    8      132.9     2290.5
    2   2   2   0 17.615  35.23    0.169   19.1    12       73.6      364.0
    3   3   1   0 19.776  39.552   0.189   14.8    24        0.0        0.0
    4   1   1   3 20.785  41.569   0.198   13.25   24      190.8     3392.3
    5   2   2   2 21.755  43.509   0.207   11.96    8      120.2      404.8
    6   4   0   0 25.339  50.678   0.239    8.47    6      356.2     1888.0
    7   3   3   1 27.799  55.598   0.261    6.86   24       70.0      236.3
    8   2   2   4 31.611  63.223   0.293    5.14   24       56.0      113.4
    9   1   1   5 33.776  67.552   0.311    4.46   24      172.6      934.5
   10   3   3   3 33.776  67.552   0.311    4.46    8      130.3      177.5
   11   4   4   0 37.246  74.493   0.338    3.67   12      370.1     1769.2
   12   5   3   0 38.599  77.199   0.349    3.45   24        0.0        0.0
   13   5   3   1 39.27   78.54    0.354    3.35   48       75.6      269.5
   14   4   4   2 39.938  79.876   0.359    3.26   24        3.3        0.2
   15   6   2   0 42.585  85.17    0.378    2.99   24       44.8       42.1
   16   3   3   5 44.555  89.111   0.392    2.85   24      125.5      315.5


  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  10.68   21.359  4.82665     2290.5     67.5     68.7     5.6
    2   2   2   0  17.615  35.23   2.95571      364.0     10.7     10.8     5.7
    3   1   1   3  20.785  41.569  2.52063     3392.3    100.0    100.0     5.7
    4   2   2   2  21.755  43.509  2.41332      404.8     11.9     11.9     5.7
    5   4   0   0  25.339  50.678  2.09        1888.0     55.7     55.1     5.8
    6   3   3   1  27.799  55.598  1.91792      236.3      7.0      6.9     5.8
    7   2   2   4  31.611  63.223  1.70648      113.4      3.3      3.3     5.9
    8   1   1   5  33.776  67.552  1.60888     1111.9     32.8     31.7     5.9
    9   4   4   0  37.246  74.493  1.47785     1769.2     52.2     49.7     6.0
   10   5   3   1  39.27   78.54   1.4131       269.5      7.9      7.5     6.0
   11   6   2   0  42.585  85.17   1.32183       42.1      1.2      1.2     6.1
   12   3   3   5  44.555  89.111  1.27489      315.5      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)