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       ***
                  ***********************
NICHROMITE

1, f-oxospinelides, sf-spinel, s-chromite

NiCr(2)O(4)


Cubic  * Fd3m  Z = 8

*Fd3m

16 .4 .1997

Ref.Str.:

         Hill R.I., Craig J.R., Gibbs G.V. (1979)

         * Phys. Chem. Minerals, 4, 317-339

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   8.305    alpha =   90.0 
             b =   8.305    beta  =   90.0 
             c =   8.305    gamma =   90.0 

    Unit cell volume (cub. angs.) =   572.82

    Molar volume ( cub.cm/mol.) =    43.13

  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    0.0    Ni    = 1.00
   2 0.5     0.5     0.5      0.0    Cr    = 1.00
   3 0.26    0.26    0.26     0.0    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     0.26       0.26       0.26  
     4       1     0.875      0.875      0.875 
     5       3     0.74       0.74       0.74  
     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     0.24       0.01       0.51  
    13       3     0.49       0.99       0.76  
    14       3     0.51       0.24       0.01  
    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     0.76       0.49       0.99  
    19       3     0.01       0.51       0.24  
    20       3     0.99       0.76       0.49  
    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     0.24       0.51       0.01  
    25       3     0.99       0.49       0.76  
    26       3     0.01       0.24       0.51  
    27       3     0.76       0.99       0.49  
    28       3     0.51       0.01       0.24  
    29       3     0.49       0.76       0.99  
    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     0.49       0.49       0.26  
    40       3     0.01       0.74       0.01  
    41       3     0.76       0.26       0.76  
    42       3     0.51       0.74       0.51  
    43       3     0.76       0.76       0.26  
    44       3     0.74       0.01       0.01  
    45       3     0.26       0.76       0.76  
    46       3     0.74       0.51       0.51  
    47       3     0.99       0.99       0.26  
    48       3     0.01       0.01       0.74  
    49       3     0.49       0.26       0.49  
    50       3     0.24       0.74       0.24  
    51       3     0.99       0.26       0.99  
    52       3     0.24       0.24       0.74  
    53       3     0.26       0.49       0.49  
    54       3     0.74       0.24       0.24  
    55       3     0.26       0.99       0.99  
    56       3     0.51       0.51       0.74  


X-ray density (g/cm cub.)   =      5.26

MU (1/cm) =    1265.814    Mass attenuation coefficient (cm**2/g) =    240.859

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

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

    1    Ni                  2.52         4
                                                 1.9419       3
                                                 1.9419       3
                                                 1.9419       3
                                                 1.9419       3
    2    Cr                  2.628        6
                                                 1.9967       3
                                                 1.9967       3
                                                 1.9967       3
                                                 1.9967       3
                                                 1.9967       3
                                                 1.9967       3
    3    O                   3.264       12
                                                 2.941        3
                                                 2.941        3
                                                 2.941        3
                                                 2.941        3
                                                 2.941        3
                                                 2.941        3
                                                 2.7014       3
                                                 3.1712       3
                                                 2.7014       3
                                                 3.1712       3
                                                 2.7014       3
                                                 3.1712       3

  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   1   1   1  9.244  18.489   0.104   74.57    8       65.2      773.4
    2   2   2   0 15.209  30.417   0.17    26.26   12      165.3     2622.7
    3   3   1   0 17.056  34.111   0.19    20.49   24        0.0        0.0
    4   1   1   3 17.915  35.831   0.2     18.41   24      248.0     8280.4
    5   2   2   2 18.741  37.482   0.209   16.67    8      112.7      516.1
    6   4   0   0 21.777  43.554   0.241   11.93    6      280.8     1720.4
    7   3   3   1 23.846  47.692   0.262    9.72   24        9.2        6.0
    8   2   2   4 27.025  54.049   0.295    7.31   24      125.4      841.3
    9   1   1   5 28.812  57.624   0.313    6.32   24      229.7     2440.0
   10   3   3   3 28.812  57.624   0.313    6.32    8      167.6      432.8
   11   4   4   0 31.646  63.292   0.341    5.13   12      443.5     3690.3
   12   5   3   0 32.739  65.478   0.351    4.76   24        0.0        0.0
   13   5   3   1 33.279  66.557   0.356    4.6    48       37.0       92.0
   14   4   4   2 33.814  67.627   0.361    4.45   24        6.7        1.5
   15   6   2   0 35.916  71.832   0.381    3.94   24      100.8      292.8
   16   3   3   5 37.459  74.918   0.395    3.64   24      168.3      753.5
   17   2   2   6 37.968  75.937   0.399    3.55   24      104.6      284.0
   18   4   4   4 39.985  79.969   0.417    3.26    8      175.5      244.5
   19   7   1   0 40.983  81.966   0.426    3.14   24        0.0        0.0
   20   1   1   7 41.48   82.96    0.43     3.09   24       10.8        2.7
   21   5   5   1 41.48   82.96    0.43     3.09   24       54.2       66.5
   22   6   4   2 43.953  87.906   0.451    2.89   48       93.8      371.3


  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   1   1   1   9.244  18.489  4.79489      773.4      9.3      9.5     5.6
    2   2   2   0  15.209  30.417  2.93626     2622.7     31.7     31.8     5.6
    3   1   1   3  17.915  35.831  2.50405     8280.4    100.0    100.0     5.7
    4   2   2   2  18.741  37.482  2.39745      516.1      6.2      6.2     5.7
    5   4   0   0  21.777  43.554  2.07625     1720.4     20.8     20.6     5.7
    6   2   2   4  27.025  54.049  1.69525      841.3     10.2     10.0     5.8
    7   1   1   5  28.812  57.624  1.5983      2872.8     34.7     33.8     5.8
    8   4   4   0  31.646  63.292  1.46813     3690.3     44.6     43.1     5.9
    9   5   3   1  33.279  66.557  1.4038        92.0      1.1      1.1     5.9
   10   6   2   0  35.916  71.832  1.31314      292.8      3.5      3.4     5.9
   11   3   3   5  37.459  74.918  1.2665       753.5      9.1      8.6     6.0
   12   2   2   6  37.968  75.937  1.25203      284.0      3.4      3.2     6.0
   13   4   4   4  39.985  79.969  1.19872      244.5      3.0      2.8     6.0
   14   6   4   2  43.953  87.906  1.1098       371.3      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)