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

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          ***      W W W - X R A Y P O L       ***
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LINNAEITE

1, t-spinel, f-sulfospinelides, s-linnaeite

Co(3)S(4)


Cubic  * Fd3m  Z = 8

*Fd3m

26 .3 .1990

Ref.Str.:

         F.S. Grimaldi (1964)

         * Amer. Mineral., 49, 543-555

Ref.Composition & Lattice:

         Lundqvist, Dick (1947)

         * Ark. Kemi, Min. och. Geol.., 24 A, N 21, 1-12

Reserv:

         The coordinates of atoms are from greigite. N.A.D.

                   Initial data from BDM-file 

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

             a =   9.457    alpha =   90.0 
             b =   9.457    beta  =   90.0 
             c =   9.457    gamma =   90.0 

    Unit cell volume (cub. angs.) =   845.79

    Molar volume ( cub.cm/mol.) =    63.68

  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    Co    = 1.00
   2 0.5     0.5     0.5      0.0    Co    = 1.00
   3 0.2505  0.2505  0.2505   0.0    S     = 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     0.2505     0.2505     0.2505
     4       1     0.875      0.875      0.875 
     5       3     0.7495     0.7495     0.7495
     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     0.2495     0.0005     0.5005
    13       3     0.4995     0.9995     0.7505
    14       3     0.5005     0.2495     0.0005
    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     0.7505     0.4995     0.9995
    19       3     0.0005     0.5005     0.2495
    20       3     0.9995     0.7505     0.4995
    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     0.2495     0.5005     0.0005
    25       3     0.9995     0.4995     0.7505
    26       3     0.0005     0.2495     0.5005
    27       3     0.7505     0.9995     0.4995
    28       3     0.5005     0.0005     0.2495
    29       3     0.4995     0.7505     0.9995
    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     0.4995     0.4995     0.2505
    40       3     0.0005     0.7495     0.0005
    41       3     0.7505     0.2505     0.7505
    42       3     0.5005     0.7495     0.5005
    43       3     0.7505     0.7505     0.2505
    44       3     0.7495     0.0005     0.0005
    45       3     0.2505     0.7505     0.7505
    46       3     0.7495     0.5005     0.5005
    47       3     0.9995     0.9995     0.2505
    48       3     0.0005     0.0005     0.7495
    49       3     0.4995     0.2505     0.4995
    50       3     0.2495     0.7495     0.2495
    51       3     0.9995     0.2505     0.9995
    52       3     0.2495     0.2495     0.7495
    53       3     0.2505     0.4995     0.4995
    54       3     0.7495     0.2495     0.2495
    55       3     0.2505     0.9995     0.9995
    56       3     0.5005     0.5005     0.7495


X-ray density (g/cm cub.)   =      4.79

MU (1/cm) =     443.455    Mass attenuation coefficient (cm**2/g) =     92.588

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

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

    1    Co                  3.12         4
                                                 2.0557       3
                                                 2.0557       3
                                                 2.0557       3
                                                 2.0557       3
    2    Co                  3.12         6
                                                 2.3595       3
                                                 2.3595       3
                                                 2.3595       3
                                                 2.3595       3
                                                 2.3595       3
                                                 2.3595       3
    3    S                   4.368       12
                                                 3.3436       3
                                                 3.3436       3
                                                 3.3436       3
                                                 3.3436       3
                                                 3.3436       3
                                                 3.3436       3
                                                 3.3302       3
                                                 3.3569       3
                                                 3.3302       3
                                                 3.3569       3
                                                 3.3302       3
                                                 3.3569       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  9.429  18.857   0.092   71.6     8       60.9      296.8
    2   2   2   0 15.517  31.033   0.15    25.15   12      183.3     1416.9
    3   3   1   0 17.403  34.806   0.167   19.61   24        0.0        0.0
    4   1   1   3 18.282  36.564   0.175   17.61   24      299.4     5293.7
    5   2   2   2 19.126  38.251   0.183   15.94    8       23.5        9.8
    6   4   0   0 22.23   44.46    0.211   11.39    6      511.4     2499.1
    7   3   3   1 24.348  48.695   0.23     9.27   24       44.3       61.2
    8   2   2   4 27.604  55.208   0.259    6.97   24      152.5      544.0
    9   1   1   5 29.437  58.873   0.275    6.02   24      256.6     1330.9
   10   3   3   3 29.437  58.873   0.275    6.02    8      249.0      417.7
   11   4   4   0 32.346  64.693   0.299    4.89   12      715.5     4200.2
   12   5   3   0 33.47   66.94    0.308    4.55   24        0.0        0.0
   13   5   3   1 34.025  68.05    0.313    4.39   48       41.9       51.7
   14   4   4   2 34.575  69.151   0.317    4.25   24        0.0        0.0
   15   6   2   0 36.74   73.48    0.334    3.77   24      132.9      223.5
   16   3   3   5 38.332  76.664   0.347    3.49   24      221.4      574.0
   17   2   2   6 38.857  77.715   0.351    3.41   24        9.7        1.1
   18   4   4   4 40.941  81.882   0.366    3.14    8      387.3      527.5
   19   7   1   0 41.974  83.948   0.374    3.04   24        0.0        0.0
   20   1   1   7 42.489  84.978   0.378    3.0    24       33.9       11.5
   21   5   5   1 42.489  84.978   0.378    3.0    24       40.4       16.4


  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   9.429  18.857  5.46         296.8      5.6      5.7     5.6
    2   2   2   0  15.517  31.033  3.34355     1416.9     26.8     26.9     5.6
    3   1   1   3  18.282  36.564  2.85139     5293.7    100.0    100.0     5.7
    4   4   0   0  22.23   44.46   2.36425     2499.1     47.2     46.8     5.7
    5   3   3   1  24.348  48.695  2.16958       61.2      1.2      1.1     5.7
    6   2   2   4  27.604  55.208  1.9304       544.0     10.3     10.1     5.8
    7   1   1   5  29.437  58.873  1.82        1748.6     33.0     32.2     5.8
    8   4   4   0  32.346  64.693  1.67178     4200.2     79.3     76.6     5.9
    9   6   2   0  36.74   73.48   1.49528      223.5      4.2      4.0     6.0
   10   3   3   5  38.332  76.664  1.44218      574.0     10.8     10.2     6.0
   11   4   4   4  40.941  81.882  1.365        527.5     10.0      9.3     6.1

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)