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

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BUSECKITE

1, t-wurtzite 2H

[Fe(0.46)Zn(0.32)Mn(0.16)Mg(0.04)]S


Hexagonal  P 6(3)mc  Z = 2

P6(3)mc

5 .7 .12

Ref.Str.:

         Ma C., Beckett J.R., Rossman G.R. (2012)

         * Amer. Mineral., 97, 1226-1233

         R: from the Zaklodzie meteorite.   N.A.D.

                   Initial data from BDM-file 

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

             a =   3.8357   alpha =   90.0 
             b =   3.8357   beta  =   90.0 
             c =   6.3002   gamma =  120.0 

    Unit cell volume (cub. angs.) =    80.27

    Molar volume ( cub.cm/mol.) =    24.18

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

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

   1 0.3333  0.6667  0.0      0.0    Fe    = 0.46, Zn    = 0.32, Mn    = 0.2 
   2 0.3333  0.6667  0.375    0.0    S     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3333     0.6667     0.0   
     2       2     0.3333     0.6667     0.375 
     3       1     0.6667     0.3333     0.5   
     4       2     0.6667     0.3333     0.875 


X-ray density (g/cm cub.)   =      3.71

MU (1/cm) =     236.428    Mass attenuation coefficient (cm**2/g) =     63.759

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

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

    1   Fe   ,Zn   ,Mn       3.276        4
                                                 2.3626       2
                                                 2.3504       2
                                                 2.3504       2
                                                 2.3504       2
    2    S                   4.368       12
                                                 3.8357       2
                                                 3.8357       2
                                                 3.8357       2
                                                 3.8357       2
                                                 3.8357       2
                                                 3.8357       2
                                                 3.8506       2
                                                 3.8506       2
                                                 3.8507       2
                                                 3.8507       2
                                                 3.8506       2
                                                 3.8506       2

  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   0   0 15.621  31.241   0.151   24.79    6       35.1     2842.2
    2   0   0   2 16.496  32.992   0.159   22.04    2       50.8     1766.6
    3   1   0   1 17.722  35.445   0.17    18.85   12       27.4     2635.3
    4   1   0   2 23.037  46.073   0.219   10.51   12       22.8     1016.3
    5   1   1   0 27.8    55.6     0.261    6.86    6       57.0     2070.9
    6   1   0   3 30.258  60.516   0.282    5.66   12       44.3     2065.9
    7   2   0   0 32.584  65.168   0.301    4.81    6       26.5      314.5
    8   1   1   2 33.095  66.189   0.305    4.66   12       39.0     1320.6
    9   2   0   1 33.844  67.688   0.311    4.44   12       21.7      390.8
   10   0   0   4 34.603  69.207   0.317    4.24    2       16.3       35.1
   11   2   0   2 37.503  75.007   0.34     3.63   12       18.3      227.2
   12   1   0   4 38.939  77.879   0.351    3.4    12        7.6       36.2
   13   2   0   3 43.362  86.724   0.384    2.93   12       37.1      750.2


  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   0   0  15.621  31.241  3.32181     2842.2    100.0    100.0     5.6
    2   0   0   2  16.496  32.992  3.1501      1766.6     62.2     62.1     5.6
    3   1   0   1  17.722  35.445  2.9384      2635.3     92.7     92.4     5.7
    4   1   0   2  23.037  46.073  2.28575     1016.3     35.8     35.2     5.7
    5   1   1   0  27.8    55.6    1.91785     2070.9     72.9     71.0     5.8
    6   1   0   3  30.258  60.516  1.77508     2065.9     72.7     70.3     5.8
    7   2   0   0  32.584  65.168  1.66091      314.5     11.1     10.6     5.9
    8   1   1   2  33.095  66.189  1.63813     1320.6     46.5     44.5     5.9
    9   2   0   1  33.844  67.688  1.60603      390.8     13.8     13.1     5.9
   10   0   0   4  34.603  69.207  1.57505       35.1      1.2      1.2     5.9
   11   2   0   2  37.503  75.007  1.4692       227.2      8.0      7.5     6.0
   12   1   0   4  38.939  77.879  1.42317       36.2      1.3      1.2     6.0
   13   2   0   3  43.362  86.724  1.30272      750.2     26.4     24.2     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)