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

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WURTZITE

15, 2H, t-wurtzite 2H, syn, f-sphalerite

(Zn,Fe)S


Hexagonal  P 6(3)mc  Z = 2

P6(3)mc

14 .5 .18

Ref.Str.:

         Kullerud G. (1953)

         * Norsk Geologisk Tidsskrift, 32, 61-147

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   3.8353   alpha =   90.0 
             b =   3.8353   beta  =   90.0 
             c =   6.3008   gamma =  120.0 

    Unit cell volume (cub. angs.) =    80.26

    Molar volume ( cub.cm/mol.) =    24.17

  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    Zn    = 0.57, Fe    = 0.43
   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.)   =      3.86

MU (1/cm) =     233.284    Mass attenuation coefficient (cm**2/g) =     60.447

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

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

    1   Zn   ,Fe             3.18         4
                                                 2.3628       2
                                                 2.3502       2
                                                 2.3503       2
                                                 2.3502       2
    2    S                   4.368       12
                                                 3.8353       2
                                                 3.8353       2
                                                 3.8353       2
                                                 3.8353       2
                                                 3.8353       2
                                                 3.8353       2
                                                 3.8507       2
                                                 3.8507       2
                                                 3.8508       2
                                                 3.8508       2
                                                 3.8507       2
                                                 3.8507       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 15.622  31.245   0.151   24.78    6       36.8     3125.0
    2   0   0   2 16.494  32.989   0.159   22.04    2       53.8     1981.8
    3   1   0   1 17.723  35.447   0.17    18.85   12       29.9     3139.4
    4   1   0   2 23.037  46.073   0.219   10.51   12       24.2     1149.6
    5   1   1   0 27.803  55.606   0.261    6.85    6       60.1     2304.3
    6   1   0   3 30.257  60.514   0.282    5.66   12       46.8     2313.6
    7   2   0   0 32.588  65.176   0.301    4.81    6       28.0      351.2
    8   1   1   2 33.097  66.193   0.305    4.66   12       41.7     1508.3
    9   2   0   1 33.848  67.695   0.311    4.44   12       24.0      476.4
   10   0   0   4 34.6    69.199   0.317    4.24    2       19.3       49.0
   11   2   0   2 37.506  75.012   0.34     3.63   12       19.6      260.2
   12   1   0   4 38.937  77.873   0.351    3.4    12        9.0       51.1
   13   2   0   3 43.364  86.727   0.384    2.93   12       39.4      844.6


  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   0   0  15.622  31.245  3.32147     3125.0     99.5     99.9     5.6
    2   0   0   2  16.494  32.989  3.1504      1981.8     63.1     63.3     5.6
    3   1   0   1  17.723  35.447  2.93822     3139.4    100.0    100.0     5.7
    4   1   0   2  23.037  46.073  2.28575     1149.6     36.6     36.2     5.7
    5   1   1   0  27.803  55.606  1.91765     2304.3     73.4     71.8     5.8
    6   1   0   3  30.257  60.514  1.77515     2313.6     73.7     71.6     5.8
    7   2   0   0  32.588  65.176  1.66073      351.2     11.2     10.8     5.9
    8   1   1   2  33.097  66.193  1.63805     1508.3     48.0     46.2     5.9
    9   2   0   1  33.848  67.695  1.60589      476.4     15.2     14.6     5.9
   10   0   0   4  34.6    69.199  1.5752        49.0      1.6      1.5     5.9
   11   2   0   2  37.506  75.012  1.46911      260.2      8.3      7.8     6.0
   12   1   0   4  38.937  77.873  1.42326       51.1      1.6      1.5     6.0
   13   2   0   3  43.364  86.727  1.30269      844.6     26.9     24.8     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)