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CODE:
*data for   ICSD #67777
Coll Code   67777
Rec  Date   1994/06/30
Mod  Date   2003/04/01
Chem Name   Zinc Sulfide
Structured  Zn S
Sum         S1 Zn1
ANX         AX
Min Name    Wurtzite
D(calc)     4.23
Title       Zinc-blende-wurtzite polytypism in semiconductors
Author(s)   Yeh, C.;Lu, Z.W.;Froyen, S.;Zunger, A.
Reference   Physical Review, Serie 3. B - Condensed Matter (18,1978-)
            (1992), 46(16), 10086-10097
Unit Cell   3.777 3.777 6.188 90. 90. 120.
Vol         76.45
Z           2
Space Group P 63 m c
SG Number   186
Cryst Sys   hexagonal
Pearson     hP4
Wyckoff     b2
Red Cell    P  3.777 3.777 6.188 90 90 120 76.45
Trans Red   1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments    Compound with mineral name: Wurtzite
            The structure has been assigned a PDF number (calculated
            powder diffraction data): 01-080-0007
            The structure has been assigned a PDF number (experimental
            powder diffraction data): 5-566
            Structure calculated theoretically
            Structure type : ZnS(2H)
            X-ray diffraction from single crystal
            No R value given in the paper.
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Zn   1  +2    2 b   0.3333      0.6667      0              1.         0   
S    2  -2    2 b   0.3333      0.6667      0.375          1.         0   
*end for    ICSD #67777

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ÒýÓûØÌû:
Originally posted by zzy870720z at 2011-04-13 08:55:09:
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[code]
*data for   ICSD #67777
Coll Code   67777
Rec  Date   1994/06/30
Mod  Date   2003/04/01
Chem Name   Zinc Sulfide
Structured  ...

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