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xiaohunhun(½ð±Ò+1):xiexie 2010-05-11 23:43:52
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zzy870720z(½ð±Ò+2):¸ÐлÌṩ 2010-05-13 08:12:45
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*data for   ICSD #41483
Coll Code   41483
Rec  Date   2002/04/01
Mod  Date   2007/08/01
Chem Name   Gallium Nitride
Structured  Ga N
Sum         Ga1 N1
ANX         AX
D(calc)     6.08
Title       Electronic, optical, and structural properties of some wurtzite
            crystals
Author(s)   Xu, Y.-N.;Ching, W.Y.
Reference   Physical Review, Serie 3. B - Condensed Matter (18,1978-)
            (1993), 48, 4335-4351
            Physical Review, Serie 3. B - Condensed Matter (18,1978-)
            (1974), 10, 676-676
            Powder Diffraction
            (1995), 10, 266-268
Unit Cell   3.19 3.19 5.189 90. 90. 120.
Vol         45.73
Z           2
Space Group P 63 m c
SG Number   186
Cryst Sys   hexagonal
Pearson     hP4
Wyckoff     b2
Red Cell    P  3.19 3.19 5.189 90 90 120 45.729
Trans Red   1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments    Wurtzite-type, cf. 34476
            Cell from 3rd ref. (Balkas et al.): 3.1891, 5.1855
            The structure has been assigned a PDF number (experimental
            powder diffraction data): 2-1078
            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
Ga   1  +3    2 b   -.3333      -.6667      0              1.         0   
N    1  -3    2 b   -.3333      -.6667      0.375          1.         0   
*end for    ICSD #41483

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4Â¥: Originally posted by souledge at 2010-05-12 13:27:31
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