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2Â¥: Originally posted by 897614771 at 2011-12-26 21:25:54:
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*data for   ICSD #24644
Coll Code   24644
Rec  Date   1980/01/01
Mod  Date   2007/08/01
Chem Name   Boron Nitride - Lt
Structured  B N
Sum         B1 N1
ANX         AX
D(calc)     2.28
Title       An X-ray study of boron nitride
Author(s)   Pease, R.S.
Reference   Acta Crystallographica (1,1948-23,1967)
            (1952), 5, 356-361
Unit Cell   2.50399(5) 2.50399(5) 6.6612(5) 90. 90. 120.
Vol         36.17
Z           2
Space Group P 63/m m c
SG Number   194
Cryst Sys   hexagonal
Pearson     hP4
Wyckoff     d c
Red Cell    P  2.504 2.504 6.661 90 90 120 36.17
Trans Red   1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments    Given space group was P6-m2, shifted by 1/3 2/3 1/4
            The structure has been assigned a PDF number (calculated
            powder diffraction data): 01-073-2095
            The structure has been assigned a PDF number (experimental
            powder diffraction data): 45-896
            Temperature in Kelvin: 308
            Structure type : BN
            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
B    1  +3    2 c   0.3333      0.6667      0.25           1.         0   
N    1  -3    2 d   0.3333      0.6667      0.75           1.         0   
*end for    ICSD #24644
4Â¥2011-12-27 19:59:03
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5Â¥: Originally posted by zbdfwq5777 at 2011-12-27 19:59:55:
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6Â¥: Originally posted by yanglw23 at 2011-12-27 21:56:26:
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