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【答案】应助回帖
★ ★
dlthl(金币+20): 谢谢 2011-04-22 08:42:40
youzhizhe(金币+2, 1ST强帖+1): 谢谢交流。 2011-04-22 08:57:32
*data for ICSD #15477
Coll Code 15477
Rec Date 1980/01/01
Mod Date 2007/08/01
Chem Name Zinc Sulfide
Structured Zn S
Sum S1 Zn1
ANX AX
Min Name Wurtzite 10H
D(calc) 4.09
Title New wurtzite polytypes from Joplin, Missouri
Author(s) Evans, H.T.jr.;McKnight, E.T.
Reference American Mineralogist
(1959), 44, 1210-1218
Unit Cell 3.824(4) 3.824(4) 31.20(3) 90. 90. 120.
Vol 395.11
Z 10
Space Group P 63 m c
SG Number 186
Cryst Sys hexagonal
Pearson hP20
Wyckoff b6 a4
Red Cell P 3.824 3.824 31.2 90 90 120 395.113
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments Stacking cccch, also discussed polytypes: 4H (ch), 6H
(cch), and 15 R (cchch)
Compound with mineral name: Wurtzite 10H
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-072-0162
The structure has been assigned a PDF number (experimental
powder diffraction data): 12-688
Polytype structure 10H
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 a 0 0 0 1. 0
Zn 2 +2 2 a 0 0 0.3 1. 0
Zn 3 +2 2 b 0.3333 0.6667 0.1 1. 0
Zn 4 +2 2 b 0.3333 0.6667 0.4 1. 0
Zn 5 +2 2 b 0.3333 0.6667 0.7 1. 0
S 1 -2 2 a 0 0 0.075 1. 0
S 2 -2 2 a 0 0 0.375 1. 0
S 3 -2 2 b 0.3333 0.6667 0.175 1. 0
S 4 -2 2 b 0.3333 0.6667 0.475 1. 0
S 5 -2 2 b 0.3333 0.6667 0.775 1. 0
*end for ICSD #15477 |
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