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小木虫(金币+0.5):给个红包，谢谢回帖交流
nash603(金币+1):谢谢回贴交流！ 2010-09-07 12:29:00
*data for ICSD #38132
Coll Code 38132
Rec Date 1980/01/01
Mod Date 1988/05/17
Chem Name Titanium Oxide Fluoride
Structured Ti O F2
Sum F2 O1 Ti1
ANX AX3
D(calc) 3.09
Title The structure of titanium oxydifluoride
Author(s) Vorres, K.;Donohue, J.
Reference Acta Crystallographica (1,1948-23,1967)
(1955), 8, 25-26
Unit Cell 3.798(5) 3.798 3.798 90. 90. 90.
Vol 54.79
Z 1
Space Group P m -3 m
SG Number 221
Cryst Sys cubic
Pearson cP4
Wyckoff d a
Red Cell P 3.798 3.798 3.798 90 90 90 54.785
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-077-0132
Structure type : ReO3
X-ray diffraction (powder)
Unusual difference between calculated and measured density
No R value given in the paper.
Atom # OX SITE x y z SOF H ITF(B)
Ti 1 +4 1 a 0 0 0 1. 0 1.43
O 1 -2 3 d 0 0 0.5 0.33 0 1.43
F 1 -1 3 d 0 0 0.5 0.67 0 1.43
*end for ICSD #38132 |
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