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csuboyle

木虫 (正式写手)

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[交流] 【求助】MgCe晶体学参数库中的Mg12Ce原子坐标

RT，求MgCe晶体学参数库中的Mg12Ce原子坐标
类似下面的格式（MgCe），其中我特别需要的是Mg12Ce
如有请发到我邮箱li@imm.rwth-aachen.de
当然我也会如期送上金币，以示感谢。

*data for ICSD #102215
CopyRight ?009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
         Commerce on behalf of the United States.  All rights reserved.
Coll Code 102215
Rec  Date 2004/04/01
Mod  Date 2005/10/01
Chem Name Cerium Magnesium (1/1)
Structured  Ce Mg
Sum       Ce1 Mg1
ANX       NO
D(calc)    4.57
Title    Magnetic structure and crystal field in cerium compounds
Author(s) Schmitt, D.;Morin, P.;Pierre, J.
Reference Journal of Magnetism and Magnetic Materials
         (1978), 8, 249-256
         Zeitschrift fuer Metallkunde
         (1942), 34, 247-253
         Journal de Physique (Paris)
         (1985), 46, 621-626
         Golden Book of Phase Transitions, Wroclaw
         (2002), 1, 1-123
Unit Cell 3.908 3.908 3.908 90. 90. 90.
Vol       59.68
Z          1
Space Group P m -3 m
SG Number 221
Cryst Sys cubic
Pearson    cP2
Wyckoff    b a
Red Cell P  3.908 3.908 3.908 90 90 90 59.685
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments Cell from 2nd ref. (Nowotny): 3.898
         Cell from 3rd ref. (Pierre et al.): 3.90
         Cell at 100 K: 3.914
         Stable above 190 K (4th ref., Tomaszewski)
         Neutron diffraction (powder)
         The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-071-7007
         The structure has been assigned a PDF number (experimental
         powder diffraction data): 9-61
         Structure type : CsCl
         No R value given in the paper.
         At least one temperature factor missing in the paper.
Atom  # OX SITE    x          y          z          SOF    H
Ce 1  +0 1 a 0          0          0             1.       0
Mg 1  +0 1 b 0.5       0.5       0.5          1.       0
*end for ICSD #102215Sample TextSample Text

[ Last edited by csuboyle on 2009-8-11 at 15:26 ]

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