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wb19880125

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[求助] 急求镧钴钙钛矿CIF文件

急求镧钴钙钛矿LaCoO3(rhombohedral)的CIF文件,希望大家能帮忙传一份。
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bible2

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【答案】应助回帖

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wb19880125: 金币+10, ★有帮助 2013-05-05 19:07:18
*data for   ICSD #156452
Coll Code   156452
Rec  Date   2007/08/01
Chem Name   Lanthanum Cobaltate(III)
Structured  La (Co O3)
Sum         Co1 La1 O3
ANX         ABX3
D(calc)     7.29
Title       Study of La1-x Srx Co O3 (x = 0.0 - 0.5) by X-ray absorption
            spectroscopy and high-resolution neutron diffraction methods
Author(s)   Efimov, V.V.;Efimova, E.A.;Kochubei, D.I.;Kriventsov, V.V.;Kuz'min,
            A.;Sikolenko, V.V.;Simkin, V.G.;Troyanchuk, I.O.;Tiutiunnikov, S.I.
Reference   Poverkhnostnye Fizika, Khimiya, Mekhanika
            (2006), 2006(6), 23-29
Unit Cell   5.3773(2) 5.3773(2) 5.3773(2) 60.811(2) 60.811(2) 60.811(2)
Vol         111.96
Z           2
Space Group R -3 c R
SG Number   167
Cryst Sys   trigonal/rhombohedral
Pearson     hR10
Wyckoff     e b a
R Value     .1056
Red Cell    RR 5.377 5.377 5.377 60.811 60.811 60.811 111.957
Trans Red   1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments    y(O) slightly corrected from 0.301 for consistency with 6e
            position.
            Neutron diffraction (powder)
            Rietveld profile refinement applied
            Structure type : NdAlO3
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Co   1  +3    2 b   0.          0.          0.             1.         0   
La   1  +3    2 a   0.250       0.250       0.250          1.         0   
O    1  -2    6 e   0.198(2)    0.302(2)    0.750          1.         0   
*end for    ICSD #156452
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