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求SrFeO3的CIF文件 谢谢大神！
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| 求SrFeO3的CIF文件 谢谢大神！ |
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*data for ICSD #91062 Coll Code 91062 Rec Date 2002/10/01 Chem Name Strontium Iron(IV) Oxide Structured Sr Fe O3 Sum Fe1 O3 Sr1 ANX ABX3 D(calc) 5.57 Title Evolution of oxygen-vacancy ordered crystal structures in the perovskite series Srn Fen O3n-1 (n = 2, 4, 8 and infinity), and the relationship to electronic and magnetic properties Author(s) Hodges, J.P.;Short, S.;Jorgensen, J.D.;Xiong, X.;Dabrowski, B.;Mini, S.M.;Kimball, C.W. Reference Journal of Solid State Chemistry (2000), 151, 190-209 Unit Cell 3.851(1) 3.851(1) 3.851(1) 90. 90. 90. Vol 57.11 Z 1 Space Group P m -3 m SG Number 221 Cryst Sys cubic Pearson cP5 Wyckoff d b a R Value .061 Red Cell P 3.851 3.851 3.851 90 90 90 57.111 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Neutron diffraction (powder) The structure has been assigned a PDF number (calculated powder diffraction data): 01-070-5775 Rietveld profile refinement applied Structure type : CaTiO3 Atom # OX SITE x y z SOF H ITF(U) Sr 1 +2 1 b 0.5 0.5 0.5 1. 0 0.007(1) Fe 1 +4 1 a 0 0 0 1. 0 0.004(1) O 1 -2 3 d 0 0 0.5 1. 0 0 Lbl Type U11 U22 U33 U12 U13 U23 O1 O2- 0.012(1) 0.012(1) 0.006(1) 0 0 0 *end for ICSD #91062 |
2楼2017-04-06 12:55:52