Combined powder neutron and X-ray diffraction study of charge and orbital order in Bi0.75Sr0.25MnO3

被引：14
作者：
Goff, R. J.
Attfield, J. P.
机构：
[1] Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland
[2] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England
来源：
JOURNAL OF SOLID STATE CHEMISTRY | 2006年 / 179卷 / 05期
关键词：
charge order; orbital order; manganite perovskites; X-ray diffraction; neutron diffraction;
D O I：
10.1016/j.jssc.2006.01.050
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The room temperature structure of Bi0.75Sr0.25MnO3 has been fitted to high-resolution synchrotron X-ray and time-of-flight neutron powder diffraction data. Constrained structural models were refined using a (1/2 00) Pn11 supercell (a = 11.0286(2) angstrom, b = 7.7351 (1) angstrom, c = 5.53419(9) angstrom, and alpha = 89.894( 1)degrees) of the underlying Pinna perovskite structure. The best-fit model evidences a 3:1 Mn3+/ Mn4+ charge ordering with only 30% of the ideal separation of bond valence sums. An ordered intergrowth of antiferro-orbitally ordered (LaMnO3 type) and charge and ferro-orbitally ordered (YBaMn2O6 type) blocks is observed. Off-centre Bi/Sr displacements are ferroelectrically ordered in this model. (C) 2006 Elsevier Inc. All rights reserved.
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页码：1369 / 1374
页数：6
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