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

R J Goff, J P Attfield, Paul Attfield

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Abstract

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.

Original languageEnglish
Pages (from-to)1369-1374
Number of pages6
JournalJournal of Solid State Chemistry
Volume179
Issue number5
DOIs
Publication statusPublished - May 2006

Keywords

  • charge order
  • orbital order
  • manganite perovskites
  • X-ray diffraction
  • neutron diffraction
  • ROOM-TEMPERATURE
  • COLOSSAL MAGNETORESISTANCE
  • PEROVSKITE
  • MANGANITES
  • BI0.5SR0.5MNO3
  • BI1-XSRXMNO3
  • STRIPES
  • BIMNO3
  • CA

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