Neutron diffraction study of the 'doubled perovskite' phases Ba 2M2-xCuxO4+δ (M = In, Sc)

Duncan H. Gregory, Mark T. Weller

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Abstract

Members of the series Ba2M2-xCuxO 4+δ (M = In, x = 0.5, 1; M = Sc, x = 1) have been synthesized by solid-state reaction methods and characterised by powder neutron diffraction. Selected compositions were annealed under oxygen at 1 atm and 160 atm. The evolution of the structure with oxygen stoichiometry δ was studied. The materials form 'doubled perovskite' phases, A2BB′O 6-x crystallising in tetragonal space group P4/mmm. The structures essentially consist of two ABO3-x cubes stacked along the c axis in which the B cations are ordered on two crystallographically different sites. The divalent Ba cation is on average nine-coordinate and the trivalent M cation octahedrally coordinated to oxygen. The copper oxidation state and coordination varies with the oxygen level of the structure.

Original languageEnglish
Pages (from-to)921-929
Number of pages9
JournalJournal of Materials Chemistry
Volume4
Issue number6
DOIs
Publication statusPublished - Jan 1 1994
Externally publishedYes

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All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Chemistry

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