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

Duncan H. Gregory; Mark T. Weller

doi:10.1039/JM9940400921

Neutron diffraction study of the 'doubled perovskite' phases Ba ₂M_2-xCu_xO_4+δ (M = In, Sc)

Duncan H. Gregory, Mark T. Weller

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

Abstract

Members of the series Ba₂M_2-xCu_xO _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 ABO_3-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 language	English
Pages (from-to)	921-929
Number of pages	9
Journal	Journal of Materials Chemistry
Volume	4
Issue number	6
DOIs	https://doi.org/10.1039/JM9940400921
Publication status	Published - Jan 1 1994
Externally published	Yes

All Science Journal Classification (ASJC) codes

Chemistry(all)
Materials Chemistry

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10.1039/JM9940400921

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

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.",

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N2 - 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.

AB - 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.

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