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Title: Ca{sub 2}Cr{sub 0.5}Ga{sub 1.5}O{sub 5}—An extremely redox-stable brownmillerite phase

Investigation of the Ca{sub 2}Cr{sub x}Ga{sub 2−x}O{sub 5} compositional series reveals a maximum chromium solubility of 25%. The most chromium rich composition, Ca{sub 2}Cr{sub 0.5}Ga{sub 1.5}O{sub 5}, adopts a brownmillerite-type anion deficient perovskite structure described in space group Pnma (a=5.368 Å, b=14.547 Å, c=5.593 Å). Neutron powder diffraction data reveals rigorous B-site cation order, with all of the tetrahedral coordination sites occupied exclusively by gallium and the octahedral coordination sites occupied by gallium or chromium. Annealing studies reveals Ca{sub 2}Cr{sub 0.5}Ga{sub 1.5}O{sub 5} is stable in both oxidizing (100% O{sub 2}) and reducing (5% H{sub 2} in N{sub 2}) conditions up to 800 °C, suggesting it could find application as a stable host lattice for fuel cell electrodes or electrolytes with suitable doping to enhance catalytic behaviour and/or anionic conductivity. - Graphical abstract: Ca{sub 2}Cr{sub 0.5}Ga{sub 1.5}O{sub 5}, adopts a brownmillerite-type anion deficient perovskite structure yet it is stable in both oxidizing (100% O{sub 2}) and reducing (5% H{sub 2} in N{sub 2}) conditions up to 800 °C. - Highlights: • Anion deficient oxide stable to both oxidation and reduction up to 800 °C. • Cation-ordered brownmillerite structure determined by powder neutron diffraction. • Low solubility of Cr{sup 3+} inmore » framework due to spherical d{sup 3} electron configuration.« less
Authors:
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Publication Date:
OSTI Identifier:
22443542
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 222; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANIONS; ANNEALING; CATIONS; CHROMIUM; CHROMIUM IONS; ELECTRODES; ELECTROLYTES; ELECTRONS; GALLIUM; MAGNETISM; NEUTRON DIFFRACTION; ORTHORHOMBIC LATTICES; OXIDATION; OXIDES; PEROVSKITE; POWDERS; SOLUBILITY; SPACE GROUPS