Structural and spectroscopic studies of Ba{sub 2}Y{sub 1−δ}UO{sub 6+x}

Journal Article · Tue Nov 15 04:00:00 EST 2016 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2016.07.007· OSTI ID:22658075

Reynolds, Emily; Kennedy, Brendan J. ^[1]; Avdeev, Maxim; Thorogood, Gordon J.; Zhang, Zhaoming ^[2]; Brand, Helen E.A. ^[3]

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1. School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia)
2. Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia)
3. Australian Synchrotron, 800 Blackburn Rd, Clayton, Victoria 3168 (Australia)

A combination of S-XRD and NPD demonstrate the structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} to be monoclinic in space group I2/m. That the U is hexavalent is evident from the U L{sub 2}-edge XANES measurements. This appears to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects, which combine to stabilise hexavalent U and appears to be a consequence of the preparation of the sample in air. The Y vacancies, coupled with anion disorder, results in a distortion of the BO{sub 6} octahedra. - Graphical abstract: The structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} is shown to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects. - Highlights: • Structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} refined. • U L-edge XANES demonstrates the U is hexavalent. • Rare example of a perovskite containing vacancies at the octahedral B-site. • Y vacancies result in a distortion of the BO{sub 6} octahedra.

• OSTI ID: 22658075
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Vol. 243; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ABSORPTION SPECTROSCOPY
BARIUM COMPOUNDS
EXPERIMENTAL DATA
MONOCLINIC LATTICES
PEROVSKITE
SPACE GROUPS
URANIUM OXIDES
VACANCIES
X-RAY SPECTROSCOPY