Nonstoichiometry in strontium uranium oxide: understanding the rhombohedral–orthorhombic transition in SrUO4

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dc.contributor.authorMurphy, GLen_AU
dc.contributor.authorKennedy, BJen_AU
dc.contributor.authorKimpton, JAen_AU
dc.contributor.authorGu, QFen_AU
dc.contributor.authorJohannessen, Ben_AU
dc.contributor.authorBeridze, Gen_AU
dc.contributor.authorKowalski, PMen_AU
dc.contributor.authorBosbach, Den_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorZhang, Zen_AU
dc.date.accessioned2021-02-10T23:07:30Zen_AU
dc.date.available2021-02-10T23:07:30Zen_AU
dc.date.issued2016-08-29en_AU
dc.date.statistics2021-01-18en_AU
dc.description.abstractIn situ neutron and synchrotron X-ray diffraction studies demonstrate that SrUO4 acts as an oxygen transfer agent, forming oxygen vacancies under both oxidizing and reducing conditions. Two polymorphs of SrUO4 are stable at room temperature, and the transformation between these is observed to be associated with thermally regulated diffusion of oxygen ions, with partial reduction of the U6+ playing a role in both the formation of oxygen deficient α-SrUO4−δ and its subsequent transformation to stoichiometric β-SrUO4. This is supported by ab initio calculations using density functional theory calculations. The oxygen vacancies play a critical role in the first order transition that SrUO4 undergoes near 830 °C. The changes in the oxidation states and U geometry associated with the structural phase transition have been characterized using X-ray absorption spectroscopy, synchrotron X-ray diffraction, and neutron diffraction. © 2016 American Chemical Societyen_AU
dc.identifier.citationMurphy, G. L., Kennedy, B. J., Kimpton, J. A., Gu, Q., Johannessen, B., Beridze, G., Kowalski, P. M., Bosbach, D., Avdeev, M., & Zhang, Z. (2016). Nonstoichiometry in strontium uranium oxide: understanding the rhombohedral–orthorhombic transition in SrUO4. Inorganic Chemistry, 55(18), 9329–9334. doi:10.1021/acs.inorgchem.6b01391en_AU
dc.identifier.issn1520-510Xen_AU
dc.identifier.issue18en_AU
dc.identifier.journaltitleInorganic Chemistryen_AU
dc.identifier.pagination9329-9334en_AU
dc.identifier.urihttps://doi.org/10.1021/acs.inorgchem.6b01391en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10360en_AU
dc.identifier.volume55en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectPhase transformationsen_AU
dc.subjectOxygenen_AU
dc.subjectCrystal defectsen_AU
dc.subjectEnergyen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectNeutron diffractionen_AU
dc.titleNonstoichiometry in strontium uranium oxide: understanding the rhombohedral–orthorhombic transition in SrUO4en_AU
dc.typeJournal Articleen_AU
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