Please use this identifier to cite or link to this item: https://apo.ansto.gov.au/dspace/handle/10238/11081
Title: The role of π-bonding on the high temperature structures in the uranium double perovskites Ba2CaUO6 and BaSrCaUO6
Authors: Reynolds, EM
Thorogood, GJ
Avdeev, M
Brand, HEA
Gu, QF
Kennedy, BJ
Keywords: Temperature range 0400-1000 K
Uranium
Perovskites
X-ray diffraction
Neutron diffraction
Oxides
Issue Date: 12-Aug-2015
Publisher: Royal Society of Chemistry
Citation: Reynolds, E., Thorogood, G. J., Avdeev, M., Brand, H. E. A., Gu, Q., & Kennedy, B. J. (2015). The role of π-bonding on the high temperature structures in the uranium double perovskites Ba2CaUO6 and BaSrCaUO6. Dalton Transactions, 44(36), 16036-16044. doi:10.1039/C5DT02663F
Abstract: The high temperature structural behaviour of the uranium perovskites Ba2CaUO6 and BaSrCaUO6 has been investigated using a combination of synchrotron X-ray and neutron powder diffraction. Ba2CaUO6 undergoes a complex sequence of structures associated with the progressive loss of cooperative octahedral tilting: P21/n → I2/m → I2/m → I4/m → Fm[3 with combining macron]m. The observation of the intermediate tetragonal structure, I4/m, in this, contrasts with the previously reported rhombohedral R[3 with combining macron] intermediate formed by the Ba2SrUO6 oxide. The importance of π-bonding in determining the structural sequence is discussed. © The Royal Society of Chemistry 2015
URI: https://doi.org/10.1039/C5DT02663F
https://apo.ansto.gov.au/dspace/handle/10238/11081
ISSN: 1477-9234
Appears in Collections:Journal Articles

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