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A new structure family of oxide-ion conductor Ca0.8Y2.4Sn0.8O6 discovered by a combined technique of the bond-valence method and experiments

Abstract

Mg3TeO6-type Ca0.8Y2.4Sn0.8O6 has been found as a new structure family of oxide-ion conductors. From bond valence based energy (BVE) calculations for 147 compositions, which contain tin (Sn) as an essential element, Mg3TeO6-type Ca0.8Y2.4Sn0.8O6 was found to have a low energy barrier for oxide-ion conduction. Ca0.8Y2.4Sn0.8O6 was synthesized by the solid-state reaction and its electrical conductivity and crystal structure were investigated. The total electrical conductivity at various partial oxygen pressure, and band gap estimated from UV-vis spectra suggested that Ca0.8Y2.4Sn0.8O6 is a pure oxide-ion conductor. The activation energy of oxide-ion conductivity of Ca0.8Y2.4Sn0.8O6 was 1.39(4) eV. Synchrotron X-ray powder diffraction data of Ca0.8Y2.4Sn0.8O6 at 300 and 1273 K were successfully analyzed with the Mg3TeO6-type structure. The BVE calculation using the refined crystal structure of Ca0.8Y2.4Sn0.8O6 at 1273 K strongly suggested three dimensional oxide-ion diffusion.

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Publication details

The article was received on 16 Mar 2018, accepted on 21 Apr 2018 and first published on 23 Apr 2018


Article type: Paper
DOI: 10.1039/C8DT01024B
Citation: Dalton Trans., 2018, Accepted Manuscript
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    A new structure family of oxide-ion conductor Ca0.8Y2.4Sn0.8O6 discovered by a combined technique of the bond-valence method and experiments

    R. Inoue, K. Fujii, M. Shiraiwa, E. Niwa and M. Yashima, Dalton Trans., 2018, Accepted Manuscript , DOI: 10.1039/C8DT01024B

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