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

Ryota Inoue; Kotaro Fujii; Masahiro Shiraiwa; Eiki Niwa; Masatomo Yashima

doi:10.1039/c8dt01024b

A new structure family of oxide-ion conductors Ca_0.8Y_2.4Sn_0.8O₆ discovered by a combined technique of the bond-valence method and experiments

Ryota Inoue, Kotaro Fujii, Masahiro Shiraiwa, Eiki Niwa, Masatomo Yashima

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

Mg₃TeO₆-type Ca_0.8Y_2.4Sn_0.8O₆ 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 Ca_0.8Y_2.4Sn_0.8O₆ was found to have a low energy barrier for oxide-ion migration. Ca_0.8Y_2.4Sn_0.8O₆ was synthesized by the solid-state reaction, and its electrical conductivity and crystal structure were investigated. The total electrical conductivity at various partial oxygen pressures and band gap estimated from the UV-vis spectrum suggested that Ca_0.8Y_2.4Sn_0.8O₆ is a pure oxide-ion conductor. The activation energy for the oxide-ion conductivity of Ca_0.8Y_2.4Sn_0.8O₆ was 1.39(4) eV. Synchrotron X-ray powder diffraction data of Ca_0.8Y_2.4Sn_0.8O₆ at 300 and 1273 K were successfully analyzed with the Mg₃TeO₆-type structure. The BVE calculation using the refined crystal structure of Ca_0.8Y_2.4Sn_0.8O₆ at 1273 K strongly suggested three dimensional oxide-ion diffusion.

Original language	English
Pages (from-to)	7515-7521
Number of pages	7
Journal	Dalton Transactions
Volume	47
Issue number	22
DOIs	https://doi.org/10.1039/c8dt01024b
Publication status	Published - 2018
Externally published	Yes

All Science Journal Classification (ASJC) codes

Inorganic Chemistry

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10.1039/c8dt01024b

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@article{3a1bcdc04e3c4ef9acefc358a3612417,

title = "A new structure family of oxide-ion conductors 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 migration. 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 pressures and band gap estimated from the UV-vis spectrum suggested that Ca0.8Y2.4Sn0.8O6 is a pure oxide-ion conductor. The activation energy for the 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.",

author = "Ryota Inoue and Kotaro Fujii and Masahiro Shiraiwa and Eiki Niwa and Masatomo Yashima",

note = "Funding Information: We thank Daiichi-Kigenso-Kagaku-Kogyo Co. Ltd for the ICP-OES measurements. This study was partly supported by a Grant-in-Aid for Scientific Research (KAKENHI, No. JP15H02291, JP26870190, JP16H00884, JP16H06293, JP16H06440, JP16H06438, JP16K21724, JP17K17717, JP17H06222) from the Ministry of Education, Culture, Sports, Science and Technology of Japan, and the JSPS Core-to-Core Program, A. Advanced Research Networks (Solid Oxide Interfaces for Faster Ion Transport). The synchrotron experiments were carried out at PF (2014G508, 2015G047, 2016G644, 2017G168). Publisher Copyright: {\textcopyright} 2018 The Royal Society of Chemistry.",

year = "2018",

doi = "10.1039/c8dt01024b",

language = "English",

volume = "47",

pages = "7515--7521",

journal = "Dalton Transactions",

issn = "1477-9226",

publisher = "Royal Society of Chemistry",

number = "22",

}

TY - JOUR

T1 - A new structure family of oxide-ion conductors Ca0.8Y2.4Sn0.8O6 discovered by a combined technique of the bond-valence method and experiments

AU - Inoue, Ryota

AU - Fujii, Kotaro

AU - Shiraiwa, Masahiro

AU - Niwa, Eiki

AU - Yashima, Masatomo

N1 - Funding Information: We thank Daiichi-Kigenso-Kagaku-Kogyo Co. Ltd for the ICP-OES measurements. This study was partly supported by a Grant-in-Aid for Scientific Research (KAKENHI, No. JP15H02291, JP26870190, JP16H00884, JP16H06293, JP16H06440, JP16H06438, JP16K21724, JP17K17717, JP17H06222) from the Ministry of Education, Culture, Sports, Science and Technology of Japan, and the JSPS Core-to-Core Program, A. Advanced Research Networks (Solid Oxide Interfaces for Faster Ion Transport). The synchrotron experiments were carried out at PF (2014G508, 2015G047, 2016G644, 2017G168). Publisher Copyright: © 2018 The Royal Society of Chemistry.

PY - 2018

Y1 - 2018

N2 - 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 migration. 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 pressures and band gap estimated from the UV-vis spectrum suggested that Ca0.8Y2.4Sn0.8O6 is a pure oxide-ion conductor. The activation energy for the 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.

AB - 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 migration. 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 pressures and band gap estimated from the UV-vis spectrum suggested that Ca0.8Y2.4Sn0.8O6 is a pure oxide-ion conductor. The activation energy for the 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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U2 - 10.1039/c8dt01024b

DO - 10.1039/c8dt01024b

M3 - Article

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AN - SCOPUS:85048328523

SN - 1477-9226

VL - 47

SP - 7515

EP - 7521

JO - Dalton Transactions

JF - Dalton Transactions

IS - 22

ER -

A new structure family of oxide-ion conductors Ca_0.8Y_2.4Sn_0.8O₆ discovered by a combined technique of the bond-valence method and experiments

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