Comprehensive understanding of the crystal structure of perovskite-type Ba3Y4O9 with Zr substitution: a theoretical and experimental study

Author:

Ueno Katsuhiro1ORCID,Hashimoto Atsunori1,Toyoura Kazuaki1ORCID,Hatada Naoyuki1ORCID,Sato Shigeo2ORCID,Uda Tetsuya1ORCID

Affiliation:

1. Department of Materials Science and Engineering, Kyoto University, Yoshida Honmachi, Sakyo-ku, Kyoto, 606-8501, Japan

2. Graduate School of Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi, Ibaraki, 316-8511, Japan

Abstract

Crystal structure of Ba3Y4O9 consists of periodical stacking of BaO3 and Y layers, and the cationic lattice is like a body-centered cubic structure. Zr tends to substitute for Y in cubic-perovskite-like regions and changes the stacking period.

Funder

IHI

Publisher

Royal Society of Chemistry (RSC)

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