期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 119, 期 5, 页码 2356-2363出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp511648b
关键词
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资金
- Japan Society for the Promotion of Science [22750181, 26288104]
- Iketani Science and Technology Foundation
- Grants-in-Aid for Scientific Research [26288104, 22750181, 24510154] Funding Source: KAKEN
Crystal structure of double-perovskite type BaYMn2O5+delta was studied by high-temperature synchrotron X-ray diffraction (SXRD) under precisely controlled oxygen pressure to gain deeper understanding of the remarkable oxygen intake/release capability of this oxide. The in situ SXRD analysis at 750 degrees C revealed that this oxide undergoes a distinct structural change upon lowering oxygen pressure, from a slightly oxygen-deficient delta = 1 phase (BaYMn2O5.89; P(O-2) = 10(3) Pa) to an oxygen-vacancy ordered delta = 0.5 phase (BaYMn2O5.51; P(O-2) = 10 Pa). The BaYMn2O5.89 structure (orthorhombic Cmmm) involves statistical distribution of oxygen vacancies within the yttrium plane. Meanwhile, the BaYMn2O5.51 structure (orthorhombic Icma) contains arrays of pyramidal MnO5 and octahedral MnO6 forming an alternate ordering, which is stabilized by a particular Mn3+ orbital ordering with collective displacements of Y3+ arrays. Thus, the discontinuous change in the oxygen content can be attributed to the structural reconstruction with oxygen/vacancy redistribution accompanied by yttrium displacement organization.
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