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Structural investigation of the cubic perovskite‐type doped lanthanum cobaltite La 0.6 Sr 0.4 CoO 3−δ at 1531 K: possible diffusion path of oxygen ions in an electrode material
Author(s) -
Yashima Masatomo,
Tsuji Takayuki
Publication year - 2007
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889807048637
Subject(s) - cobaltite , lanthanum , perovskite (structure) , neutron diffraction , analytical chemistry (journal) , valence (chemistry) , crystallography , ion , anisotropy , materials science , crystal structure , chemistry , inorganic chemistry , physics , organic chemistry , chromatography , quantum mechanics , metallurgy
The crystal structure of a cubic perovskite‐type doped lanthanum cobaltite, La 0.6 Sr 0.4 CoO 3−δ , has been studied using in situ neutron powder diffraction data measured at 1531 K. The refined occupancy 0.886 (6) of O atoms at the 3 d 1/2, 0, 0 site indicated an oxygen deficiency of δ = 0.34 (2) and an average valence of +2.7 for Co cations in La 0.6 Sr 0.4 CoO 3−δ at 1531 K. Refined anisotropic atomic displacement parameters and nuclear density mapping reveal that the oxygen ions in La 0.6 Sr 0.4 CoO 3−δ exhibit a large thermal motion perpendicular to the Co—O bond. A curved path for oxygen‐ion migration between adjacent anion sites in La 0.6 Sr 0.4 CoO 3−δ is proposed, although it was not observed as a connected density in the experimental mapping.