Cation ordering in A-site-deficient Li-ion conducting perovskites La(1-x)/3LixNbO3

Xiang Gao, Craig A.J. Fisher, Yumi H. Ikuhara, Yasuyuki Fujiwara, Shunsuke Kobayashi, Hiroki Moriwake, Akihide Kuwabara, Keigo Hoshikawa, Keiichi Kohama, Hideki Iba, Yuichi Ikuhara

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    30 Citations (Scopus)


    Cation-deficient perovskites exhibit complex local atomic arrangements which cannot be adequately described by average crystal structure models. By combining reciprocal-space electron diffraction analysis and direct observations of atom positions using state-of-the-art scanning transmission electron microscopy, we clarify the nature of the cation ordering within A-site-deficient perovskite single crystals of La(1-x)/3LixNbO3 (x = 0 and x = 0.04). Both materials are found to have complex modulated crystal structures with two types of A-cation ordering, namely a long-range layer ordering in alternate (001)p planes and a short-range (intra-domain) columnar ordering within La-rich (001)p layers. The columnar ordering (occupational modulation) produces modulated displacements of Nb and O atoms. It is also found that substitution of even a small amount of Li for La can affect significantly the columnar ordering, leading to a series of structural and microstructural changes that are likely to have a deleterious effect on the Li-ion conductivity of this material.

    Original languageEnglish
    Pages (from-to)3351-3359
    Number of pages9
    JournalJournal of Materials Chemistry A
    Issue number7
    Publication statusPublished - 2015 Feb 21

    ASJC Scopus subject areas

    • Chemistry(all)
    • Renewable Energy, Sustainability and the Environment
    • Materials Science(all)


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