Insights into the Lithium Sub-structure of Superionic Conductors Li3YCl6and Li3YBr6

Roman Schlem, Ananya Banik, Saneyuki Ohno, Emmanuelle Suard, Wolfgang G. Zeier

    Research output: Contribution to journalArticlepeer-review

    56 Citations (Scopus)


    The recent interest in halide-based solid electrolytes Li3MX6 (M = Y, Er, and In; X = Cl, Br, and I) shows these materials to be promising candidates for solid-state battery application, due to their high ionic conductivity and large electrochemical stability window. However, almost nothing is known about the underlying lithium sub-structure within those compounds. Here, we investigate the lithium sub-structure of Li3YCl6 and Li3YBr6 using temperature-dependent neutron diffraction. We compare compounds prepared by classic solid-state syntheses with mechanochemical synthesis to shed light on the influence of the synthetic approach on the reported yttrium disorder and the resulting surrounding lithium sub-structure. This work provides a better understanding of the strong differences in ionic transport depending on the synthesis procedure of Li3MX6.

    Original languageEnglish
    Pages (from-to)327-337
    Number of pages11
    JournalChemistry of Materials
    Issue number1
    Publication statusPublished - Jan 12 2021

    All Science Journal Classification (ASJC) codes

    • General Chemistry
    • General Chemical Engineering
    • Materials Chemistry


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