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Intricate Short-Range Ordering and Strongly Anisotropic Transport Properties of Li1-xSn2+xAs2

Abstract : A new ternary compound, Li1-xSn2+xAs2, 0.2 < x < 0.4, was synthesized via solid-state reaction of elements. The compound crystallizes in a layered structure in the R3¯m space group (No. 166) with Sn-As layers separated by layers of jointly occupied Li/Sn atoms. The Sn-As layers are comprised of Sn3As3 puckered hexagons in a chair conformation that share all edges. Li/Sn atoms in the interlayer space are surrounded by a regular As6 octahedron. Thorough investigation by synchrotron X-ray and neutron powder diffraction indicate no long-range Li/Sn ordering. In contrast, the local Li/Sn ordering was revealed by synergistic investigations via solid-state 6,7Li NMR spectroscopy, HRTEM, STEM, and neutron and X-ray pair distribution function analyses. Due to their different chemical natures, Li and Sn atoms tend to segregate into Li-rich and Sn-rich regions, creating substantial inhomogeneity on the nanoscale. The inhomogeneous local structure has a high impact on the physical properties of the synthesized compounds the local Li/Sn ordering and multiple nanoscale interfaces result in unexpectedly low thermal conductivity and highly anisotropic resistivity in Li1-xSn2+xAs2. (Graph Presented). © 2015 American Chemical Society.
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Submitted on : Monday, July 15, 2019 - 6:06:38 PM
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K. Lee, D. Kaseman, S. Sen, I. Hung, Z. Gan, et al.. Intricate Short-Range Ordering and Strongly Anisotropic Transport Properties of Li1-xSn2+xAs2. Journal of the American Chemical Society, American Chemical Society, 2015, 137 (10), pp.3622-3630. ⟨10.1021/jacs.5b00237⟩. ⟨hal-02184172⟩



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