Structure-property relationships in lithium superionic conductors having a Li10GeP2S12-type structure

The crystal structures of the superionic conductors Li9.81Sn0.81P2.19S12 and Li10.35Si1.35P1.65S12, both having a Li10GeP2S12 (LGPS)-type structure, were determined by neutron diffraction analysis over the temperature range 12-800 K. The maximum entropy method was also employed to clarify the lithiu...

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Published inActa crystallographica Section B, Structural science, crystal engineering and materials Vol. 71; no. Pt 6; p. 727
Main Authors Hori, Satoshi, Taminato, Sou, Suzuki, Kota, Hirayama, Masaaki, Kato, Yuki, Kanno, Ryoji
Format Journal Article
LanguageEnglish
Published England Blackwell Publishing Ltd 01.12.2015
Subjects
Chemical compounds
Conduction
Crystal structure
Crystallography
Diffraction
High temperature
Lithium
Maximum entropy
solid state battery
superionic conductor
lithium battery
MEM analysis
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ISSN2052-5192
2052-5206
DOI10.1107/S2052520615022283

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Summary:The crystal structures of the superionic conductors Li9.81Sn0.81P2.19S12 and Li10.35Si1.35P1.65S12, both having a Li10GeP2S12 (LGPS)-type structure, were determined by neutron diffraction analysis over the temperature range 12-800 K. The maximum entropy method was also employed to clarify the lithium distribution in these materials. The Sn system showed one-dimensional diffusion in the c direction over a wide temperature range, even though the Ge-based system typically exhibits three-dimensional conduction at higher temperatures. The ionic conduction mechanisms of analogous Si, Ge and Sn phases with LGPS-type structures are discussed on the basis of the observed structural parameter changes.
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ISSN:2052-5192
2052-5206
DOI:10.1107/S2052520615022283