Crystal structure of Li7P3S11 studied by neutron and synchrotron X-ray powder diffraction

Yohei Onodera; Kazuhiro Mori; Toshiya Otomo; Alex C. Hannon; Shinji Kohara; Keiji Itoh; Masaaki Sugiyama; Toshiharu Fukunaga

doi:10.1143/JPSJS.79SA.87

Crystal structure of Li₇P₃S₁₁ studied by neutron and synchrotron X-ray powder diffraction

Yohei Onodera, Kazuhiro Mori, Toshiya Otomo, Alex C. Hannon, Shinji Kohara, Keiji Itoh, Masaaki Sugiyama, Toshiharu Fukunaga

Research output: Contribution to journal › Article

21 Citations (Scopus)

Abstract

Time-of-flight neutron powder diffraction (TOF-NPD) and synchrotron X-ray powder diffraction (SXPD) experiments were carried out to study the crystal structure of ⁷Li isotope enriched ⁷Li₇P ₃S₁₁ glass ceramics, which is a lithium superionic conductor. Combined X-ray/neutron Rietveld refinement informed us precise atomic coordinates, especially lithium. Furthermore, a network of neighboring Li ⁺ cations was visualized in the crystal structure of Li ₇P₃S₁₁ with the triclinic system (space group: P1̄) in order to predict the diffusion pathway of Li⁺ cations.

Original language	English
Pages (from-to)	87-89
Number of pages	3
Journal	journal of the physical society of japan
Volume	79
Issue number	SUPPL. A
DOIs	https://doi.org/10.1143/JPSJS.79SA.87
Publication status	Published - Jan 1 2010
Externally published	Yes

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Keywords

LiPS
Lithium ion conductor
Neutron powder diffraction
Rietveld analysis

ASJC Scopus subject areas

Physics and Astronomy(all)

Cite this

Onodera, Y., Mori, K., Otomo, T., Hannon, A. C., Kohara, S., Itoh, K., Sugiyama, M., & Fukunaga, T. (2010). Crystal structure of Li₇P₃S₁₁ studied by neutron and synchrotron X-ray powder diffraction. journal of the physical society of japan, 79(SUPPL. A), 87-89. https://doi.org/10.1143/JPSJS.79SA.87

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title = "Crystal structure of Li7P3S11 studied by neutron and synchrotron X-ray powder diffraction",

abstract = "Time-of-flight neutron powder diffraction (TOF-NPD) and synchrotron X-ray powder diffraction (SXPD) experiments were carried out to study the crystal structure of 7Li isotope enriched 7Li7P 3S11 glass ceramics, which is a lithium superionic conductor. Combined X-ray/neutron Rietveld refinement informed us precise atomic coordinates, especially lithium. Furthermore, a network of neighboring Li + cations was visualized in the crystal structure of Li 7P3S11 with the triclinic system (space group: P{\=1}) in order to predict the diffusion pathway of Li+ cations.",

keywords = "LiPS, Lithium ion conductor, Neutron powder diffraction, Rietveld analysis",

author = "Yohei Onodera and Kazuhiro Mori and Toshiya Otomo and Hannon, {Alex C.} and Shinji Kohara and Keiji Itoh and Masaaki Sugiyama and Toshiharu Fukunaga",

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AU - Onodera, Yohei

AU - Mori, Kazuhiro

AU - Otomo, Toshiya

AU - Hannon, Alex C.

AU - Kohara, Shinji

AU - Itoh, Keiji

AU - Sugiyama, Masaaki

AU - Fukunaga, Toshiharu

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N2 - Time-of-flight neutron powder diffraction (TOF-NPD) and synchrotron X-ray powder diffraction (SXPD) experiments were carried out to study the crystal structure of 7Li isotope enriched 7Li7P 3S11 glass ceramics, which is a lithium superionic conductor. Combined X-ray/neutron Rietveld refinement informed us precise atomic coordinates, especially lithium. Furthermore, a network of neighboring Li + cations was visualized in the crystal structure of Li 7P3S11 with the triclinic system (space group: P1̄) in order to predict the diffusion pathway of Li+ cations.

AB - Time-of-flight neutron powder diffraction (TOF-NPD) and synchrotron X-ray powder diffraction (SXPD) experiments were carried out to study the crystal structure of 7Li isotope enriched 7Li7P 3S11 glass ceramics, which is a lithium superionic conductor. Combined X-ray/neutron Rietveld refinement informed us precise atomic coordinates, especially lithium. Furthermore, a network of neighboring Li + cations was visualized in the crystal structure of Li 7P3S11 with the triclinic system (space group: P1̄) in order to predict the diffusion pathway of Li+ cations.

KW - LiPS

KW - Lithium ion conductor

KW - Neutron powder diffraction

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10.1143/JPSJS.79SA.87