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 › peer-review

23 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 - 2010
Externally published	Yes

Keywords

LiPS
Lithium ion conductor
Neutron powder diffraction
Rietveld analysis

ASJC Scopus subject areas

Physics and Astronomy(all)

Access to Document

10.1143/JPSJS.79SA.87

Cite this

Crystal structure of Li₇P₃S₁₁ studied by neutron and synchrotron X-ray powder diffraction. / Onodera, Yohei; Mori, Kazuhiro; Otomo, Toshiya; Hannon, Alex C.; Kohara, Shinji; Itoh, Keiji; Sugiyama, Masaaki; Fukunaga, Toshiharu.

In: journal of the physical society of japan, Vol. 79, No. SUPPL. A, 2010, p. 87-89.

Research output: Contribution to journal › Article › peer-review

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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",

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T1 - Crystal structure of Li7P3S11 studied by neutron and synchrotron X-ray powder diffraction

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

PY - 2010

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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.

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KW - Lithium ion conductor

KW - Neutron powder diffraction

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