Crystal structure and phase transitions of the lithium ionic conductor Li3PS4

被引：341

作者：

Homma, Kenji ^{[1
]}

Yonemura, Masao ^{[2
]}

Kobayashi, Takeshi ^{[1
]}

Nagao, Miki ^{[1
]}

Hirayama, Masaaki ^{[1
]}

Kanno, Ryoji ^{[1
]}

机构：

[1] Tokyo Inst Technol, Interdisciplinary Grad Sch Sci & Engn, Dept Elect Chem, Midori Ku, Yokohama, Kanagawa 2268502, Japan

[2] High Energy Accelerator Res Org KEK, Inst Mat Struct Sci, Neutron Sci Lab KENS, Tsukuba, Ibaraki 3050801, Japan

来源：

SOLID STATE IONICS | 2011年 / 182卷 / 01期

基金：

日本学术振兴会;

关键词：

Lithium ionic conductor; Lithium solid electrolyte; Thio-LISICON; Lithium phosphorus sulfide; Li3PS4; Crystal structure; THIO-LISICON; TETRAHEDRAL STRUCTURES; POWDER DIFFRACTION; SYSTEM; REFINEMENT; SULFIDES;

D O I：

10.1016/j.ssi.2010.10.001

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The crystal structures of and phase transitions in the lithium ionic conductor, Li3PS4, which is part of the thio-LISICON (Lithium Super Ionic CONductor) family, were studied using high-temperature synchrotron X-ray diffraction measurements and thermal analysis. There are three transitions among the alpha, beta and gamma-phases of this material as a function of temperature. The low-temperature gamma-phase transformed to the medium-temperature beta-phase at 573 K, which then transformed to the high-temperature alpha-phase at 746 K. The gamma-phase is iso-structural with beta-Li3PO4 (SG: Pmn2(1)) with an orthorhombic cell with a=7.70829(11), b=6.53521(10), and c=6.1365(7) angstrom at 297 K. The beta-phase has an orthorhombic cell with a=12.8190(5), b=8.2195(4), and c=6.1236(2) angstrom at 637 K. The apexes of the PS4 tetrahedron are ordered in the same direction in the gamma-phase, while in the beta-phase, they are ordered in a zig-zag arrangement. The gamma-phase showed an ionic conductivity of 3.0 x 10(-7) Scm(-1) with an activation energy of 21.3 kJ mol(-1) at room temperature. The beta-phase showed an ionic conductivity of 3.0 x 10(-2) S cm(-1) at 500 K with an activation energy of 15.5 kJ mol(-1). (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：53 / 58

页数：6

共 22 条

[1] STRUCTURE OF GAMMA-LI3ASO4 BY HIGH-TEMPERATURE POWDER NEUTRON-DIFFRACTION [J].