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Title: Materials Data on LiTiS2 by Materials Project

Abstract

LiTiS2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with six equivalent TiS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent TiS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Li–S bond lengths are 2.54 Å. Ti3+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with six equivalent LiS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent TiS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ti–S bond lengths are 2.49 Å. S2- is bonded to three equivalent Li1+ and three equivalent Ti3+ atoms to form a mixture of corner and edge-sharing SLi3Ti3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-755414
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiTiS2; Li-S-Ti
OSTI Identifier:
1289981
DOI:
10.17188/1289981

Citation Formats

The Materials Project. Materials Data on LiTiS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289981.
The Materials Project. Materials Data on LiTiS2 by Materials Project. United States. doi:10.17188/1289981.
The Materials Project. 2020. "Materials Data on LiTiS2 by Materials Project". United States. doi:10.17188/1289981. https://www.osti.gov/servlets/purl/1289981. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289981,
title = {Materials Data on LiTiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTiS2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with six equivalent TiS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent TiS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Li–S bond lengths are 2.54 Å. Ti3+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with six equivalent LiS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent TiS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ti–S bond lengths are 2.49 Å. S2- is bonded to three equivalent Li1+ and three equivalent Ti3+ atoms to form a mixture of corner and edge-sharing SLi3Ti3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1289981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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