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Title: Materials Data on LiCoS2 by Materials Project

Abstract

LiCoS2 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with twelve equivalent CoS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent CoS6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of Li–S bond distances ranging from 2.58–2.63 Å. Co3+ is bonded to six S2- atoms to form CoS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent CoS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. All Co–S bond lengths are 2.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Co3+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Co3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-753946
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiCoS2; Co-Li-S
OSTI Identifier:
1289190
DOI:
https://doi.org/10.17188/1289190

Citation Formats

The Materials Project. Materials Data on LiCoS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289190.
The Materials Project. Materials Data on LiCoS2 by Materials Project. United States. doi:https://doi.org/10.17188/1289190
The Materials Project. 2020. "Materials Data on LiCoS2 by Materials Project". United States. doi:https://doi.org/10.17188/1289190. https://www.osti.gov/servlets/purl/1289190. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289190,
title = {Materials Data on LiCoS2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCoS2 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with twelve equivalent CoS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent CoS6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of Li–S bond distances ranging from 2.58–2.63 Å. Co3+ is bonded to six S2- atoms to form CoS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent CoS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. All Co–S bond lengths are 2.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Co3+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Co3+ atoms.},
doi = {10.17188/1289190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}