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Title: Materials Data on LiVS2 by Materials Project

Abstract

LiVS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with twelve equivalent VS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–S bond lengths are 2.59 Å. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent VS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All V–S bond lengths are 2.44 Å. S2- is bonded to three equivalent Li1+ and three equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing SLi3V3 pentagonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-7543
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; LiVS2; Li-S-V
OSTI Identifier:
1289331
DOI:
https://doi.org/10.17188/1289331

Citation Formats

The Materials Project. Materials Data on LiVS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289331.
The Materials Project. Materials Data on LiVS2 by Materials Project. United States. doi:https://doi.org/10.17188/1289331
The Materials Project. 2020. "Materials Data on LiVS2 by Materials Project". United States. doi:https://doi.org/10.17188/1289331. https://www.osti.gov/servlets/purl/1289331. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1289331,
title = {Materials Data on LiVS2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with twelve equivalent VS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–S bond lengths are 2.59 Å. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent VS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All V–S bond lengths are 2.44 Å. S2- is bonded to three equivalent Li1+ and three equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing SLi3V3 pentagonal pyramids.},
doi = {10.17188/1289331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}