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Title: Materials Data on Li2(VS2)3 by Materials Project

Abstract

Li2(VS2)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Li1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Li–S bond lengths are 2.29 Å. V+3.33+ is bonded to six S2- atoms to form distorted edge-sharing VS6 pentagonal pyramids. There are two shorter (2.35 Å) and four longer (2.37 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V+3.33+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent V+3.33+ atoms.

Publication Date:
Other Number(s):
mp-756195
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; Li2(VS2)3; Li-S-V
OSTI Identifier:
1290440
DOI:
https://doi.org/10.17188/1290440

Citation Formats

The Materials Project. Materials Data on Li2(VS2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290440.
The Materials Project. Materials Data on Li2(VS2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1290440
The Materials Project. 2020. "Materials Data on Li2(VS2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1290440. https://www.osti.gov/servlets/purl/1290440. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290440,
title = {Materials Data on Li2(VS2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2(VS2)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Li1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Li–S bond lengths are 2.29 Å. V+3.33+ is bonded to six S2- atoms to form distorted edge-sharing VS6 pentagonal pyramids. There are two shorter (2.35 Å) and four longer (2.37 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V+3.33+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent V+3.33+ atoms.},
doi = {10.17188/1290440},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}