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Title: Materials Data on Li2V2S5 by Materials Project

Abstract

Li2V2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Li–S bond distances ranging from 2.50–2.83 Å. V4+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing VS5 trigonal bipyramids. There are a spread of V–S bond distances ranging from 2.18–2.46 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V4+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V4+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to two equivalent Li1+ and two equivalent V4+ atoms.

Publication Date:
Other Number(s):
mp-756394
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; Li2V2S5; Li-S-V
OSTI Identifier:
1290497
DOI:
https://doi.org/10.17188/1290497

Citation Formats

The Materials Project. Materials Data on Li2V2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290497.
The Materials Project. Materials Data on Li2V2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1290497
The Materials Project. 2020. "Materials Data on Li2V2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1290497. https://www.osti.gov/servlets/purl/1290497. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290497,
title = {Materials Data on Li2V2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2V2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Li–S bond distances ranging from 2.50–2.83 Å. V4+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing VS5 trigonal bipyramids. There are a spread of V–S bond distances ranging from 2.18–2.46 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V4+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V4+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to two equivalent Li1+ and two equivalent V4+ atoms.},
doi = {10.17188/1290497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}