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Title: Materials Data on LiV2(SO4)3 by Materials Project

Abstract

LiV2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.35 Å. V+4.50+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.06 Å) and three longer (2.10 Å) V–O bond lengths. S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 25–44°. There is two shorter (1.47 Å) and two longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V+4.50+, and one S+4.67+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.50+ and one S+4.67+ atom.

Publication Date:
Other Number(s):
mp-770367
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; LiV2(SO4)3; Li-O-S-V
OSTI Identifier:
1299730
DOI:
10.17188/1299730

Citation Formats

The Materials Project. Materials Data on LiV2(SO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299730.
The Materials Project. Materials Data on LiV2(SO4)3 by Materials Project. United States. doi:10.17188/1299730.
The Materials Project. 2020. "Materials Data on LiV2(SO4)3 by Materials Project". United States. doi:10.17188/1299730. https://www.osti.gov/servlets/purl/1299730. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1299730,
title = {Materials Data on LiV2(SO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.35 Å. V+4.50+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.06 Å) and three longer (2.10 Å) V–O bond lengths. S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 25–44°. There is two shorter (1.47 Å) and two longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V+4.50+, and one S+4.67+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.50+ and one S+4.67+ atom.},
doi = {10.17188/1299730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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