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Title: Materials Data on LiVO2 by Materials Project

Abstract

LiVO2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one LiVO2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to one V3+ and four O2- atoms. The Li–V bond length is 2.20 Å. There are a spread of Li–O bond distances ranging from 1.97–2.24 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to one V3+ and four O2- atoms. The Li–V bond length is 2.21 Å. There are a spread of Li–O bond distances ranging from 1.96–2.25 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in a 5-coordinate geometry to one Li1+ and four O2- atoms. There are a spread of V–O bond distances ranging from 1.96–2.25 Å. In the second V3+ site, V3+ is bonded in a 5-coordinate geometry to one Li1+ and four O2- atoms. There are a spread of V–O bond distances ranging from 1.96–2.25 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalentmore » V3+ atoms. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent V3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent V3+ atoms. In the fourth O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent V3+ atoms.« less

Publication Date:
Other Number(s):
mp-775331
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; LiVO2; Li-O-V
OSTI Identifier:
1303070
DOI:
https://doi.org/10.17188/1303070

Citation Formats

The Materials Project. Materials Data on LiVO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1303070.
The Materials Project. Materials Data on LiVO2 by Materials Project. United States. doi:https://doi.org/10.17188/1303070
The Materials Project. 2020. "Materials Data on LiVO2 by Materials Project". United States. doi:https://doi.org/10.17188/1303070. https://www.osti.gov/servlets/purl/1303070. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1303070,
title = {Materials Data on LiVO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVO2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one LiVO2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to one V3+ and four O2- atoms. The Li–V bond length is 2.20 Å. There are a spread of Li–O bond distances ranging from 1.97–2.24 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to one V3+ and four O2- atoms. The Li–V bond length is 2.21 Å. There are a spread of Li–O bond distances ranging from 1.96–2.25 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in a 5-coordinate geometry to one Li1+ and four O2- atoms. There are a spread of V–O bond distances ranging from 1.96–2.25 Å. In the second V3+ site, V3+ is bonded in a 5-coordinate geometry to one Li1+ and four O2- atoms. There are a spread of V–O bond distances ranging from 1.96–2.25 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent V3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent V3+ atoms. In the fourth O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent V3+ atoms.},
doi = {10.17188/1303070},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}