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Title: Materials Data on V2O3 by Materials Project

Abstract

V2O3 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two V2O3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.79–1.87 Å. In the second V3+ site, V3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.77–1.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V3+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two V3+ atoms.

Publication Date:
Other Number(s):
mp-553955
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; V2O3; O-V
OSTI Identifier:
1267656
DOI:
10.17188/1267656

Citation Formats

The Materials Project. Materials Data on V2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267656.
The Materials Project. Materials Data on V2O3 by Materials Project. United States. doi:10.17188/1267656.
The Materials Project. 2020. "Materials Data on V2O3 by Materials Project". United States. doi:10.17188/1267656. https://www.osti.gov/servlets/purl/1267656. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267656,
title = {Materials Data on V2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {V2O3 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two V2O3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.79–1.87 Å. In the second V3+ site, V3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.77–1.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V3+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two V3+ atoms.},
doi = {10.17188/1267656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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