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Title: Materials Data on V2O3 by Materials Project

Abstract

V2O3 is Corundum structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.99–2.14 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.98–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the third O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-715514
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:
1287055
DOI:
10.17188/1287055

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on V2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287055.
Persson, Kristin, & Project, Materials. Materials Data on V2O3 by Materials Project. United States. doi:10.17188/1287055.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on V2O3 by Materials Project". United States. doi:10.17188/1287055. https://www.osti.gov/servlets/purl/1287055. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287055,
title = {Materials Data on V2O3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {V2O3 is Corundum structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.99–2.14 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.98–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the third O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids.},
doi = {10.17188/1287055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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