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Title: Materials Data on VO2 by Materials Project

Abstract

VO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.71–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-777479
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; VO2; O-V
OSTI Identifier:
1305110
DOI:
10.17188/1305110

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on VO2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1305110.
Persson, Kristin, & Project, Materials. Materials Data on VO2 by Materials Project. United States. doi:10.17188/1305110.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on VO2 by Materials Project". United States. doi:10.17188/1305110. https://www.osti.gov/servlets/purl/1305110. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1305110,
title = {Materials Data on VO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {VO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.71–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms.},
doi = {10.17188/1305110},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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