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.

Publication Date:
Other Number(s):
mp-777479
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; O-V; VO2
OSTI Identifier:
1305110
DOI:
https://doi.org/10.17188/1305110

Citation Formats

Materials Data on VO2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1305110.
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Materials Data on VO2 by Materials Project. United States. doi:https://doi.org/10.17188/1305110
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2017. "Materials Data on VO2 by Materials Project". United States. doi:https://doi.org/10.17188/1305110. https://www.osti.gov/servlets/purl/1305110. Pub date:Sun Jul 23 20:00:00 EDT 2017
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@article{osti_1305110,
title = {Materials Data on VO2 by Materials Project},
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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DOI: https://doi.org/10.17188/1305110
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