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Title: Materials Data on VO2 by Materials Project

Abstract

VO2 crystallizes in the monoclinic P2/m space group. The structure is one-dimensional and consists of one VO2 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.91 Å. In the second V4+ site, V4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (1.95 Å) V–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V4+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two V4+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-566801
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VO2; O-V
OSTI Identifier:
1273561
DOI:
https://doi.org/10.17188/1273561

Citation Formats

The Materials Project. Materials Data on VO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273561.
The Materials Project. Materials Data on VO2 by Materials Project. United States. doi:https://doi.org/10.17188/1273561
The Materials Project. 2020. "Materials Data on VO2 by Materials Project". United States. doi:https://doi.org/10.17188/1273561. https://www.osti.gov/servlets/purl/1273561. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1273561,
title = {Materials Data on VO2 by Materials Project},
author = {The Materials Project},
abstractNote = {VO2 crystallizes in the monoclinic P2/m space group. The structure is one-dimensional and consists of one VO2 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.91 Å. In the second V4+ site, V4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (1.95 Å) V–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V4+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two V4+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V4+ atom.},
doi = {10.17188/1273561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}