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Title: Materials Data on VO3 by Materials Project

Abstract

VO3 crystallizes in the tetragonal P4_2/ncm space group. The structure is one-dimensional and consists of two VO3 ribbons oriented in the (0, 0, 1) direction. V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.72–2.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent V and one O atom. The O–O bond length is 1.45 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one V and one O atom. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent V atoms.

Publication Date:
Other Number(s):
mp-1208572
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; VO3; O-V
OSTI Identifier:
1759390
DOI:
https://doi.org/10.17188/1759390

Citation Formats

The Materials Project. Materials Data on VO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759390.
The Materials Project. Materials Data on VO3 by Materials Project. United States. doi:https://doi.org/10.17188/1759390
The Materials Project. 2020. "Materials Data on VO3 by Materials Project". United States. doi:https://doi.org/10.17188/1759390. https://www.osti.gov/servlets/purl/1759390. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759390,
title = {Materials Data on VO3 by Materials Project},
author = {The Materials Project},
abstractNote = {VO3 crystallizes in the tetragonal P4_2/ncm space group. The structure is one-dimensional and consists of two VO3 ribbons oriented in the (0, 0, 1) direction. V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.72–2.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent V and one O atom. The O–O bond length is 1.45 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one V and one O atom. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent V atoms.},
doi = {10.17188/1759390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}