DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on VO2 by Materials Project

Abstract

VO2 is trigonal omega-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.91–2.01 Å. In the second V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.94–2.01 Å. In the third V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.95–1.99 Å. In the fourth V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.93–2.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. Inmore » the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-11624
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:
1318268
DOI:
https://doi.org/10.17188/1318268

Citation Formats

The Materials Project. Materials Data on VO2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1318268.
The Materials Project. Materials Data on VO2 by Materials Project. United States. doi:https://doi.org/10.17188/1318268
The Materials Project. 2014. "Materials Data on VO2 by Materials Project". United States. doi:https://doi.org/10.17188/1318268. https://www.osti.gov/servlets/purl/1318268. Pub date:Wed Feb 12 00:00:00 EST 2014
@article{osti_1318268,
title = {Materials Data on VO2 by Materials Project},
author = {The Materials Project},
abstractNote = {VO2 is trigonal omega-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.91–2.01 Å. In the second V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.94–2.01 Å. In the third V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.95–1.99 Å. In the fourth V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.93–2.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V4+ atoms.},
doi = {10.17188/1318268},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}