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Title: Materials Data on NbO2 by Materials Project

Abstract

NbO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Nb4+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing NbO7 pentagonal bipyramids. There are a spread of Nb–O bond distances ranging from 2.05–2.22 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 Nb4+ atoms. In the second O2- site, O2- is bonded to four equivalent Nb4+ atoms to form a mixture of distorted corner and edge-sharing ONb4 tetrahedra.

Publication Date:
Other Number(s):
mp-776975
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; NbO2; Nb-O
OSTI Identifier:
1304583
DOI:
10.17188/1304583

Citation Formats

The Materials Project. Materials Data on NbO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304583.
The Materials Project. Materials Data on NbO2 by Materials Project. United States. doi:10.17188/1304583.
The Materials Project. 2020. "Materials Data on NbO2 by Materials Project". United States. doi:10.17188/1304583. https://www.osti.gov/servlets/purl/1304583. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1304583,
title = {Materials Data on NbO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Nb4+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing NbO7 pentagonal bipyramids. There are a spread of Nb–O bond distances ranging from 2.05–2.22 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 Nb4+ atoms. In the second O2- site, O2- is bonded to four equivalent Nb4+ atoms to form a mixture of distorted corner and edge-sharing ONb4 tetrahedra.},
doi = {10.17188/1304583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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