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Title: Materials Data on Nb2O5 by Materials Project

Abstract

Nb2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–57°. There are a spread of Nb–O bond distances ranging from 1.82–2.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms.

Publication Date:
Other Number(s):
mp-604
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; Nb2O5; Nb-O
OSTI Identifier:
1277373
DOI:
https://doi.org/10.17188/1277373

Citation Formats

The Materials Project. Materials Data on Nb2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277373.
The Materials Project. Materials Data on Nb2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1277373
The Materials Project. 2020. "Materials Data on Nb2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1277373. https://www.osti.gov/servlets/purl/1277373. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1277373,
title = {Materials Data on Nb2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–57°. There are a spread of Nb–O bond distances ranging from 1.82–2.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms.},
doi = {10.17188/1277373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}