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Title: Materials Data on NbVO4 by Materials Project

Abstract

NbVO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with six equivalent VO6 octahedra, and an edgeedge with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Nb–O bond distances ranging from 1.94–2.13 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent NbO6 octahedra, an edgeedge with one NbO6 octahedra, and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of V–O bond distances ranging from 2.01–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one V3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent V3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one V3+ atom. In the fourth O2- site, O2- is bondedmore » in a 3-coordinate geometry to one Nb5+ and two equivalent V3+ atoms.« less

Publication Date:
Other Number(s):
mp-772403
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; NbVO4; Nb-O-V
OSTI Identifier:
1301251
DOI:
10.17188/1301251

Citation Formats

The Materials Project. Materials Data on NbVO4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1301251.
The Materials Project. Materials Data on NbVO4 by Materials Project. United States. doi:10.17188/1301251.
The Materials Project. 2017. "Materials Data on NbVO4 by Materials Project". United States. doi:10.17188/1301251. https://www.osti.gov/servlets/purl/1301251. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1301251,
title = {Materials Data on NbVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NbVO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with six equivalent VO6 octahedra, and an edgeedge with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Nb–O bond distances ranging from 1.94–2.13 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent NbO6 octahedra, an edgeedge with one NbO6 octahedra, and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of V–O bond distances ranging from 2.01–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one V3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent V3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one V3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent V3+ atoms.},
doi = {10.17188/1301251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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