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Title: Materials Data on NbV2O7 by Materials Project

Abstract

NbV2O7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Nb–O bond lengths are 2.02 Å. V+4.50+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent NbO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There is three shorter (1.74 Å) and one longer (1.78 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V+4.50+ atoms. In the second O2- site, O2- is bonded in a linear geometry to one Nb5+ and one V+4.50+ atom.

Publication Date:
Other Number(s):
mp-773430
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; NbV2O7; Nb-O-V
OSTI Identifier:
1301867
DOI:
10.17188/1301867

Citation Formats

The Materials Project. Materials Data on NbV2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301867.
The Materials Project. Materials Data on NbV2O7 by Materials Project. United States. doi:10.17188/1301867.
The Materials Project. 2020. "Materials Data on NbV2O7 by Materials Project". United States. doi:10.17188/1301867. https://www.osti.gov/servlets/purl/1301867. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1301867,
title = {Materials Data on NbV2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {NbV2O7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Nb–O bond lengths are 2.02 Å. V+4.50+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent NbO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There is three shorter (1.74 Å) and one longer (1.78 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V+4.50+ atoms. In the second O2- site, O2- is bonded in a linear geometry to one Nb5+ and one V+4.50+ atom.},
doi = {10.17188/1301867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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