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

Title: Materials Data on Nb2(PO4)3 by Materials Project

Abstract

Nb2P3O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.01 Å) and three longer (2.03 Å) Nb–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb+4.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb+4.50+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-17242
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; Nb2(PO4)3; Nb-O-P
OSTI Identifier:
1192410
DOI:
https://doi.org/10.17188/1192410

Citation Formats

The Materials Project. Materials Data on Nb2(PO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192410.
The Materials Project. Materials Data on Nb2(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1192410
The Materials Project. 2020. "Materials Data on Nb2(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1192410. https://www.osti.gov/servlets/purl/1192410. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192410,
title = {Materials Data on Nb2(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2P3O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.01 Å) and three longer (2.03 Å) Nb–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb+4.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb+4.50+ and one P5+ atom.},
doi = {10.17188/1192410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}