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

Title: Materials Data on NbPO5 by Materials Project

Abstract

NbOPO4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.78–2.49 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. 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 distorted single-bond geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1104131
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; NbPO5; Nb-O-P
OSTI Identifier:
1746347
DOI:
https://doi.org/10.17188/1746347

Citation Formats

The Materials Project. Materials Data on NbPO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746347.
The Materials Project. Materials Data on NbPO5 by Materials Project. United States. doi:https://doi.org/10.17188/1746347
The Materials Project. 2020. "Materials Data on NbPO5 by Materials Project". United States. doi:https://doi.org/10.17188/1746347. https://www.osti.gov/servlets/purl/1746347. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746347,
title = {Materials Data on NbPO5 by Materials Project},
author = {The Materials Project},
abstractNote = {NbOPO4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.78–2.49 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. 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 distorted single-bond geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom.},
doi = {10.17188/1746347},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}