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

Title: Materials Data on PrNbO4 by Materials Project

Abstract

PrNbO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.48–2.51 Å. Nb5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.91 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Nb5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4709
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; PrNbO4; Nb-O-Pr
OSTI Identifier:
1182587
DOI:
10.17188/1182587

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PrNbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1182587.
Persson, Kristin, & Project, Materials. Materials Data on PrNbO4 by Materials Project. United States. doi:10.17188/1182587.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PrNbO4 by Materials Project". United States. doi:10.17188/1182587. https://www.osti.gov/servlets/purl/1182587. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1182587,
title = {Materials Data on PrNbO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PrNbO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.48–2.51 Å. Nb5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.91 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Nb5+ atom.},
doi = {10.17188/1182587},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: