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Title: Materials Data on PrNbO3 by Materials Project

Abstract

PrNbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. All Pr–O bond lengths are 2.89 Å. Nb3+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.04 Å. O2- is bonded in a distorted linear geometry to four equivalent Pr3+ and two equivalent Nb3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-975913
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; PrNbO3; Nb-O-Pr
OSTI Identifier:
1314917
DOI:
https://doi.org/10.17188/1314917

Citation Formats

The Materials Project. Materials Data on PrNbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314917.
The Materials Project. Materials Data on PrNbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314917
The Materials Project. 2020. "Materials Data on PrNbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314917. https://www.osti.gov/servlets/purl/1314917. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314917,
title = {Materials Data on PrNbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PrNbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. All Pr–O bond lengths are 2.89 Å. Nb3+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.04 Å. O2- is bonded in a distorted linear geometry to four equivalent Pr3+ and two equivalent Nb3+ atoms.},
doi = {10.17188/1314917},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}