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Title: Materials Data on PrNiO3 by Materials Project

Abstract

PrNiO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.40 Å) and six longer (2.72 Å) Pr–O bond lengths. Ni3+ is bonded to six equivalent O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Ni–O bond lengths are 1.97 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+ and two equivalent Ni3+ atoms.

Publication Date:
Other Number(s):
mp-19170
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; PrNiO3; Ni-O-Pr
OSTI Identifier:
1193994
DOI:
https://doi.org/10.17188/1193994

Citation Formats

The Materials Project. Materials Data on PrNiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193994.
The Materials Project. Materials Data on PrNiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1193994
The Materials Project. 2020. "Materials Data on PrNiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1193994. https://www.osti.gov/servlets/purl/1193994. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1193994,
title = {Materials Data on PrNiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PrNiO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.40 Å) and six longer (2.72 Å) Pr–O bond lengths. Ni3+ is bonded to six equivalent O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Ni–O bond lengths are 1.97 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+ and two equivalent Ni3+ atoms.},
doi = {10.17188/1193994},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}