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Title: Materials Data on CeAlO3 by Materials Project

Abstract

CeAlO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent O2- atoms to form distorted CeO12 cuboctahedra that share corners with twelve equivalent CeO12 cuboctahedra, faces with six equivalent CeO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are a spread of Ce–O bond distances ranging from 2.45–2.92 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ce3+ and two equivalent Al3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3408
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; CeAlO3; Al-Ce-O
OSTI Identifier:
1206713
DOI:
10.17188/1206713

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CeAlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206713.
Persson, Kristin, & Project, Materials. Materials Data on CeAlO3 by Materials Project. United States. doi:10.17188/1206713.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CeAlO3 by Materials Project". United States. doi:10.17188/1206713. https://www.osti.gov/servlets/purl/1206713. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1206713,
title = {Materials Data on CeAlO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CeAlO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent O2- atoms to form distorted CeO12 cuboctahedra that share corners with twelve equivalent CeO12 cuboctahedra, faces with six equivalent CeO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are a spread of Ce–O bond distances ranging from 2.45–2.92 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ce3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1206713},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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