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Title: Materials Data on CeAlO2 by Materials Project

Abstract

CeAlO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.61 Å) and four longer (2.62 Å) Ce–O bond lengths. Al is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Al–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. In the second O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.

Publication Date:
Other Number(s):
mp-1226604
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; CeAlO2; Al-Ce-O
OSTI Identifier:
1759394
DOI:
https://doi.org/10.17188/1759394

Citation Formats

The Materials Project. Materials Data on CeAlO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759394.
The Materials Project. Materials Data on CeAlO2 by Materials Project. United States. doi:https://doi.org/10.17188/1759394
The Materials Project. 2020. "Materials Data on CeAlO2 by Materials Project". United States. doi:https://doi.org/10.17188/1759394. https://www.osti.gov/servlets/purl/1759394. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759394,
title = {Materials Data on CeAlO2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeAlO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.61 Å) and four longer (2.62 Å) Ce–O bond lengths. Al is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Al–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. In the second O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.},
doi = {10.17188/1759394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}