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

Title: Materials Data on Ce5O9 by Materials Project

Abstract

Ce5O9 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ce+3.60+ sites. In the first Ce+3.60+ site, Ce+3.60+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.43 Å. In the second Ce+3.60+ site, Ce+3.60+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.59 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-760323
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; Ce5O9; Ce-O
OSTI Identifier:
1291605
DOI:
https://doi.org/10.17188/1291605

Citation Formats

The Materials Project. Materials Data on Ce5O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291605.
The Materials Project. Materials Data on Ce5O9 by Materials Project. United States. doi:https://doi.org/10.17188/1291605
The Materials Project. 2020. "Materials Data on Ce5O9 by Materials Project". United States. doi:https://doi.org/10.17188/1291605. https://www.osti.gov/servlets/purl/1291605. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1291605,
title = {Materials Data on Ce5O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce5O9 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ce+3.60+ sites. In the first Ce+3.60+ site, Ce+3.60+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.43 Å. In the second Ce+3.60+ site, Ce+3.60+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.59 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra.},
doi = {10.17188/1291605},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}