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

Title: Materials Data on Ce4ThO9 by Materials Project

Abstract

ThCe4O9 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.55 Å) Th–O bond lengths. Ce+3.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.44 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to one Th4+ and three equivalent Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra. In the third O2- site, O2- is bonded to one Th4+ and three equivalent Ce+3.50+ atoms to form distorted OCe3Th tetrahedra that share corners with fifteen OCe4 tetrahedra and edges with five equivalent OCe3Th tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-753456
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; Ce4ThO9; Ce-O-Th
OSTI Identifier:
1289031
DOI:
https://doi.org/10.17188/1289031

Citation Formats

The Materials Project. Materials Data on Ce4ThO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289031.
The Materials Project. Materials Data on Ce4ThO9 by Materials Project. United States. doi:https://doi.org/10.17188/1289031
The Materials Project. 2020. "Materials Data on Ce4ThO9 by Materials Project". United States. doi:https://doi.org/10.17188/1289031. https://www.osti.gov/servlets/purl/1289031. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1289031,
title = {Materials Data on Ce4ThO9 by Materials Project},
author = {The Materials Project},
abstractNote = {ThCe4O9 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.55 Å) Th–O bond lengths. Ce+3.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.44 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to one Th4+ and three equivalent Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra. In the third O2- site, O2- is bonded to one Th4+ and three equivalent Ce+3.50+ atoms to form distorted OCe3Th tetrahedra that share corners with fifteen OCe4 tetrahedra and edges with five equivalent OCe3Th tetrahedra.},
doi = {10.17188/1289031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}