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Title: Materials Data on Ce2UO6 by Materials Project

Abstract

Ce2UO6 is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.17 Å) and six longer (2.33 Å) U–O bond lengths. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.47 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three equivalent Ce3+ atoms to form OCe3U tetrahedra that share corners with sixteen OCe3U tetrahedra and edges with six OCeU3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent U6+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra. In the third O2- site, O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1226776
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; Ce2UO6; Ce-O-U
OSTI Identifier:
1738448
DOI:
https://doi.org/10.17188/1738448

Citation Formats

The Materials Project. Materials Data on Ce2UO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738448.
The Materials Project. Materials Data on Ce2UO6 by Materials Project. United States. doi:https://doi.org/10.17188/1738448
The Materials Project. 2020. "Materials Data on Ce2UO6 by Materials Project". United States. doi:https://doi.org/10.17188/1738448. https://www.osti.gov/servlets/purl/1738448. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738448,
title = {Materials Data on Ce2UO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2UO6 is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.17 Å) and six longer (2.33 Å) U–O bond lengths. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.47 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three equivalent Ce3+ atoms to form OCe3U tetrahedra that share corners with sixteen OCe3U tetrahedra and edges with six OCeU3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent U6+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra. In the third O2- site, O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.},
doi = {10.17188/1738448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}