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Title: Materials Data on Ce2UO6 by Materials Project

Abstract

Ce2UO6 is Fluorite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.25–2.35 Å. There are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.38–2.41 Å. In the second Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.38–2.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the second O2- site, O2- is bonded to two equivalent U6+ and two Ce3+ atoms to form a mixture of corner and edge-sharing OCe2U2 tetrahedra. In the third O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the fourth O2- site, O2- is bonded to one U6+ and three Ce3+more » atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent U6+ and two Ce3+ atoms to form a mixture of corner and edge-sharing OCe2U2 tetrahedra. In the sixth O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-760470
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; Ce2UO6; Ce-O-U
OSTI Identifier:
1282021
DOI:
10.17188/1282021

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce2UO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282021.
Persson, Kristin, & Project, Materials. Materials Data on Ce2UO6 by Materials Project. United States. doi:10.17188/1282021.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce2UO6 by Materials Project". United States. doi:10.17188/1282021. https://www.osti.gov/servlets/purl/1282021. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1282021,
title = {Materials Data on Ce2UO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce2UO6 is Fluorite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.25–2.35 Å. There are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.38–2.41 Å. In the second Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.38–2.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the second O2- site, O2- is bonded to two equivalent U6+ and two Ce3+ atoms to form a mixture of corner and edge-sharing OCe2U2 tetrahedra. In the third O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the fourth O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent U6+ and two Ce3+ atoms to form a mixture of corner and edge-sharing OCe2U2 tetrahedra. In the sixth O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra.},
doi = {10.17188/1282021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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