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Title: Materials Data on Ce4SnO10 by Materials Project

Abstract

Ce4SnO10 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.41 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.42 Å. Sn4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.16 Å) and six longer (2.30 Å) Sn–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ce4+ and one Sn4+ atom to form OCe3Sn tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeSn3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to onemore » Ce4+ and three equivalent Sn4+ atoms to form OCeSn3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeSn3 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1226854
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; Ce4SnO10; Ce-O-Sn
OSTI Identifier:
1708629
DOI:
https://doi.org/10.17188/1708629

Citation Formats

The Materials Project. Materials Data on Ce4SnO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708629.
The Materials Project. Materials Data on Ce4SnO10 by Materials Project. United States. doi:https://doi.org/10.17188/1708629
The Materials Project. 2020. "Materials Data on Ce4SnO10 by Materials Project". United States. doi:https://doi.org/10.17188/1708629. https://www.osti.gov/servlets/purl/1708629. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1708629,
title = {Materials Data on Ce4SnO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce4SnO10 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.41 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.42 Å. Sn4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.16 Å) and six longer (2.30 Å) Sn–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ce4+ and one Sn4+ atom to form OCe3Sn tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeSn3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to one Ce4+ and three equivalent Sn4+ atoms to form OCeSn3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeSn3 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.},
doi = {10.17188/1708629},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}