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Title: Materials Data on Ce5Y2O13 by Materials Project

Abstract

Ce5Y2O13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five 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 2.33–2.45 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 2.32–2.45 Å. In the third 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 2.33–2.45 Å. In the fourth 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 2.33–2.43 Å. In the fifth 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 2.31–2.76 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to five O2- atoms to form corner-sharing YO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.13–2.34 Å. Inmore » the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.54 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ce4+ and three equivalent Y3+ atoms. In the third O2- site, O2- is bonded to one Ce4+ and three equivalent Y3+ atoms to form OCeY3 tetrahedra that share corners with ten OCe4 tetrahedra and edges with three equivalent OCe3Y tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the fifth O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCeY3 tetrahedra and edges with six OCe4 tetrahedra. In the sixth O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCeY3 tetrahedra and edges with six OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to three equivalent Ce4+ and one Y3+ atom to form OCe3Y tetrahedra that share corners with twelve OCe4 tetrahedra and edges with six OCeY3 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the tenth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eleventh O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the twelfth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the thirteenth O2- site, O2- is bonded to three equivalent Ce4+ and one Y3+ atom to form a mixture of edge and corner-sharing OCe3Y tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-753355
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; Ce5Y2O13; Ce-O-Y
OSTI Identifier:
1289000
DOI:
https://doi.org/10.17188/1289000

Citation Formats

The Materials Project. Materials Data on Ce5Y2O13 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1289000.
The Materials Project. Materials Data on Ce5Y2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1289000
The Materials Project. 2014. "Materials Data on Ce5Y2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1289000. https://www.osti.gov/servlets/purl/1289000. Pub date:Wed Aug 20 00:00:00 EDT 2014
@article{osti_1289000,
title = {Materials Data on Ce5Y2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce5Y2O13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five 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 2.33–2.45 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 2.32–2.45 Å. In the third 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 2.33–2.45 Å. In the fourth 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 2.33–2.43 Å. In the fifth 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 2.31–2.76 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to five O2- atoms to form corner-sharing YO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.13–2.34 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.54 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ce4+ and three equivalent Y3+ atoms. In the third O2- site, O2- is bonded to one Ce4+ and three equivalent Y3+ atoms to form OCeY3 tetrahedra that share corners with ten OCe4 tetrahedra and edges with three equivalent OCe3Y tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the fifth O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCeY3 tetrahedra and edges with six OCe4 tetrahedra. In the sixth O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCeY3 tetrahedra and edges with six OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to three equivalent Ce4+ and one Y3+ atom to form OCe3Y tetrahedra that share corners with twelve OCe4 tetrahedra and edges with six OCeY3 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the tenth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eleventh O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the twelfth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the thirteenth O2- site, O2- is bonded to three equivalent Ce4+ and one Y3+ atom to form a mixture of edge and corner-sharing OCe3Y tetrahedra.},
doi = {10.17188/1289000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {8}
}