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Title: Materials Data on Ce5Gd2O13 by Materials Project

Abstract

Gd2Ce5O13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.55 Å. In the second Gd3+ site, Gd3+ is bonded to five O2- atoms to form corner-sharing GdO5 trigonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.15–2.36 Å. 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 2.33–2.43 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 2.33–2.45 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 2.32–2.44 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 themore » 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 2.31–2.74 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 three equivalent Gd3+ and one Ce4+ atom. In the third O2- site, O2- is bonded to one Gd3+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Gd tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Gd3+ and one Ce4+ atom to form OCeGd3 tetrahedra that share corners with ten OCe4 tetrahedra and edges with three equivalent OCe3Gd tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Gd3+ atoms. In the sixth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe3Gd tetrahedra and edges with six OCe4 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe3Gd tetrahedra and edges with six 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 one Gd3+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Gd tetrahedra. In the thirteenth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-753088
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; Ce5Gd2O13; Ce-Gd-O
OSTI Identifier:
1288898
DOI:
https://doi.org/10.17188/1288898

Citation Formats

The Materials Project. Materials Data on Ce5Gd2O13 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1288898.
The Materials Project. Materials Data on Ce5Gd2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1288898
The Materials Project. 2014. "Materials Data on Ce5Gd2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1288898. https://www.osti.gov/servlets/purl/1288898. Pub date:Sat Feb 15 00:00:00 EST 2014
@article{osti_1288898,
title = {Materials Data on Ce5Gd2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2Ce5O13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.55 Å. In the second Gd3+ site, Gd3+ is bonded to five O2- atoms to form corner-sharing GdO5 trigonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.15–2.36 Å. 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 2.33–2.43 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 2.33–2.45 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 2.32–2.44 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 2.31–2.74 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 three equivalent Gd3+ and one Ce4+ atom. In the third O2- site, O2- is bonded to one Gd3+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Gd tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Gd3+ and one Ce4+ atom to form OCeGd3 tetrahedra that share corners with ten OCe4 tetrahedra and edges with three equivalent OCe3Gd tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Gd3+ atoms. In the sixth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe3Gd tetrahedra and edges with six OCe4 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe3Gd tetrahedra and edges with six 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 one Gd3+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Gd tetrahedra. In the thirteenth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.},
doi = {10.17188/1288898},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}