U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce5Sm2O13 by Materials Project
Abstract
Sm2Ce5O13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.56 Å. In the second Sm3+ site, Sm3+ is bonded to five O2- atoms to form corner-sharing SmO5 trigonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.19–2.38 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 2.32–2.44 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 2.33–2.46 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 2.32–2.46 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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-753792
- 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; Ce5Sm2O13; Ce-O-Sm
- OSTI Identifier:
- 1289136
- DOI:
- https://doi.org/10.17188/1289136
Citation Formats
The Materials Project. Materials Data on Ce5Sm2O13 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1289136.
The Materials Project. Materials Data on Ce5Sm2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1289136
The Materials Project. 2014.
"Materials Data on Ce5Sm2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1289136. https://www.osti.gov/servlets/purl/1289136. Pub date:Fri Feb 14 00:00:00 EST 2014
@article{osti_1289136,
title = {Materials Data on Ce5Sm2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Ce5O13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.56 Å. In the second Sm3+ site, Sm3+ is bonded to five O2- atoms to form corner-sharing SmO5 trigonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.19–2.38 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 2.32–2.44 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 2.33–2.46 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 2.32–2.46 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 2.29–2.75 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sm3+ and three equivalent Ce4+ atoms to form OCe3Sm tetrahedra that share corners with thirteen OCe3Sm tetrahedra and edges with three equivalent OCe4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Ce4+ atom. In the third O2- site, O2- is bonded to one Sm3+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Sm tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Sm3+ and one Ce4+ atom to form OCeSm3 tetrahedra that share corners with thirteen OCe4 tetrahedra and edges with six OCe3Sm tetrahedra. In the fifth O2- site, O2- is bonded to four Sm3+ atoms to form distorted OSm4 tetrahedra that share corners with thirteen OCe3Sm tetrahedra and edges with three equivalent OCeSm3 tetrahedra. 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 OCe3Sm 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 OCe3Sm 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 four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with fifteen OCe3Sm tetrahedra and edges with six OCe4 tetrahedra.},
doi = {10.17188/1289136},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}
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