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Title: Materials Data on Ce4Sm by Materials Project

Abstract

SmCe4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded to six equivalent Sm and six equivalent Ce atoms to form SmCe6Sm6 cuboctahedra that share corners with six equivalent SmCe6Sm6 cuboctahedra, corners with six CeCe12 cuboctahedra, edges with six equivalent SmCe6Sm6 cuboctahedra, edges with eighteen CeCe9Sm3 cuboctahedra, faces with six equivalent SmCe6Sm6 cuboctahedra, and faces with twelve equivalent CeCe9Sm3 cuboctahedra. All Sm–Sm bond lengths are 3.39 Å. All Sm–Ce bond lengths are 3.51 Å. There are six inequivalent Ce sites. In the first Ce site, Ce is bonded to three equivalent Sm and nine Ce atoms to form CeCe9Sm3 cuboctahedra that share corners with twelve CeCe9Sm3 cuboctahedra, edges with six equivalent SmCe6Sm6 cuboctahedra, edges with eighteen CeCe9Sm3 cuboctahedra, faces with six equivalent SmCe6Sm6 cuboctahedra, and faces with twelve CeCe9Sm3 cuboctahedra. There are three shorter (3.32 Å) and six longer (3.39 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra.more » There are three shorter (3.35 Å) and six longer (3.39 Å) Ce–Ce bond lengths. In the third Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are three shorter (3.32 Å) and six longer (3.39 Å) Ce–Ce bond lengths. In the fourth Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.32–3.39 Å. In the fifth Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.32–3.39 Å. In the sixth Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are three shorter (3.32 Å) and six longer (3.39 Å) Ce–Ce bond lengths.« less

Authors:
Publication Date:
Other Number(s):
mp-1226765
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; Ce4Sm; Ce-Sm
OSTI Identifier:
1741964
DOI:
https://doi.org/10.17188/1741964

Citation Formats

The Materials Project. Materials Data on Ce4Sm by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741964.
The Materials Project. Materials Data on Ce4Sm by Materials Project. United States. doi:https://doi.org/10.17188/1741964
The Materials Project. 2020. "Materials Data on Ce4Sm by Materials Project". United States. doi:https://doi.org/10.17188/1741964. https://www.osti.gov/servlets/purl/1741964. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741964,
title = {Materials Data on Ce4Sm by Materials Project},
author = {The Materials Project},
abstractNote = {SmCe4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded to six equivalent Sm and six equivalent Ce atoms to form SmCe6Sm6 cuboctahedra that share corners with six equivalent SmCe6Sm6 cuboctahedra, corners with six CeCe12 cuboctahedra, edges with six equivalent SmCe6Sm6 cuboctahedra, edges with eighteen CeCe9Sm3 cuboctahedra, faces with six equivalent SmCe6Sm6 cuboctahedra, and faces with twelve equivalent CeCe9Sm3 cuboctahedra. All Sm–Sm bond lengths are 3.39 Å. All Sm–Ce bond lengths are 3.51 Å. There are six inequivalent Ce sites. In the first Ce site, Ce is bonded to three equivalent Sm and nine Ce atoms to form CeCe9Sm3 cuboctahedra that share corners with twelve CeCe9Sm3 cuboctahedra, edges with six equivalent SmCe6Sm6 cuboctahedra, edges with eighteen CeCe9Sm3 cuboctahedra, faces with six equivalent SmCe6Sm6 cuboctahedra, and faces with twelve CeCe9Sm3 cuboctahedra. There are three shorter (3.32 Å) and six longer (3.39 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are three shorter (3.35 Å) and six longer (3.39 Å) Ce–Ce bond lengths. In the third Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are three shorter (3.32 Å) and six longer (3.39 Å) Ce–Ce bond lengths. In the fourth Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.32–3.39 Å. In the fifth Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.32–3.39 Å. In the sixth Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with three equivalent SmCe6Sm6 cuboctahedra, corners with nine CeCe9Sm3 cuboctahedra, edges with three equivalent SmCe6Sm6 cuboctahedra, edges with twenty-one CeCe9Sm3 cuboctahedra, and faces with eighteen CeCe9Sm3 cuboctahedra. There are three shorter (3.32 Å) and six longer (3.39 Å) Ce–Ce bond lengths.},
doi = {10.17188/1741964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}