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Title: Materials Data on CeMg2 by Materials Project

Abstract

CeMg2 is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe2Mg10 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with seven equivalent CeCe2Mg10 cuboctahedra, edges with eleven equivalent MgCe4Mg8 cuboctahedra, faces with six equivalent CeCe2Mg10 cuboctahedra, and faces with fourteen MgCe6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.41 Å. There are four shorter (3.34 Å) and two longer (3.36 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ce atoms to form MgCe4Mg8 cuboctahedra that share corners with six equivalent CeCe2Mg10 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with three equivalent CeCe2Mg10 cuboctahedra, edges with fifteen MgCe6Mg6 cuboctahedra, faces with eight equivalent CeCe2Mg10 cuboctahedra, and faces with twelve MgCe6Mg6 cuboctahedra. There are two shorter (3.19 Å) and four longer (3.38 Å) Mg–Mg bond lengths. There are two shorter (3.38 Å) and two longer (3.42 Å) Mg–Ce bond lengths. Ce is bonded to ten Mg and two equivalent Ce atomsmore » to form CeCe2Mg10 cuboctahedra that share corners with six equivalent CeCe2Mg10 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with eight equivalent CeCe2Mg10 cuboctahedra, edges with ten MgCe6Mg6 cuboctahedra, faces with six equivalent CeCe2Mg10 cuboctahedra, and faces with fourteen MgCe6Mg6 cuboctahedra. Both Ce–Ce bond lengths are 3.19 Å.« less

Publication Date:
Other Number(s):
mp-1039381
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CeMg2; Ce-Mg
OSTI Identifier:
1746922
DOI:
https://doi.org/10.17188/1746922

Citation Formats

The Materials Project. Materials Data on CeMg2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746922.
The Materials Project. Materials Data on CeMg2 by Materials Project. United States. doi:https://doi.org/10.17188/1746922
The Materials Project. 2020. "Materials Data on CeMg2 by Materials Project". United States. doi:https://doi.org/10.17188/1746922. https://www.osti.gov/servlets/purl/1746922. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746922,
title = {Materials Data on CeMg2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeMg2 is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe2Mg10 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with seven equivalent CeCe2Mg10 cuboctahedra, edges with eleven equivalent MgCe4Mg8 cuboctahedra, faces with six equivalent CeCe2Mg10 cuboctahedra, and faces with fourteen MgCe6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.41 Å. There are four shorter (3.34 Å) and two longer (3.36 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ce atoms to form MgCe4Mg8 cuboctahedra that share corners with six equivalent CeCe2Mg10 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with three equivalent CeCe2Mg10 cuboctahedra, edges with fifteen MgCe6Mg6 cuboctahedra, faces with eight equivalent CeCe2Mg10 cuboctahedra, and faces with twelve MgCe6Mg6 cuboctahedra. There are two shorter (3.19 Å) and four longer (3.38 Å) Mg–Mg bond lengths. There are two shorter (3.38 Å) and two longer (3.42 Å) Mg–Ce bond lengths. Ce is bonded to ten Mg and two equivalent Ce atoms to form CeCe2Mg10 cuboctahedra that share corners with six equivalent CeCe2Mg10 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with eight equivalent CeCe2Mg10 cuboctahedra, edges with ten MgCe6Mg6 cuboctahedra, faces with six equivalent CeCe2Mg10 cuboctahedra, and faces with fourteen MgCe6Mg6 cuboctahedra. Both Ce–Ce bond lengths are 3.19 Å.},
doi = {10.17188/1746922},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}