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Title: Materials Data on CeMg by Materials Project

Abstract

CeMg crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Mg and eight Ce atoms to form MgCe8Mg4 cuboctahedra that share edges with four equivalent CeCe4Mg8 cuboctahedra, edges with six equivalent MgCe8Mg4 cuboctahedra, faces with two equivalent MgCe8Mg4 cuboctahedra, and faces with four equivalent CeCe4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. There are a spread of Mg–Ce bond distances ranging from 3.31–3.53 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Ce atoms. There are one shorter (3.13 Å) and two longer (3.51 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.32–3.48 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to seven Mg and five Ce atoms. There are a spread of Ce–Ce bond distances ranging from 2.70–3.74 Å. In the second Ce site, Ce is bonded to eight Mg and four equivalent Ce atoms to form CeCe4Mg8 cuboctahedra that share edges with four equivalent MgCe8Mg4 cuboctahedra, edges with six equivalent CeCe4Mg8 cuboctahedra,more » faces with two equivalent CeCe4Mg8 cuboctahedra, and faces with four equivalent MgCe8Mg4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1039711
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; CeMg; Ce-Mg
OSTI Identifier:
1676223
DOI:
https://doi.org/10.17188/1676223

Citation Formats

The Materials Project. Materials Data on CeMg by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1676223.
The Materials Project. Materials Data on CeMg by Materials Project. United States. doi:https://doi.org/10.17188/1676223
The Materials Project. 2017. "Materials Data on CeMg by Materials Project". United States. doi:https://doi.org/10.17188/1676223. https://www.osti.gov/servlets/purl/1676223. Pub date:Wed May 31 00:00:00 EDT 2017
@article{osti_1676223,
title = {Materials Data on CeMg by Materials Project},
author = {The Materials Project},
abstractNote = {CeMg crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Mg and eight Ce atoms to form MgCe8Mg4 cuboctahedra that share edges with four equivalent CeCe4Mg8 cuboctahedra, edges with six equivalent MgCe8Mg4 cuboctahedra, faces with two equivalent MgCe8Mg4 cuboctahedra, and faces with four equivalent CeCe4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. There are a spread of Mg–Ce bond distances ranging from 3.31–3.53 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Ce atoms. There are one shorter (3.13 Å) and two longer (3.51 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.32–3.48 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to seven Mg and five Ce atoms. There are a spread of Ce–Ce bond distances ranging from 2.70–3.74 Å. In the second Ce site, Ce is bonded to eight Mg and four equivalent Ce atoms to form CeCe4Mg8 cuboctahedra that share edges with four equivalent MgCe8Mg4 cuboctahedra, edges with six equivalent CeCe4Mg8 cuboctahedra, faces with two equivalent CeCe4Mg8 cuboctahedra, and faces with four equivalent MgCe8Mg4 cuboctahedra.},
doi = {10.17188/1676223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}