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Title: Materials Data on CeMg6Sn by Materials Project

Abstract

Mg6CeSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Ce, and two equivalent Sn atoms to form distorted MgCe2Mg8Sn2 cuboctahedra that share corners with four equivalent CeMg10Sn2 cuboctahedra, corners with four equivalent SnCe2Mg10 cuboctahedra, corners with ten equivalent MgCe2Mg8Sn2 cuboctahedra, edges with two equivalent MgCe2Mg8Sn2 cuboctahedra, edges with two equivalent CeMg10Sn2 cuboctahedra, edges with two equivalent SnCe2Mg10 cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with four equivalent MgCe2Mg8Sn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.26 Å. There are one shorter (3.35 Å) and one longer (3.41 Å) Mg–Ce bond lengths. There are one shorter (3.28 Å) and one longer (3.48 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Ce, and two equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 3.17–3.50 Å. Both Mg–Ce bond lengths are 3.28 Å. Both Mg–Sn bond lengths are 3.24 Å. In the third Mg site, Mg is bonded in a distorted water-likemore » geometry to ten Mg and two equivalent Sn atoms. Both Mg–Mg bond lengths are 3.20 Å. Both Mg–Sn bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ce atoms. Both Mg–Ce bond lengths are 3.25 Å. Ce is bonded to ten Mg and two equivalent Sn atoms to form distorted CeMg10Sn2 cuboctahedra that share corners with four equivalent SnCe2Mg10 cuboctahedra, corners with six equivalent CeMg10Sn2 cuboctahedra, corners with eight equivalent MgCe2Mg8Sn2 cuboctahedra, edges with two equivalent SnCe2Mg10 cuboctahedra, edges with four equivalent MgCe2Mg8Sn2 cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with four equivalent MgCe2Mg8Sn2 cuboctahedra. Both Ce–Sn bond lengths are 3.20 Å. Sn is bonded to ten Mg and two equivalent Ce atoms to form distorted SnCe2Mg10 cuboctahedra that share corners with four equivalent CeMg10Sn2 cuboctahedra, corners with six equivalent SnCe2Mg10 cuboctahedra, corners with eight equivalent MgCe2Mg8Sn2 cuboctahedra, edges with two equivalent CeMg10Sn2 cuboctahedra, edges with four equivalent MgCe2Mg8Sn2 cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with four equivalent MgCe2Mg8Sn2 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1021654
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; CeMg6Sn; Ce-Mg-Sn
OSTI Identifier:
1652570
DOI:
https://doi.org/10.17188/1652570

Citation Formats

The Materials Project. Materials Data on CeMg6Sn by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1652570.
The Materials Project. Materials Data on CeMg6Sn by Materials Project. United States. doi:https://doi.org/10.17188/1652570
The Materials Project. 2017. "Materials Data on CeMg6Sn by Materials Project". United States. doi:https://doi.org/10.17188/1652570. https://www.osti.gov/servlets/purl/1652570. Pub date:Thu Apr 13 00:00:00 EDT 2017
@article{osti_1652570,
title = {Materials Data on CeMg6Sn by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6CeSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Ce, and two equivalent Sn atoms to form distorted MgCe2Mg8Sn2 cuboctahedra that share corners with four equivalent CeMg10Sn2 cuboctahedra, corners with four equivalent SnCe2Mg10 cuboctahedra, corners with ten equivalent MgCe2Mg8Sn2 cuboctahedra, edges with two equivalent MgCe2Mg8Sn2 cuboctahedra, edges with two equivalent CeMg10Sn2 cuboctahedra, edges with two equivalent SnCe2Mg10 cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with four equivalent MgCe2Mg8Sn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.26 Å. There are one shorter (3.35 Å) and one longer (3.41 Å) Mg–Ce bond lengths. There are one shorter (3.28 Å) and one longer (3.48 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Ce, and two equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 3.17–3.50 Å. Both Mg–Ce bond lengths are 3.28 Å. Both Mg–Sn bond lengths are 3.24 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to ten Mg and two equivalent Sn atoms. Both Mg–Mg bond lengths are 3.20 Å. Both Mg–Sn bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ce atoms. Both Mg–Ce bond lengths are 3.25 Å. Ce is bonded to ten Mg and two equivalent Sn atoms to form distorted CeMg10Sn2 cuboctahedra that share corners with four equivalent SnCe2Mg10 cuboctahedra, corners with six equivalent CeMg10Sn2 cuboctahedra, corners with eight equivalent MgCe2Mg8Sn2 cuboctahedra, edges with two equivalent SnCe2Mg10 cuboctahedra, edges with four equivalent MgCe2Mg8Sn2 cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with four equivalent MgCe2Mg8Sn2 cuboctahedra. Both Ce–Sn bond lengths are 3.20 Å. Sn is bonded to ten Mg and two equivalent Ce atoms to form distorted SnCe2Mg10 cuboctahedra that share corners with four equivalent CeMg10Sn2 cuboctahedra, corners with six equivalent SnCe2Mg10 cuboctahedra, corners with eight equivalent MgCe2Mg8Sn2 cuboctahedra, edges with two equivalent CeMg10Sn2 cuboctahedra, edges with four equivalent MgCe2Mg8Sn2 cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with four equivalent MgCe2Mg8Sn2 cuboctahedra.},
doi = {10.17188/1652570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}