DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CeMg6Ga by Materials Project

Abstract

Mg6CeGa 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 in a 12-coordinate geometry to eight Mg, two equivalent Ce, and two equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.46 Å. There are one shorter (3.25 Å) and one longer (3.41 Å) Mg–Ce bond lengths. Both Mg–Ga bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent CeMg10Ga2 cuboctahedra, corners with six equivalent MgCe2Mg10 cuboctahedra, edges with two equivalent CeMg10Ga2 cuboctahedra, edges with twelve MgCe2Mg8Ga2 cuboctahedra, faces with two equivalent CeMg10Ga2 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. There are four shorter (3.10 Å) and two longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.29 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Ce, and two equivalent Ga atoms to form distorted MgCe2Mg8Ga2 cuboctahedra that share corners with fourteen MgCe2Mg8Ga2 cuboctahedra, edges with four equivalent CeMg10Ga2 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg10Ga2more » cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.43 Å. Both Mg–Ce bond lengths are 3.24 Å. There are one shorter (3.28 Å) and one longer (3.38 Å) Mg–Ga bond lengths. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with fourteen MgCe2Mg8Ga2 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with six equivalent CeMg10Ga2 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. Both Mg–Ga bond lengths are 3.28 Å. Ce is bonded to ten Mg and two equivalent Ga atoms to form distorted CeMg10Ga2 cuboctahedra that share corners with four equivalent MgCe2Mg10 cuboctahedra, corners with six equivalent CeMg10Ga2 cuboctahedra, edges with ten MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg10Ga2 cuboctahedra, and faces with twelve MgCe2Mg10 cuboctahedra. Both Ce–Ga bond lengths are 3.02 Å. Ga is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ce atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1099330
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; CeMg6Ga; Ce-Ga-Mg
OSTI Identifier:
1740660
DOI:
https://doi.org/10.17188/1740660

Citation Formats

The Materials Project. Materials Data on CeMg6Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740660.
The Materials Project. Materials Data on CeMg6Ga by Materials Project. United States. doi:https://doi.org/10.17188/1740660
The Materials Project. 2020. "Materials Data on CeMg6Ga by Materials Project". United States. doi:https://doi.org/10.17188/1740660. https://www.osti.gov/servlets/purl/1740660. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740660,
title = {Materials Data on CeMg6Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6CeGa 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 in a 12-coordinate geometry to eight Mg, two equivalent Ce, and two equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.46 Å. There are one shorter (3.25 Å) and one longer (3.41 Å) Mg–Ce bond lengths. Both Mg–Ga bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent CeMg10Ga2 cuboctahedra, corners with six equivalent MgCe2Mg10 cuboctahedra, edges with two equivalent CeMg10Ga2 cuboctahedra, edges with twelve MgCe2Mg8Ga2 cuboctahedra, faces with two equivalent CeMg10Ga2 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. There are four shorter (3.10 Å) and two longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.29 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Ce, and two equivalent Ga atoms to form distorted MgCe2Mg8Ga2 cuboctahedra that share corners with fourteen MgCe2Mg8Ga2 cuboctahedra, edges with four equivalent CeMg10Ga2 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg10Ga2 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.43 Å. Both Mg–Ce bond lengths are 3.24 Å. There are one shorter (3.28 Å) and one longer (3.38 Å) Mg–Ga bond lengths. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with fourteen MgCe2Mg8Ga2 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with six equivalent CeMg10Ga2 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. Both Mg–Ga bond lengths are 3.28 Å. Ce is bonded to ten Mg and two equivalent Ga atoms to form distorted CeMg10Ga2 cuboctahedra that share corners with four equivalent MgCe2Mg10 cuboctahedra, corners with six equivalent CeMg10Ga2 cuboctahedra, edges with ten MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg10Ga2 cuboctahedra, and faces with twelve MgCe2Mg10 cuboctahedra. Both Ce–Ga bond lengths are 3.02 Å. Ga is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ce atoms.},
doi = {10.17188/1740660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}