Materials Data on Ce2Mg by Materials Project

Abstract

MgCe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ce atoms to form MgCe9Mg3 cuboctahedra that share corners with nine equivalent MgCe9Mg3 cuboctahedra, corners with nine equivalent CeCe6Mg6 cuboctahedra, edges with six equivalent MgCe9Mg3 cuboctahedra, edges with twelve equivalent CeCe8Mg4 cuboctahedra, faces with five equivalent MgCe9Mg3 cuboctahedra, and faces with fifteen CeCe8Mg4 cuboctahedra. All Mg–Mg bond lengths are 3.33 Å. There are three shorter (3.33 Å) and six longer (3.41 Å) Mg–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Mg and eight Ce atoms to form CeCe8Mg4 cuboctahedra that share corners with eighteen equivalent CeCe8Mg4 cuboctahedra, edges with eight equivalent MgCe9Mg3 cuboctahedra, edges with ten CeCe8Mg4 cuboctahedra, faces with eight equivalent MgCe9Mg3 cuboctahedra, and faces with twelve CeCe8Mg4 cuboctahedra. There are six shorter (3.33 Å) and two longer (3.41 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to six equivalent Mg and six equivalent Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with eighteen equivalent MgCe9Mg3 cuboctahedra, edges with eighteen CeCe8Mg4 cuboctahedra, faces with six equivalent MgCe9Mg3 cuboctahedra, and faces with fourteen CeCe8Mg4 cuboctahedra.