Materials Data on Ce3Mg by Materials Project

Abstract

MgCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ce atoms to form MgCe12 cuboctahedra that share corners with six equivalent MgCe12 cuboctahedra, corners with twelve equivalent CeCe8Mg4 cuboctahedra, edges with eighteen equivalent CeCe8Mg4 cuboctahedra, faces with eight equivalent MgCe12 cuboctahedra, and faces with twelve equivalent CeCe8Mg4 cuboctahedra. There are six shorter (3.33 Å) and six longer (3.45 Å) Mg–Ce bond lengths. Ce is bonded to four equivalent Mg and eight equivalent Ce atoms to form distorted CeCe8Mg4 cuboctahedra that share corners with four equivalent MgCe12 cuboctahedra, corners with fourteen equivalent CeCe8Mg4 cuboctahedra, edges with six equivalent MgCe12 cuboctahedra, edges with twelve equivalent CeCe8Mg4 cuboctahedra, faces with four equivalent MgCe12 cuboctahedra, and faces with sixteen equivalent CeCe8Mg4 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.35–3.47 Å.