Materials Data on Ce2Mg by Materials Project

Abstract

MgCe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven Ce atoms to form MgCe7Mg5 cuboctahedra that share corners with two equivalent MgCe7Mg5 cuboctahedra, corners with five equivalent CeCe7Mg5 cuboctahedra, edges with six equivalent MgCe7Mg5 cuboctahedra, edges with six equivalent CeCe7Mg5 cuboctahedra, faces with seven equivalent MgCe7Mg5 cuboctahedra, and faces with seven equivalent CeCe7Mg5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.25 Å. There are a spread of Mg–Ce bond distances ranging from 3.40–3.63 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to two equivalent Mg and ten Ce atoms. There are a spread of Ce–Ce bond distances ranging from 2.91–3.74 Å. In the second Ce site, Ce is bonded to five equivalent Mg and seven Ce atoms to form distorted CeCe7Mg5 cuboctahedra that share corners with two equivalent CeCe7Mg5 cuboctahedra, corners with five equivalent MgCe7Mg5 cuboctahedra, edges with six equivalent MgCe7Mg5 cuboctahedra, edges with twelve equivalent CeCe7Mg5 cuboctahedra, faces with four equivalent CeCe7Mg5 cuboctahedra, and faces with seven equivalent MgCe7Mg5 cuboctahedra. Both Ce–Ce bond lengths are 3.25 Å.