Materials Data on Ce2Mg by Materials Project

MgCe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent MgCe6Mg6 cuboctahedra, corners with twelve CeCe8Mg4 cuboctahedra, edges with four equivalent MgCe6Mg6 cuboctahedra, edges with fourteen CeCe10Mg2 cuboctahedra, faces with eight equivalent MgCe6Mg6 cuboctahedra, and faces with twelve CeCe10Mg2 cuboctahedra. There are two shorter (3.11 Å) and four longer (3.12 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.38–3.53 Å. 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 six equivalent MgCe6Mg6 cuboctahedra, corners with twelve CeCe8Mg4 cuboctahedra, edges with three equivalent MgCe6Mg6 cuboctahedra, edges with fifteen CeCe8Mg4 cuboctahedra, faces with eight equivalent MgCe6Mg6 cuboctahedra, and faces with twelve CeCe8Mg4 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.08–3.64 Å. In the second Ce site, Ce is bonded to two equivalent Mg and ten Ce atoms to form distorted CeCe10Mg2 cuboctahedra that share corners with six equivalent MgCe6Mg6 cuboctahedra, corners with twelve CeCe10Mg2 cuboctahedra, edges with seven equivalent CeCe8Mg4 cuboctahedra, edges with eleven equivalent MgCe6Mg6 cuboctahedra, faces with four equivalent MgCe6Mg6 cuboctahedra, and faces with sixteen CeCe8Mg4 cuboctahedra. There are two shorter (3.11 Å) and two longer (3.72 Å) Ce–Ce bond lengths.