Materials Data on Ce3Cd by Materials Project

Abstract

Ce3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Cd atoms to form distorted CeCe8Cd4 cuboctahedra that share corners with twelve equivalent CeCe8Cd4 cuboctahedra, edges with eight equivalent CdCe12 cuboctahedra, edges with sixteen CeCe8Cd4 cuboctahedra, faces with four equivalent CdCe12 cuboctahedra, and faces with fourteen CeCe8Cd4 cuboctahedra. There are four shorter (3.36 Å) and four longer (3.41 Å) Ce–Ce bond lengths. All Ce–Cd bond lengths are 3.41 Å. In the second Ce site, Ce is bonded to eight equivalent Ce and four equivalent Cd atoms to form distorted CeCe8Cd4 cuboctahedra that share corners with four equivalent CeCe8Cd4 cuboctahedra, corners with eight equivalent CdCe12 cuboctahedra, edges with twenty-four CeCe8Cd4 cuboctahedra, faces with six equivalent CdCe12 cuboctahedra, and faces with twelve CeCe8Cd4 cuboctahedra. All Ce–Cd bond lengths are 3.36 Å. Cd is bonded to twelve Ce atoms to form CdCe12 cuboctahedra that share corners with four equivalent CdCe12 cuboctahedra, corners with eight equivalent CeCe8Cd4 cuboctahedra, edges with eight equivalent CdCe12 cuboctahedra, edges with sixteen equivalent CeCe8Cd4 cuboctahedra, faces with four equivalent CdCe12 cuboctahedra, and faces with fourteen CeCe8Cd4 cuboctahedra.