Materials Data on Ce3Sc by Materials Project

Abstract

Ce3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent Sc atoms to form distorted CeCe8Sc4 cuboctahedra that share corners with four equivalent ScCe12 cuboctahedra, corners with fourteen equivalent CeCe8Sc4 cuboctahedra, edges with six equivalent ScCe12 cuboctahedra, edges with twelve equivalent CeCe8Sc4 cuboctahedra, faces with four equivalent ScCe12 cuboctahedra, and faces with sixteen equivalent CeCe8Sc4 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.29–3.53 Å. There are two shorter (3.38 Å) and two longer (3.41 Å) Ce–Sc bond lengths. Sc is bonded to twelve equivalent Ce atoms to form ScCe12 cuboctahedra that share corners with six equivalent ScCe12 cuboctahedra, corners with twelve equivalent CeCe8Sc4 cuboctahedra, edges with eighteen equivalent CeCe8Sc4 cuboctahedra, faces with eight equivalent ScCe12 cuboctahedra, and faces with twelve equivalent CeCe8Sc4 cuboctahedra.