Materials Data on Sc3Cd by Materials Project

Abstract

Sc3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Cd atoms to form distorted ScSc8Cd4 cuboctahedra that share corners with four equivalent CdSc12 cuboctahedra, corners with fourteen equivalent ScSc8Cd4 cuboctahedra, edges with six equivalent CdSc12 cuboctahedra, edges with twelve equivalent ScSc8Cd4 cuboctahedra, faces with four equivalent CdSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Cd4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.16–3.25 Å. All Sc–Cd bond lengths are 3.20 Å. Cd is bonded to twelve equivalent Sc atoms to form CdSc12 cuboctahedra that share corners with six equivalent CdSc12 cuboctahedra, corners with twelve equivalent ScSc8Cd4 cuboctahedra, edges with eighteen equivalent ScSc8Cd4 cuboctahedra, faces with eight equivalent CdSc12 cuboctahedra, and faces with twelve equivalent ScSc8Cd4 cuboctahedra.