Materials Data on Sc3In by Materials Project

Abstract

Sc3In is Uranium Silicide-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 In atoms to form distorted ScSc8In4 cuboctahedra that share corners with four equivalent InSc12 cuboctahedra, corners with fourteen equivalent ScSc8In4 cuboctahedra, edges with six equivalent InSc12 cuboctahedra, edges with twelve equivalent ScSc8In4 cuboctahedra, faces with four equivalent InSc12 cuboctahedra, and faces with sixteen equivalent ScSc8In4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.18–3.24 Å. There are two shorter (3.19 Å) and two longer (3.21 Å) Sc–In bond lengths. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with six equivalent InSc12 cuboctahedra, corners with twelve equivalent ScSc8In4 cuboctahedra, edges with eighteen equivalent ScSc8In4 cuboctahedra, faces with eight equivalent InSc12 cuboctahedra, and faces with twelve equivalent ScSc8In4 cuboctahedra.