Materials Data on Sc3Tc by Materials Project

Abstract

Sc3Tc 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 Tc atoms to form distorted ScSc8Tc4 cuboctahedra that share corners with four equivalent TcSc12 cuboctahedra, corners with fourteen equivalent ScSc8Tc4 cuboctahedra, edges with six equivalent TcSc12 cuboctahedra, edges with twelve equivalent ScSc8Tc4 cuboctahedra, faces with four equivalent TcSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Tc4 cuboctahedra. There are six shorter (3.03 Å) and two longer (3.22 Å) Sc–Sc bond lengths. There are two shorter (2.96 Å) and two longer (3.13 Å) Sc–Tc bond lengths. Tc is bonded to twelve equivalent Sc atoms to form TcSc12 cuboctahedra that share corners with six equivalent TcSc12 cuboctahedra, corners with twelve equivalent ScSc8Tc4 cuboctahedra, edges with eighteen equivalent ScSc8Tc4 cuboctahedra, faces with eight equivalent TcSc12 cuboctahedra, and faces with twelve equivalent ScSc8Tc4 cuboctahedra.