Materials Data on Sc3Al by Materials Project

Abstract

Sc3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Al atoms to form ScSc8Al4 cuboctahedra that share corners with twelve equivalent ScSc8Al4 cuboctahedra, edges with eight equivalent AlSc12 cuboctahedra, edges with sixteen equivalent ScSc8Al4 cuboctahedra, faces with four equivalent AlSc12 cuboctahedra, and faces with fourteen equivalent ScSc8Al4 cuboctahedra. All Sc–Sc bond lengths are 3.13 Å. All Sc–Al bond lengths are 3.13 Å. Al is bonded to twelve equivalent Sc atoms to form AlSc12 cuboctahedra that share corners with twelve equivalent AlSc12 cuboctahedra, edges with twenty-four equivalent ScSc8Al4 cuboctahedra, faces with six equivalent AlSc12 cuboctahedra, and faces with twelve equivalent ScSc8Al4 cuboctahedra.