Materials Data on ScAl3 by Materials Project

Abstract

Al3Sc is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Al atoms to form ScAl12 cuboctahedra that share corners with twelve equivalent ScAl12 cuboctahedra, edges with twenty-four equivalent AlSc4Al8 cuboctahedra, faces with six equivalent ScAl12 cuboctahedra, and faces with twelve equivalent AlSc4Al8 cuboctahedra. All Sc–Al bond lengths are 2.90 Å. Al is bonded to four equivalent Sc and eight equivalent Al atoms to form AlSc4Al8 cuboctahedra that share corners with twelve equivalent AlSc4Al8 cuboctahedra, edges with eight equivalent ScAl12 cuboctahedra, edges with sixteen equivalent AlSc4Al8 cuboctahedra, faces with four equivalent ScAl12 cuboctahedra, and faces with fourteen equivalent AlSc4Al8 cuboctahedra. All Al–Al bond lengths are 2.90 Å.