Materials Data on ScGa3 by Materials Project

Abstract

ScGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Ga atoms to form ScGa12 cuboctahedra that share corners with twelve equivalent ScGa12 cuboctahedra, edges with twenty-four equivalent GaSc4Ga8 cuboctahedra, faces with six equivalent ScGa12 cuboctahedra, and faces with twelve equivalent GaSc4Ga8 cuboctahedra. All Sc–Ga bond lengths are 2.91 Å. Ga is bonded to four equivalent Sc and eight equivalent Ga atoms to form distorted GaSc4Ga8 cuboctahedra that share corners with twelve equivalent GaSc4Ga8 cuboctahedra, edges with eight equivalent ScGa12 cuboctahedra, edges with sixteen equivalent GaSc4Ga8 cuboctahedra, faces with four equivalent ScGa12 cuboctahedra, and faces with fourteen equivalent GaSc4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.91 Å.