Materials Data on TiGa by Materials Project

Abstract

TiGa is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to four equivalent Ti and eight equivalent Ga atoms to form TiTi4Ga8 cuboctahedra that share corners with twelve equivalent TiTi4Ga8 cuboctahedra, edges with eight equivalent TiTi4Ga8 cuboctahedra, edges with sixteen equivalent GaTi8Ga4 cuboctahedra, faces with eight equivalent GaTi8Ga4 cuboctahedra, and faces with ten equivalent TiTi4Ga8 cuboctahedra. All Ti–Ti bond lengths are 2.82 Å. All Ti–Ga bond lengths are 2.81 Å. Ga is bonded to eight equivalent Ti and four equivalent Ga atoms to form GaTi8Ga4 cuboctahedra that share corners with twelve equivalent GaTi8Ga4 cuboctahedra, edges with eight equivalent GaTi8Ga4 cuboctahedra, edges with sixteen equivalent TiTi4Ga8 cuboctahedra, faces with eight equivalent TiTi4Ga8 cuboctahedra, and faces with ten equivalent GaTi8Ga4 cuboctahedra. All Ga–Ga bond lengths are 2.82 Å.