Materials Data on TiZnGa2 by Materials Project

Abstract

TiZnGa2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to four equivalent Zn and eight equivalent Ga atoms to form TiZn4Ga8 cuboctahedra that share corners with twelve equivalent TiZn4Ga8 cuboctahedra, edges with eight equivalent ZnTi4Ga8 cuboctahedra, edges with sixteen equivalent GaTi4Zn4Ga4 cuboctahedra, faces with four equivalent ZnTi4Ga8 cuboctahedra, faces with six equivalent TiZn4Ga8 cuboctahedra, and faces with eight equivalent GaTi4Zn4Ga4 cuboctahedra. All Ti–Zn bond lengths are 2.81 Å. All Ti–Ga bond lengths are 2.78 Å. Zn is bonded to four equivalent Ti and eight equivalent Ga atoms to form ZnTi4Ga8 cuboctahedra that share corners with twelve equivalent ZnTi4Ga8 cuboctahedra, edges with eight equivalent TiZn4Ga8 cuboctahedra, edges with sixteen equivalent GaTi4Zn4Ga4 cuboctahedra, faces with four equivalent TiZn4Ga8 cuboctahedra, faces with six equivalent ZnTi4Ga8 cuboctahedra, and faces with eight equivalent GaTi4Zn4Ga4 cuboctahedra. All Zn–Ga bond lengths are 2.78 Å. Ga is bonded to four equivalent Ti, four equivalent Zn, and four equivalent Ga atoms to form GaTi4Zn4Ga4 cuboctahedra that share corners with twelve equivalent GaTi4Zn4Ga4 cuboctahedra, edges with eight equivalent TiZn4Ga8 cuboctahedra, edges with eight equivalent ZnTi4Ga8 cuboctahedra, edges with eight equivalent GaTi4Zn4Ga4 cuboctahedra, faces with four equivalent TiZn4Ga8 cuboctahedra, faces with four equivalent ZnTi4Ga8 cuboctahedra, and faces with ten equivalent GaTi4Zn4Ga4 cuboctahedra. All Ga–Ga bond lengths are 2.81 Å.