Al2NiTi3C crystallizes in the cubic Fd-3m space group. Ti(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1), four equivalent Al(1), and two equivalent C(1) atoms. Ni(1) is bonded to six equivalent Ti(1) and six equivalent Al(1) atoms to form distorted NiTi6Al6 cuboctahedra that share edges with six equivalent C(1)Ti6 octahedra and faces with six equivalent Ni(1)Ti6Al6 cuboctahedra. Al(1) is bonded in a 12-coordinate geometry to six equivalent Ti(1), three equivalent Ni(1), and three equivalent Al(1) atoms. C(1) is bonded to six equivalent Ti(1) atoms to form CTi6 octahedra that share corners with six equivalent C(1)Ti6 octahedra and edges with six equivalent Ni(1)Ti6Al6 cuboctahedra. The corner-sharing octahedral tilt angles are 40°.
Al2NiTi3C crystallizes in the cubic Fd-3m space group. Ti(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1), four equivalent Al(1), and two equivalent C(1) atoms. Both Ti(1)-Ni(1) bond lengths are 2.94 Å. There are two shorter (2.72 Å) and two longer (2.94 Å) Ti(1)-Al(1) bond lengths. Both Ti(1)-C(1) bond lengths are 2.15 Å. Ni(1) is bonded to six equivalent Ti(1) and six equivalent Al(1) atoms to form distorted NiTi6Al6 cuboctahedra that share edges with six equivalent C(1)Ti6 octahedra and faces with six equivalent Ni(1)Ti6Al6 cuboctahedra. All Ni(1)-Al(1) bond lengths are 2.48 Å. Al(1) is bonded in a 12-coordinate geometry to six equivalent Ti(1), three equivalent Ni(1), and three equivalent Al(1) atoms. All Al(1)-Al(1) bond lengths are 2.69 Å. C(1) is bonded to six equivalent Ti(1) atoms to form CTi6 octahedra that share corners with six equivalent C(1)Ti6 octahedra and edges with six equivalent Ni(1)Ti6Al6 cuboctahedra. The corner-sharing octahedral tilt angles are 40°.