LaNi3CuAl crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1), three equivalent Cu(1), and three equivalent Al(1) atoms. Ni(1) is bonded to four equivalent La(1), four equivalent Ni(1), two equivalent Cu(1), and two equivalent Al(1) atoms to form distorted NiLa4Al2Cu2Ni4 cuboctahedra that share corners with four equivalent Cu(1)La3Al3Ni6 cuboctahedra, corners with sixteen equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, edges with ten equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, faces with six equivalent Cu(1)La3Al3Ni6 cuboctahedra, and faces with ten equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra. Cu(1) is bonded to three equivalent La(1), six equivalent Ni(1), and three equivalent Al(1) atoms to form distorted CuLa3Al3Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, edges with six equivalent Cu(1)La3Al3Ni6 cuboctahedra, faces with two equivalent Cu(1)La3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra. Al(1) is bonded in a 6-coordinate geometry to three equivalent La(1), six equivalent Ni(1), and three equivalent Cu(1) atoms.
LaNi3CuAl crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1), three equivalent Cu(1), and three equivalent Al(1) atoms. All La(1)-Ni(1) bond lengths are 3.25 Å. All La(1)-Cu(1) bond lengths are 3.02 Å. All La(1)-Al(1) bond lengths are 3.02 Å. Ni(1) is bonded to four equivalent La(1), four equivalent Ni(1), two equivalent Cu(1), and two equivalent Al(1) atoms to form distorted NiLa4Al2Cu2Ni4 cuboctahedra that share corners with four equivalent Cu(1)La3Al3Ni6 cuboctahedra, corners with sixteen equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, edges with ten equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, faces with six equivalent Cu(1)La3Al3Ni6 cuboctahedra, and faces with ten equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra. There are two shorter (2.60 Å) and two longer (2.63 Å) Ni(1)-Ni(1) bond lengths. Both Ni(1)-Cu(1) bond lengths are 2.44 Å. Both Ni(1)-Al(1) bond lengths are 2.45 Å. Cu(1) is bonded to three equivalent La(1), six equivalent Ni(1), and three equivalent Al(1) atoms to form distorted CuLa3Al3Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, edges with six equivalent Cu(1)La3Al3Ni6 cuboctahedra, faces with two equivalent Cu(1)La3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra. All Cu(1)-Al(1) bond lengths are 3.02 Å. Al(1) is bonded in a 6-coordinate geometry to three equivalent La(1), six equivalent Ni(1), and three equivalent Cu(1) atoms.