LaNi4Cu crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), twelve equivalent Ni(2), and three equivalent Cu(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent La(1), six equivalent Ni(2), and three equivalent Cu(1) atoms to form distorted NiLa3Cu3Ni6 cuboctahedra that share corners with nine equivalent Cu(1)La3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)La4Cu2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Cu3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Cu3Ni6 cuboctahedra, faces with three equivalent Cu(1)La3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Cu2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Cu(1) atoms to form NiLa4Cu2Ni6 cuboctahedra that share corners with four equivalent Ni(1)La3Cu3Ni6 cuboctahedra, corners with four equivalent Cu(1)La3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)La4Cu2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Cu2Ni6 cuboctahedra, faces with six equivalent Ni(1)La3Cu3Ni6 cuboctahedra, faces with six equivalent Cu(1)La3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)La4Cu2Ni6 cuboctahedra. Cu(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted CuLa3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)La3Cu3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)La4Cu2Ni6 cuboctahedra, edges with six equivalent Cu(1)La3Ni9 cuboctahedra, faces with two equivalent Cu(1)La3Ni9 cuboctahedra, faces with three equivalent Ni(1)La3Cu3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Cu2Ni6 cuboctahedra.
LaNi4Cu crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), twelve equivalent Ni(2), and three equivalent Cu(1) atoms. All La(1)-Ni(1) bond lengths are 2.88 Å. All La(1)-Ni(2) bond lengths are 3.18 Å. All La(1)-Cu(1) bond lengths are 2.88 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent La(1), six equivalent Ni(2), and three equivalent Cu(1) atoms to form distorted NiLa3Cu3Ni6 cuboctahedra that share corners with nine equivalent Cu(1)La3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)La4Cu2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Cu3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Cu3Ni6 cuboctahedra, faces with three equivalent Cu(1)La3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Cu2Ni6 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.44 Å. All Ni(1)-Cu(1) bond lengths are 2.88 Å. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Cu(1) atoms to form NiLa4Cu2Ni6 cuboctahedra that share corners with four equivalent Ni(1)La3Cu3Ni6 cuboctahedra, corners with four equivalent Cu(1)La3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)La4Cu2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Cu2Ni6 cuboctahedra, faces with six equivalent Ni(1)La3Cu3Ni6 cuboctahedra, faces with six equivalent Cu(1)La3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)La4Cu2Ni6 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.51 Å) Ni(2)-Ni(2) bond lengths. Both Ni(2)-Cu(1) bond lengths are 2.45 Å. Cu(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted CuLa3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)La3Cu3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)La4Cu2Ni6 cuboctahedra, edges with six equivalent Cu(1)La3Ni9 cuboctahedra, faces with two equivalent Cu(1)La3Ni9 cuboctahedra, faces with three equivalent Ni(1)La3Cu3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Cu2Ni6 cuboctahedra.