La2NiCu3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent Ni(1), two equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms to form LaCu10Ni2 cuboctahedra that share edges with four equivalent La(1)Cu10Ni2 cuboctahedra, edges with eight equivalent La(2)Cu8Ni4 cuboctahedra, faces with four equivalent La(1)Cu10Ni2 cuboctahedra, and faces with four equivalent La(2)Cu8Ni4 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Ni(1), two equivalent Cu(1), two equivalent Cu(2), and four equivalent Cu(3) atoms to form LaCu8Ni4 cuboctahedra that share edges with four equivalent La(2)Cu8Ni4 cuboctahedra, edges with eight equivalent La(1)Cu10Ni2 cuboctahedra, faces with four equivalent La(1)Cu10Ni2 cuboctahedra, and faces with four equivalent La(2)Cu8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Cu(3), and two equivalent Cu(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Cu(2), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), two equivalent Ni(1), and one Cu(1) atom. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Ni(1), and two equivalent Cu(1) atoms.
La2NiCu3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent Ni(1), two equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms to form LaCu10Ni2 cuboctahedra that share edges with four equivalent La(1)Cu10Ni2 cuboctahedra, edges with eight equivalent La(2)Cu8Ni4 cuboctahedra, faces with four equivalent La(1)Cu10Ni2 cuboctahedra, and faces with four equivalent La(2)Cu8Ni4 cuboctahedra. Both La(1)-Ni(1) bond lengths are 3.03 Å. Both La(1)-Cu(3) bond lengths are 3.19 Å. All La(1)-Cu(1) bond lengths are 3.16 Å. All La(1)-Cu(2) bond lengths are 3.11 Å. In the second La site, La(2) is bonded to four equivalent Ni(1), two equivalent Cu(1), two equivalent Cu(2), and four equivalent Cu(3) atoms to form LaCu8Ni4 cuboctahedra that share edges with four equivalent La(2)Cu8Ni4 cuboctahedra, edges with eight equivalent La(1)Cu10Ni2 cuboctahedra, faces with four equivalent La(1)Cu10Ni2 cuboctahedra, and faces with four equivalent La(2)Cu8Ni4 cuboctahedra. All La(2)-Ni(1) bond lengths are 3.12 Å. Both La(2)-Cu(1) bond lengths are 3.16 Å. Both La(2)-Cu(2) bond lengths are 3.05 Å. All La(2)-Cu(3) bond lengths are 3.14 Å. Ni(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Cu(3), and two equivalent Cu(2) atoms. The Ni(1)-Cu(3) bond length is 2.44 Å. Both Ni(1)-Cu(2) bond lengths are 2.44 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Cu(2), and two equivalent Cu(3) atoms. The Cu(1)-Cu(2) bond length is 2.46 Å. Both Cu(1)-Cu(3) bond lengths are 2.47 Å. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), two equivalent Ni(1), and one Cu(1) atom. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Ni(1), and two equivalent Cu(1) atoms.