Nd2(CoCu)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Cu(1), and eight equivalent Cu(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Co(3), and eight equivalent Cu(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(2), one Co(1), two equivalent Co(2), two equivalent Co(3), and four equivalent Cu(2) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Co(1), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the third Co site, Co(3) is bonded to four equivalent Nd(2), four equivalent Co(1), and four equivalent Cu(2) atoms to form CoNd4Co4Cu4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with four equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Nd(1), four equivalent Co(2), and four equivalent Cu(2) atoms to form CuNd4Co4Cu4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with four equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Co(3), two equivalent Co(1), two equivalent Co(2), one Cu(1), and two equivalent Cu(2) atoms to form CuNd4Co5Cu3 cuboctahedra that share corners with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with twelve equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, edges with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, edges with six equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, faces with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, and faces with six equivalent Cu(2)Nd4Co5Cu3 cuboctahedra.
Nd2(CoCu)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Cu(1), and eight equivalent Cu(2) atoms. Both Nd(1)-Co(1) bond lengths are 2.99 Å. All Nd(1)-Co(2) bond lengths are 2.91 Å. All Nd(1)-Cu(1) bond lengths are 3.25 Å. All Nd(1)-Cu(2) bond lengths are 3.24 Å. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Co(3), and eight equivalent Cu(2) atoms. Both Nd(2)-Co(2) bond lengths are 2.91 Å. All Nd(2)-Co(1) bond lengths are 2.87 Å. All Nd(2)-Co(3) bond lengths are 3.25 Å. All Nd(2)-Cu(2) bond lengths are 3.22 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(2), one Co(1), two equivalent Co(2), two equivalent Co(3), and four equivalent Cu(2) atoms. The Co(1)-Co(1) bond length is 2.68 Å. Both Co(1)-Co(2) bond lengths are 2.99 Å. Both Co(1)-Co(3) bond lengths are 2.43 Å. All Co(1)-Cu(2) bond lengths are 2.53 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Co(1), two equivalent Cu(1), and four equivalent Cu(2) atoms. Both Co(2)-Cu(1) bond lengths are 2.48 Å. All Co(2)-Cu(2) bond lengths are 2.51 Å. In the third Co site, Co(3) is bonded to four equivalent Nd(2), four equivalent Co(1), and four equivalent Cu(2) atoms to form CoNd4Co4Cu4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with four equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. All Co(3)-Cu(2) bond lengths are 2.50 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Nd(1), four equivalent Co(2), and four equivalent Cu(2) atoms to form CuNd4Co4Cu4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with four equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. All Cu(1)-Cu(2) bond lengths are 2.52 Å. In the second Cu site, Cu(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Co(3), two equivalent Co(1), two equivalent Co(2), one Cu(1), and two equivalent Cu(2) atoms to form CuNd4Co5Cu3 cuboctahedra that share corners with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with twelve equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, edges with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, edges with six equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, faces with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, and faces with six equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. Both Cu(2)-Cu(2) bond lengths are 2.54 Å.