Zr2Cu3Sb crystallizes in the tetragonal P4/mmm space group. Zr(1) is bonded to four equivalent Zr(1), one Cu(1), and one Cu(2) atom to form distorted ZrZr4Cu2 octahedra that share  a cornercorner with one Sb(1)Cu2Sb4 octahedra, corners with five equivalent Zr(1)Zr4Cu2 octahedra, edges with four equivalent Zr(1)Zr4Cu2 octahedra, edges with four equivalent Cu(2)Zr2Cu4 octahedra, and edges with four equivalent Cu(1)ZrCu4Sb octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Zr(1), four equivalent Cu(1), and one Sb(1) atom to form distorted CuZrCu4Sb octahedra that share  a cornercorner with one Cu(2)Zr2Cu4 octahedra, corners with five equivalent Cu(1)ZrCu4Sb octahedra, edges with four equivalent Zr(1)Zr4Cu2 octahedra, edges with four equivalent Cu(1)ZrCu4Sb octahedra, and edges with four equivalent Sb(1)Cu2Sb4 octahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to two equivalent Zr(1) and four equivalent Cu(2) atoms to form distorted CuZr2Cu4 octahedra that share corners with two equivalent Cu(1)ZrCu4Sb octahedra, corners with four equivalent Cu(2)Zr2Cu4 octahedra, edges with four equivalent Cu(2)Zr2Cu4 octahedra, and edges with eight equivalent Zr(1)Zr4Cu2 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to two equivalent Cu(1) and four equivalent Sb(1) atoms to form SbCu2Sb4 octahedra that share corners with two equivalent Zr(1)Zr4Cu2 octahedra, corners with four equivalent Sb(1)Cu2Sb4 octahedra, edges with four equivalent Sb(1)Cu2Sb4 octahedra, and edges with eight equivalent Cu(1)ZrCu4Sb octahedra. The corner-sharing octahedra are not tilted.
Zr2Cu3Sb crystallizes in the tetragonal P4/mmm space group. Zr(1) is bonded to four equivalent Zr(1), one Cu(1), and one Cu(2) atom to form distorted ZrZr4Cu2 octahedra that share  a cornercorner with one Sb(1)Cu2Sb4 octahedra, corners with five equivalent Zr(1)Zr4Cu2 octahedra, edges with four equivalent Zr(1)Zr4Cu2 octahedra, edges with four equivalent Cu(2)Zr2Cu4 octahedra, and edges with four equivalent Cu(1)ZrCu4Sb octahedra. The corner-sharing octahedra are not tilted. All Zr(1)-Zr(1) bond lengths are 2.80 Å. The Zr(1)-Cu(1) bond length is 2.63 Å. The Zr(1)-Cu(2) bond length is 2.77 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Zr(1), four equivalent Cu(1), and one Sb(1) atom to form distorted CuZrCu4Sb octahedra that share  a cornercorner with one Cu(2)Zr2Cu4 octahedra, corners with five equivalent Cu(1)ZrCu4Sb octahedra, edges with four equivalent Zr(1)Zr4Cu2 octahedra, edges with four equivalent Cu(1)ZrCu4Sb octahedra, and edges with four equivalent Sb(1)Cu2Sb4 octahedra. The corner-sharing octahedra are not tilted. All Cu(1)-Cu(1) bond lengths are 2.80 Å. The Cu(1)-Sb(1) bond length is 2.66 Å. In the second Cu site, Cu(2) is bonded to two equivalent Zr(1) and four equivalent Cu(2) atoms to form distorted CuZr2Cu4 octahedra that share corners with two equivalent Cu(1)ZrCu4Sb octahedra, corners with four equivalent Cu(2)Zr2Cu4 octahedra, edges with four equivalent Cu(2)Zr2Cu4 octahedra, and edges with eight equivalent Zr(1)Zr4Cu2 octahedra. The corner-sharing octahedra are not tilted. All Cu(2)-Cu(2) bond lengths are 2.80 Å. Sb(1) is bonded to two equivalent Cu(1) and four equivalent Sb(1) atoms to form SbCu2Sb4 octahedra that share corners with two equivalent Zr(1)Zr4Cu2 octahedra, corners with four equivalent Sb(1)Cu2Sb4 octahedra, edges with four equivalent Sb(1)Cu2Sb4 octahedra, and edges with eight equivalent Cu(1)ZrCu4Sb octahedra. The corner-sharing octahedra are not tilted. All Sb(1)-Sb(1) bond lengths are 2.80 Å.