Hf6Cu7Zn16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Cu(2), four equivalent Zn(1), and four equivalent Zn(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded to four equivalent Hf(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of distorted face and corner-sharing CuHf4Zn8 cuboctahedra. In the second Cu site, Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1), three equivalent Cu(2), and three equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Cu(1), three equivalent Cu(2), three equivalent Zn(1), and three equivalent Zn(2) atoms.
Hf6Cu7Zn16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Cu(2), four equivalent Zn(1), and four equivalent Zn(2) atoms. All Hf(1)-Cu(2) bond lengths are 3.10 Å. All Hf(1)-Zn(1) bond lengths are 3.05 Å. All Hf(1)-Zn(2) bond lengths are 2.85 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded to four equivalent Hf(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of distorted face and corner-sharing CuHf4Zn8 cuboctahedra. All Cu(2)-Zn(1) bond lengths are 2.65 Å. All Cu(2)-Zn(2) bond lengths are 2.46 Å. In the second Cu site, Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. All Cu(1)-Zn(1) bond lengths are 2.50 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1), three equivalent Cu(2), and three equivalent Zn(1) atoms. All Zn(2)-Zn(1) bond lengths are 2.70 Å. In the second Zn site, Zn(1) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Cu(1), three equivalent Cu(2), three equivalent Zn(1), and three equivalent Zn(2) atoms. All Zn(1)-Zn(1) bond lengths are 2.89 Å.