Zr2Cu crystallizes in the cubic Fd-3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to three equivalent Zr(2), six equivalent Zr(1), and three equivalent Cu(1) atoms.
Zr2Cu crystallizes in the cubic Fd-3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. There are two shorter (2.90 Å) and two longer (3.19 Å) Zr(1)-Cu(1) bond lengths. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. All Zr(2)-Cu(1) bond lengths are 2.66 Å. Cu(1) is bonded in a 12-coordinate geometry to three equivalent Zr(2), six equivalent Zr(1), and three equivalent Cu(1) atoms. All Cu(1)-Cu(1) bond lengths are 2.91 Å.