Zr5Sb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to five equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms.
Zr5Sb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to five equivalent Sb(1) atoms. There are a spread of Zr(1)-Sb(1) bond distances ranging from 2.89-3.10 Å. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Sb(1) atoms. All Zr(2)-Sb(1) bond lengths are 3.01 Å. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms.