Hf5Sb9 crystallizes in the tetragonal P4/n space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Sb(3), four equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to one Sb(3), three equivalent Sb(1), and four equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Hf(1) and three equivalent Hf(2) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Hf(2) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Hf(2) atoms.
Hf5Sb9 crystallizes in the tetragonal P4/n space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Sb(3), four equivalent Sb(1), and four equivalent Sb(2) atoms. The Hf(1)-Sb(3) bond length is 3.06 Å. All Hf(1)-Sb(1) bond lengths are 3.08 Å. All Hf(1)-Sb(2) bond lengths are 3.01 Å. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to one Sb(3), three equivalent Sb(1), and four equivalent Sb(2) atoms. The Hf(2)-Sb(3) bond length is 2.95 Å. There are a spread of Hf(2)-Sb(1) bond distances ranging from 2.91-3.19 Å. There are a spread of Hf(2)-Sb(2) bond distances ranging from 2.93-3.06 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Hf(1) and three equivalent Hf(2) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Hf(2) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Hf(2) atoms.