HfSb crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to two equivalent Sb(2) and three equivalent Sb(1) atoms to form distorted corner-sharing HfSb5 trigonal bipyramids. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to two equivalent Sb(1) and five equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1) and four equivalent Hf(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Hf(1) and five equivalent Hf(2) atoms.
HfSb crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to two equivalent Sb(2) and three equivalent Sb(1) atoms to form distorted corner-sharing HfSb5 trigonal bipyramids. Both Hf(1)-Sb(2) bond lengths are 2.81 Å. There are two shorter (2.91 Å) and one longer (2.99 Å) Hf(1)-Sb(1) bond length. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to two equivalent Sb(1) and five equivalent Sb(2) atoms. Both Hf(2)-Sb(1) bond lengths are 2.93 Å. There are a spread of Hf(2)-Sb(2) bond distances ranging from 2.99-3.10 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1) and four equivalent Hf(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Hf(1) and five equivalent Hf(2) atoms.