HfMoSb4 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 9-coordinate geometry to one Mo(1), one Sb(2), two equivalent Sb(1), two equivalent Sb(4), and three equivalent Sb(3) atoms. Mo(1) is bonded in a 9-coordinate geometry to one Hf(1), one Sb(1), two equivalent Sb(2), two equivalent Sb(3), and three equivalent Sb(4) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to two equivalent Hf(1), one Mo(1), and three equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Hf(1), two equivalent Mo(1), and three equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to three equivalent Hf(1) and two equivalent Mo(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to two equivalent Hf(1) and three equivalent Mo(1) atoms.
HfMoSb4 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 9-coordinate geometry to one Mo(1), one Sb(2), two equivalent Sb(1), two equivalent Sb(4), and three equivalent Sb(3) atoms. The Hf(1)-Mo(1) bond length is 3.20 Å. The Hf(1)-Sb(2) bond length is 2.97 Å. Both Hf(1)-Sb(1) bond lengths are 2.94 Å. Both Hf(1)-Sb(4) bond lengths are 2.98 Å. There are two shorter (2.98 Å) and one longer (3.01 Å) Hf(1)-Sb(3) bond length. Mo(1) is bonded in a 9-coordinate geometry to one Hf(1), one Sb(1), two equivalent Sb(2), two equivalent Sb(3), and three equivalent Sb(4) atoms. The Mo(1)-Sb(1) bond length is 2.85 Å. Both Mo(1)-Sb(2) bond lengths are 2.79 Å. Both Mo(1)-Sb(3) bond lengths are 2.87 Å. There are two shorter (2.91 Å) and one longer (3.01 Å) Mo(1)-Sb(4) bond length. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to two equivalent Hf(1), one Mo(1), and three equivalent Sb(2) atoms. There is one shorter (2.83 Å) and two longer (3.05 Å) Sb(1)-Sb(2) bond lengths. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Hf(1), two equivalent Mo(1), and three equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to three equivalent Hf(1) and two equivalent Mo(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to two equivalent Hf(1) and three equivalent Mo(1) atoms.