Mo3Sb7 crystallizes in the cubic Im-3m space group. Mo(1) is bonded in a 8-coordinate geometry to four equivalent Sb(1) and four equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to three equivalent Mo(1) and four equivalent Sb(2) atoms.
Mo3Sb7 crystallizes in the cubic Im-3m space group. Mo(1) is bonded in a 8-coordinate geometry to four equivalent Sb(1) and four equivalent Sb(2) atoms. All Mo(1)-Sb(1) bond lengths are 2.85 Å. All Mo(1)-Sb(2) bond lengths are 2.79 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to three equivalent Mo(1) and four equivalent Sb(2) atoms. There is one shorter (2.98 Å) and three longer (3.09 Å) Sb(2)-Sb(2) bond lengths.