NbSb2 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 8-coordinate geometry to three equivalent Sb(2) and five equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Nb(1) and three equivalent Sb(2) atoms.
NbSb2 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 8-coordinate geometry to three equivalent Sb(2) and five equivalent Sb(1) atoms. There are two shorter (2.86 Å) and one longer (2.92 Å) Nb(1)-Sb(2) bond length. There are a spread of Nb(1)-Sb(1) bond distances ranging from 2.93-3.00 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Nb(1) and three equivalent Sb(2) atoms. There is one shorter (2.81 Å) and two longer (3.06 Å) Sb(2)-Sb(2) bond lengths.