Fe4Sb3 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), and three equivalent Sb(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), one Fe(2), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Fe(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Fe(2) atoms.
Fe4Sb3 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), and three equivalent Sb(2) atoms. The Fe(1)-Fe(1) bond length is 2.39 Å. The Fe(1)-Fe(2) bond length is 2.42 Å. All Fe(1)-Sb(2) bond lengths are 2.61 Å. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), one Fe(2), three equivalent Sb(1), and three equivalent Sb(2) atoms. The Fe(2)-Fe(2) bond length is 2.48 Å. All Fe(2)-Sb(1) bond lengths are 2.66 Å. All Fe(2)-Sb(2) bond lengths are 2.68 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Fe(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Fe(2) atoms.