Mg3Sb2 crystallizes in the cubic Ia-3 space group. Mg(1) is bonded to one Sb(1) and three equivalent Sb(2) atoms to form a mixture of edge and corner-sharing MgSb4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Mg(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to six equivalent Mg(1) atoms.
Mg3Sb2 crystallizes in the cubic Ia-3 space group. Mg(1) is bonded to one Sb(1) and three equivalent Sb(2) atoms to form a mixture of edge and corner-sharing MgSb4 tetrahedra. The Mg(1)-Sb(1) bond length is 2.86 Å. There are a spread of Mg(1)-Sb(2) bond distances ranging from 2.83-2.91 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Mg(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to six equivalent Mg(1) atoms.