Li2Sb crystallizes in the hexagonal P-62c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form a mixture of distorted edge and corner-sharing LiSb4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one 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 9-coordinate geometry to three equivalent Li(2) and six equivalent Li(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Li(2) atoms.
Li2Sb crystallizes in the hexagonal P-62c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form a mixture of distorted edge and corner-sharing LiSb4 tetrahedra. Both Li(1)-Sb(1) bond lengths are 2.84 Å. Both Li(1)-Sb(2) bond lengths are 2.84 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. The Li(2)-Sb(1) bond length is 2.92 Å. There are two shorter (2.98 Å) and two longer (3.05 Å) Li(2)-Sb(2) bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to three equivalent Li(2) and six equivalent Li(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Li(2) atoms.