Li3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 14-coordinate geometry to eight equivalent Li(2) and six equivalent Sb(1) atoms. In the second Li site, Li(2) is bonded to four equivalent Li(1) and four equivalent Sb(1) atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Sb4 tetrahedra. Sb(1) is bonded in a body-centered cubic geometry to six equivalent Li(1) and eight equivalent Li(2) atoms.
Li3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 14-coordinate geometry to eight equivalent Li(2) and six equivalent Sb(1) atoms. All Li(1)-Li(2) bond lengths are 2.83 Å. All Li(1)-Sb(1) bond lengths are 3.27 Å. In the second Li site, Li(2) is bonded to four equivalent Li(1) and four equivalent Sb(1) atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Sb4 tetrahedra. All Li(2)-Sb(1) bond lengths are 2.83 Å. Sb(1) is bonded in a body-centered cubic geometry to six equivalent Li(1) and eight equivalent Li(2) atoms.