Li3Sb is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to three equivalent Li(2), four equivalent Li(1), and four equivalent Sb(1) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to six equivalent Li(1) and three equivalent Sb(1) atoms. Sb(1) is bonded in a 11-coordinate geometry to three equivalent Li(2) and eight equivalent Li(1) atoms.
Li3Sb is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to three equivalent Li(2), four equivalent Li(1), and four equivalent Sb(1) atoms. All Li(1)-Li(2) bond lengths are 3.02 Å. There is one shorter (2.70 Å) and three longer (3.06 Å) Li(1)-Li(1) bond lengths. There is one shorter (2.80 Å) and three longer (3.02 Å) Li(1)-Sb(1) bond lengths. In the second Li site, Li(2) is bonded in a trigonal planar geometry to six equivalent Li(1) and three equivalent Sb(1) atoms. All Li(2)-Sb(1) bond lengths are 2.70 Å. Sb(1) is bonded in a 11-coordinate geometry to three equivalent Li(2) and eight equivalent Li(1) atoms.