Li5In4 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent In(2) atoms to form a mixture of distorted edge and corner-sharing LiIn4 tetrahedra. In the second Li site, Li(2) is bonded in a distorted linear geometry to two equivalent In(1) atoms. In the third Li site, Li(3) is bonded to one In(2) and three equivalent In(1) atoms to form distorted corner-sharing LiIn4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Li(2) and three equivalent Li(3) atoms to form distorted corner-sharing InLi4 tetrahedra. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Li(3) and four equivalent Li(1) atoms.
Li5In4 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent In(2) atoms to form a mixture of distorted edge and corner-sharing LiIn4 tetrahedra. There are three shorter (2.84 Å) and one longer (2.89 Å) Li(1)-In(2) bond length. In the second Li site, Li(2) is bonded in a distorted linear geometry to two equivalent In(1) atoms. Both Li(2)-In(1) bond lengths are 2.94 Å. In the third Li site, Li(3) is bonded to one In(2) and three equivalent In(1) atoms to form distorted corner-sharing LiIn4 tetrahedra. The Li(3)-In(2) bond length is 3.01 Å. All Li(3)-In(1) bond lengths are 2.94 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Li(2) and three equivalent Li(3) atoms to form distorted corner-sharing InLi4 tetrahedra. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Li(3) and four equivalent Li(1) atoms.