Li13In3 crystallizes in the cubic Fd-3m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(3) and four equivalent In(2) atoms. 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 in a 11-coordinate geometry to one Li(1), six equivalent Li(4), one In(1), and three equivalent In(2) atoms. In the fourth Li site, Li(4) is bonded in a distorted water-like geometry to four equivalent Li(3), one In(1), and two equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), four equivalent Li(3), and six equivalent Li(4) atoms. In the second In site, In(2) is bonded in a distorted body-centered cubic geometry to two equivalent Li(1), six equivalent Li(3), and six equivalent Li(4) atoms.
Li13In3 crystallizes in the cubic Fd-3m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(3) and four equivalent In(2) atoms. All Li(1)-Li(3) bond lengths are 2.73 Å. All Li(1)-In(2) bond lengths are 2.86 Å. 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 2.86 Å. In the third Li site, Li(3) is bonded in a 11-coordinate geometry to one Li(1), six equivalent Li(4), one In(1), and three equivalent In(2) atoms. There are three shorter (2.85 Å) and three longer (2.89 Å) Li(3)-Li(4) bond lengths. The Li(3)-In(1) bond length is 2.99 Å. All Li(3)-In(2) bond lengths are 3.23 Å. In the fourth Li site, Li(4) is bonded in a distorted water-like geometry to four equivalent Li(3), one In(1), and two equivalent In(2) atoms. The Li(4)-In(1) bond length is 3.26 Å. Both Li(4)-In(2) bond lengths are 2.89 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), four equivalent Li(3), and six equivalent Li(4) atoms. In the second In site, In(2) is bonded in a distorted body-centered cubic geometry to two equivalent Li(1), six equivalent Li(3), and six equivalent Li(4) atoms.