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Li2CdIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2CdIn ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to one Cd and one In atom. The Li–Cd bond length is 2.90 Å. The Li–In bond length is 2.86 Å. Cd is bonded in a linear geometry to two equivalent Li atoms. In is bonded in a linear geometry to two equivalent Li atoms.
Li2CdIn is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent In atoms to form distorted corner-sharing LiIn4 tetrahedra. All Li–In bond lengths are 2.95 Å. In the second Li site, Li is bonded to four equivalent Cd atoms to form distorted corner-sharing LiCd4 tetrahedra. All Li–Cd bond lengths are 2.95 Å. Cd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Cd–In bond lengths are 2.95 Å. In is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms.
Li2CdIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent In atoms. All Li–Cd bond lengths are 2.90 Å. All Li–In bond lengths are 2.90 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. In is bonded in a body-centered cubic geometry to eight equivalent Li atoms.