Li2MgTl crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 14-coordinate geometry to four equivalent Li(2), four equivalent Mg(1), and six equivalent Tl(1) atoms. In the second Li site, Li(2) is bonded to four equivalent Li(1) and four equivalent Tl(1) atoms to form distorted edge-sharing LiLi4Tl4 tetrahedra. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Tl(1) atoms. Tl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Mg(1) atoms.
Li2MgTl crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 14-coordinate geometry to four equivalent Li(2), four equivalent Mg(1), and six equivalent Tl(1) atoms. All Li(1)-Li(2) bond lengths are 2.93 Å. All Li(1)-Mg(1) bond lengths are 2.93 Å. All Li(1)-Tl(1) bond lengths are 3.38 Å. In the second Li site, Li(2) is bonded to four equivalent Li(1) and four equivalent Tl(1) atoms to form distorted edge-sharing LiLi4Tl4 tetrahedra. All Li(2)-Tl(1) bond lengths are 2.93 Å. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Tl(1) atoms. All Mg(1)-Tl(1) bond lengths are 2.93 Å. Tl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Mg(1) atoms.