Materials Data on Li2MgIr by Materials Project
Li2MgIr crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Li–Li bond lengths are 2.46 Å. All Li–Ir bond lengths are 2.66 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Ir atoms to form distorted edge-sharing LiLi4Ir4 tetrahedra. All Li–Li bond lengths are 2.62 Å. All Li–Ir bond lengths are 2.68 Å. In the third Li site, Li is bonded in a 11-coordinate geometry to four Li, four Mg, and six equivalent Ir atoms. There are three shorter (2.78 Å) and one longer (2.92 Å) Li–Mg bond lengths. There are three shorter (2.96 Å) and three longer (3.26 Å) Li–Ir bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Mg–Ir bond lengths are 2.72 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Mg–Ir bond lengths are 2.70 Å. Ir is bonded in a distorted body-centered cubic geometry to ten Li and four Mg atoms.