Materials Data on LiCa2Ir by Materials Project
LiCa2Ir 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 eight equivalent Ca atoms. All Li–Ca bond lengths are 3.06 Å. Ca is bonded to four equivalent Li and four equivalent Ir atoms to form a mixture of distorted edge, face, and corner-sharing CaLi4Ir4 tetrahedra. All Ca–Ir bond lengths are 3.06 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
36 MATERIALS SCIENCE↗