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Materials Data on LiCa2Rh by Materials Project

LiCa2Rh 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 3.10 Å. Ca is bonded to four equivalent Li and four equivalent Rh atoms to form a mixture of distorted edge, face, and corner-sharing CaLi4Rh4 tetrahedra. All Ca–Rh bond lengths are 3.10 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗

Materials Data on LiCaRh by Materials Project

LiCaRh is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Rh atoms. All Li–Ca bond lengths are 2.69 Å. All Li–Rh bond lengths are 2.69 Å. Ca is bonded in a distorted q6 geometry to four equivalent Li and six equivalent Rh atoms. All Ca–Rh bond lengths are 3.10 Å. Rh is bonded in a 4-coordinate geometry to four equivalent Li and six equivalent Ca atoms.

36 MATERIALS SCIENCE↗