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DOE OSTI2020

Materials Data on LiCa2Ga by Materials Project

LiCa2Ga 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 3.24 Å. Ca is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Ca–Ga bond lengths are 3.24 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2CaGa by Materials Project

Li2CaGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2CaGa ribbons oriented in the (0, 1, 0) direction. Li is bonded in a distorted linear geometry to one Ca and one Ga atom. The Li–Ca bond length is 3.49 Å. The Li–Ga bond length is 2.70 Å. Ca is bonded in a linear geometry to two equivalent Li atoms. Ga is bonded in a linear geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗