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Li2PtGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2PtGe ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to one Pt and one Ge atom. The Li–Pt bond length is 2.41 Å. The Li–Ge bond length is 2.57 Å. Pt is bonded in a linear geometry to two equivalent Li atoms. Ge is bonded in a linear geometry to two equivalent Li atoms.
Li2PtGe 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 four equivalent Pt and four equivalent Ge atoms. All Li–Pt bond lengths are 2.60 Å. All Li–Ge bond lengths are 2.60 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Li atoms.