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Li2PtCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2PtCd ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to one Pt and one Cd atom. The Li–Pt bond length is 2.29 Å. The Li–Cd bond length is 3.12 Å. Pt is bonded in a linear geometry to two equivalent Li atoms. Cd is bonded in a linear geometry to two equivalent Li atoms.
Li2PtCd 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 Cd atoms. All Li–Pt bond lengths are 2.69 Å. All Li–Cd bond lengths are 2.69 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms.