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DOE OSTI2020

Materials Data on LiCuPd2 by Materials Project

LiPd2Cu 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 Pd and six equivalent Cu atoms. All Li–Pd bond lengths are 2.61 Å. All Li–Cu bond lengths are 3.01 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Cu atoms. All Pd–Cu bond lengths are 2.61 Å. Cu is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiCu2Pd by Materials Project

LiPdCu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiPdCu2 ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Cu atoms. Both Li–Cu bond lengths are 2.50 Å. Pd is bonded in a linear geometry to two equivalent Cu atoms. Both Pd–Cu bond lengths are 2.37 Å. Cu is bonded in a linear geometry to one Li and one Pd atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li2CuPd by Materials Project

Li2PdCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2PdCu ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to one Pd and one Cu atom. The Li–Pd bond length is 2.43 Å. The Li–Cu bond length is 2.45 Å. Pd is bonded in a linear geometry to two equivalent Li atoms. Cu is bonded in a linear geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗