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LiYPd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiYPd2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Pd atoms. Both Li–Pd bond lengths are 2.59 Å. Y is bonded in a linear geometry to two equivalent Pd atoms. Both Y–Pd bond lengths are 2.39 Å. Pd is bonded in a linear geometry to one Li and one Y atom.
LiY2Pd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiY2Pd ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Y atoms. Both Li–Y bond lengths are 3.32 Å. Y is bonded in a linear geometry to one Li and one Pd atom. The Y–Pd bond length is 2.48 Å. Pd is bonded in a linear geometry to two equivalent Y atoms.
LiYPd2 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 atoms. All Li–Pd bond lengths are 2.89 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Y–Pd bond lengths are 2.89 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Y atoms.