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Hf2RePd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2RePd ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Re and one Pd atom. The Hf–Re bond length is 2.32 Å. The Hf–Pd bond length is 2.55 Å. Re is bonded in a linear geometry to two equivalent Hf atoms. Pd is bonded in a linear geometry to two equivalent Hf atoms.
Hf2RePd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Pd atoms. All Hf–Re bond lengths are 2.86 Å. All Hf–Pd bond lengths are 2.86 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.