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Hf2MoPt crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2MoPt ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Mo and one Pt atom. The Hf–Mo bond length is 2.41 Å. The Hf–Pt bond length is 2.54 Å. Mo is bonded in a linear geometry to two equivalent Hf atoms. Pt is bonded in a linear geometry to two equivalent Hf atoms.
Hf2MoPt 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 Mo and four equivalent Pt atoms. All Hf–Mo bond lengths are 2.86 Å. All Hf–Pt bond lengths are 2.86 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Pt is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.