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PtHf is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Hf–Pt bond lengths are 2.88 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
PtHf crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are a spread of Hf–Pt bond distances ranging from 2.74–2.97 Å. Pt is bonded in a 7-coordinate geometry to seven equivalent Hf atoms.