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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfSiNi by Materials Project

NiHfSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to six equivalent Ni and four equivalent Si atoms. All Hf–Ni bond lengths are 2.94 Å. All Hf–Si bond lengths are 2.54 Å. Ni is bonded in a distorted q6 geometry to six equivalent Hf and four equivalent Si atoms. All Ni–Si bond lengths are 2.54 Å. Si is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSiNi by Materials Project

NiHfSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ni and five equivalent Si atoms. There are a spread of Hf–Ni bond distances ranging from 2.82–3.04 Å. There are a spread of Hf–Si bond distances ranging from 2.70–2.74 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Ni, and four equivalent Si atoms. Both Ni–Ni bond lengths are 2.76 Å. There are a spread of Ni–Si bond distances ranging from 2.35–2.49 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗