Materials Data on KHfNi by Materials Project
KHfNi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ni atoms. All K–Hf bond lengths are 2.81 Å. All K–Ni bond lengths are 2.81 Å. Hf is bonded in a 4-coordinate geometry to four equivalent K and six equivalent Ni atoms. All Hf–Ni bond lengths are 3.25 Å. Ni is bonded to four equivalent K and six equivalent Hf atoms to form a mixture of distorted face and corner-sharing NiK4Hf6 tetrahedra.
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