Materials Data on FeNiMo by Materials Project
NiFeMo is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo is bonded to four equivalent Fe and six equivalent Ni atoms to form a mixture of distorted face and corner-sharing MoFe4Ni6 tetrahedra. All Mo–Fe bond lengths are 2.42 Å. All Mo–Ni bond lengths are 2.79 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Ni atoms. All Fe–Ni bond lengths are 2.42 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Mo and four equivalent Fe atoms.
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