NiFeMo is half-Heusler structured and crystallizes in the cubic F-43m space group. Mo(1) is bonded to four equivalent Fe(1) and six equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing MoFe4Ni6 tetrahedra. Fe(1) is bonded in a body-centered cubic geometry to four equivalent Mo(1) and four equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to six equivalent Mo(1) and four equivalent Fe(1) atoms.
NiFeMo is half-Heusler structured and crystallizes in the cubic F-43m space group. Mo(1) is bonded to four equivalent Fe(1) and six equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing MoFe4Ni6 tetrahedra. All Mo(1)-Fe(1) bond lengths are 2.42 Å. All Mo(1)-Ni(1) bond lengths are 2.79 Å. Fe(1) is bonded in a body-centered cubic geometry to four equivalent Mo(1) and four equivalent Ni(1) atoms. All Fe(1)-Ni(1) bond lengths are 2.42 Å. Ni(1) is bonded in a 10-coordinate geometry to six equivalent Mo(1) and four equivalent Fe(1) atoms.