Materials Data on V6FeNi by Materials Project

Abstract

V6FeNi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V, two equivalent Fe, and two equivalent Ni atoms. There are one shorter (2.31 Å) and one longer (2.35 Å) V–V bond lengths. Both V–Fe bond lengths are 2.60 Å. Both V–Ni bond lengths are 2.61 Å. Fe is bonded to twelve equivalent V atoms to form FeV12 cuboctahedra that share edges with six equivalent FeV12 cuboctahedra and faces with eight equivalent NiV12 cuboctahedra. Ni is bonded to twelve equivalent V atoms to form NiV12 cuboctahedra that share edges with six equivalent NiV12 cuboctahedra and faces with eight equivalent FeV12 cuboctahedra.