Materials Data on V2FeGe by Materials Project

Abstract

V2FeGe is beta Uranium-derived structured and crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six V, four equivalent Fe, and four equivalent Ge atoms. There are a spread of V–V bond distances ranging from 2.31–2.91 Å. There are two shorter (2.82 Å) and two longer (2.90 Å) V–Fe bond lengths. There are two shorter (2.60 Å) and two longer (2.61 Å) V–Ge bond lengths. In the second V site, V is bonded in a 6-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ge atoms. There are a spread of V–Fe bond distances ranging from 2.29–2.82 Å. There are a spread of V–Ge bond distances ranging from 2.59–2.63 Å. Fe is bonded in a 2-coordinate geometry to eight V, two equivalent Fe, and four equivalent Ge atoms. Both Fe–Fe bond lengths are 2.87 Å. There are a spread of Fe–Ge bond distances ranging from 2.57–2.61 Å. Ge is bonded to eight V and four equivalent Fe atoms to form a mixture of edge and face-sharing GeV8Fe4 cuboctahedra.