Materials Data on V2FeSi by Materials Project

Abstract

V2FeSi 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 Si atoms. There are a spread of V–V bond distances ranging from 2.27–2.85 Å. There are two shorter (2.79 Å) and two longer (2.84 Å) V–Fe bond lengths. There are two shorter (2.56 Å) and two longer (2.58 Å) V–Si bond lengths. In the second V site, V is bonded in a 2-coordinate geometry to four equivalent V, two equivalent Fe, and four equivalent Si atoms. There are one shorter (2.27 Å) and one longer (2.34 Å) V–Fe bond lengths. There are one shorter (2.55 Å) and three longer (2.58 Å) V–Si bond lengths. Fe is bonded in a 2-coordinate geometry to six V and four equivalent Si atoms. There are a spread of Fe–Si bond distances ranging from 2.53–2.58 Å. Si is bonded to eight V and four equivalent Fe atoms to form a mixture of face and edge-sharing SiV8Fe4 cuboctahedra.