Materials Data on Fe2SiNi by Materials Project

Abstract

Fe2NiSi is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to four equivalent Fe, four equivalent Ni, and six equivalent Si atoms. All Fe–Fe bond lengths are 2.44 Å. All Fe–Ni bond lengths are 2.44 Å. All Fe–Si bond lengths are 2.82 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to four equivalent Fe, six equivalent Ni, and four equivalent Si atoms. All Fe–Ni bond lengths are 2.82 Å. All Fe–Si bond lengths are 2.44 Å. Ni is bonded in a distorted body-centered cubic geometry to ten Fe and four equivalent Si atoms. All Ni–Si bond lengths are 2.44 Å. Si is bonded in a distorted body-centered cubic geometry to ten Fe and four equivalent Ni atoms.