Materials Data on Fe11Si5 by Materials Project

Abstract

Fe11Si5 is Tungsten-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to three equivalent Fe and five Si atoms. All Fe–Fe bond lengths are 2.42 Å. There are a spread of Fe–Si bond distances ranging from 2.39–2.44 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and six Si atoms. All Fe–Si bond lengths are 2.79 Å. There are five inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to twelve Fe atoms. All Si–Fe bond lengths are 2.79 Å. In the third Si site, Si is bonded in a distorted body-centered cubic geometry to twelve Fe atoms. In the fourth Si site, Si is bonded in a distorted body-centered cubic geometry to twelve Fe atoms. In the fifth Si site, Si is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.