Materials Data on GaFe2Co4Si by Materials Project

Abstract

Fe2Co4GaSi is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are a spread of Fe–Co bond distances ranging from 2.41–2.51 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted body-centered cubic geometry to four equivalent Fe, one Ga, and three equivalent Si atoms. There are one shorter (2.41 Å) and three longer (2.49 Å) Co–Fe bond lengths. The Co–Ga bond length is 2.53 Å. All Co–Si bond lengths are 2.44 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe, three equivalent Ga, and one Si atom. All Co–Ga bond lengths are 2.48 Å. The Co–Si bond length is 2.38 Å. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to four equivalent Fe, one Ga, and three equivalent Si atoms. The Co–Ga bond length is 2.53 Å. All Co–Si bond lengths are 2.44 Å. In the fourth Co site, Co is bonded in a distorted body-centered cubic geometry to four equivalent Fe, one Ga, and three equivalent Si atoms. The Co–Ga bond length is 2.53 Å. All Co–Si bond lengths are 2.44 Å. Ga is bonded in a distorted body-centered cubic geometry to eight Co atoms. Si is bonded in a distorted body-centered cubic geometry to eight Co atoms.