Materials Data on Al2CrFeCo4 by Materials Project

CrFeCo4Al2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr is bonded in a body-centered cubic geometry to eight Co atoms. All Cr–Co bond lengths are 2.47 Å. Fe is bonded in a distorted body-centered cubic geometry to eight Co and six equivalent Al atoms. There are two shorter (2.46 Å) and six longer (2.47 Å) Fe–Co bond lengths. All Fe–Al bond lengths are 2.85 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to three equivalent Cr, one Fe, and four equivalent Al atoms. All Co–Al bond lengths are 2.46 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to one Cr, three equivalent Fe, and four equivalent Al atoms. All Co–Al bond lengths are 2.47 Å. In the third Co site, Co is bonded in a body-centered cubic geometry to three equivalent Cr, one Fe, and four equivalent Al atoms. All Co–Cr bond lengths are 2.47 Å. The Co–Fe bond length is 2.46 Å. All Co–Al bond lengths are 2.46 Å. Al is bonded in a body-centered cubic geometry to three equivalent Fe and eight Co atoms.