Materials Data on FeCoPt2 by Materials Project

Abstract

Pt2FeCo crystallizes in the trigonal R3m space group. The structure is three-dimensional. Fe2+ is bonded in a distorted hexagonal planar geometry to three equivalent Co2+ and three equivalent Pt2- atoms. All Fe–Co bond lengths are 2.37 Å. All Fe–Pt bond lengths are 2.64 Å. Co2+ is bonded in a distorted hexagonal planar geometry to three equivalent Fe2+ and three equivalent Pt2- atoms. All Co–Pt bond lengths are 2.66 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to three equivalent Fe2+ and three equivalent Pt2- atoms to form distorted PtFe3Pt3 cuboctahedra that share corners with six equivalent PtCo3Pt9 cuboctahedra and edges with twelve PtFe3Pt3 cuboctahedra. All Pt–Pt bond lengths are 2.94 Å. In the second Pt2- site, Pt2- is bonded to three equivalent Co2+ and nine Pt2- atoms to form distorted PtCo3Pt9 cuboctahedra that share corners with twelve PtFe3Pt3 cuboctahedra, edges with twelve PtFe3Pt3 cuboctahedra, and faces with six equivalent PtCo3Pt9 cuboctahedra. All Pt–Pt bond lengths are 2.68 Å.