Materials Data on Yb2Fe3Cu by Materials Project

Abstract

Yb2Fe3Cu is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to nine equivalent Fe and three equivalent Cu atoms. There are six shorter (2.99 Å) and three longer (3.08 Å) Yb–Fe bond lengths. All Yb–Cu bond lengths are 2.95 Å. Fe is bonded to six equivalent Yb, four equivalent Fe, and two equivalent Cu atoms to form FeYb6Fe4Cu2 cuboctahedra that share corners with four equivalent CuYb6Fe6 cuboctahedra, corners with fourteen equivalent FeYb6Fe4Cu2 cuboctahedra, edges with six equivalent FeYb6Fe4Cu2 cuboctahedra, faces with six equivalent CuYb6Fe6 cuboctahedra, and faces with twelve equivalent FeYb6Fe4Cu2 cuboctahedra. All Fe–Fe bond lengths are 2.51 Å. Both Fe–Cu bond lengths are 2.61 Å. Cu is bonded to six equivalent Yb and six equivalent Fe atoms to form CuYb6Fe6 cuboctahedra that share corners with six equivalent CuYb6Fe6 cuboctahedra, corners with twelve equivalent FeYb6Fe4Cu2 cuboctahedra, edges with six equivalent CuYb6Fe6 cuboctahedra, and faces with eighteen equivalent FeYb6Fe4Cu2 cuboctahedra.