Materials Data on Er2Fe3Cu by Materials Project

Abstract

Er2Fe3Cu is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to nine equivalent Fe and three equivalent Cu atoms. There are six shorter (2.97 Å) and three longer (3.06 Å) Er–Fe bond lengths. All Er–Cu bond lengths are 2.97 Å. Fe is bonded to six equivalent Er, four equivalent Fe, and two equivalent Cu atoms to form FeEr6Fe4Cu2 cuboctahedra that share corners with four equivalent CuEr6Fe6 cuboctahedra, corners with fourteen equivalent FeEr6Fe4Cu2 cuboctahedra, edges with six equivalent FeEr6Fe4Cu2 cuboctahedra, faces with six equivalent CuEr6Fe6 cuboctahedra, and faces with twelve equivalent FeEr6Fe4Cu2 cuboctahedra. All Fe–Fe bond lengths are 2.53 Å. Both Fe–Cu bond lengths are 2.58 Å. Cu is bonded to six equivalent Er and six equivalent Fe atoms to form CuEr6Fe6 cuboctahedra that share corners with six equivalent CuEr6Fe6 cuboctahedra, corners with twelve equivalent FeEr6Fe4Cu2 cuboctahedra, edges with six equivalent CuEr6Fe6 cuboctahedra, and faces with eighteen equivalent FeEr6Fe4Cu2 cuboctahedra.