Materials Data on ErCo3Ni2 by Materials Project

Abstract

ErCo3Ni2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a distorted hexagonal planar geometry to twelve equivalent Co and six equivalent Ni atoms. All Er–Co bond lengths are 3.14 Å. All Er–Ni bond lengths are 2.78 Å. Co is bonded to four equivalent Er, four equivalent Co, and four equivalent Ni atoms to form CoEr4Co4Ni4 cuboctahedra that share corners with eight equivalent NiEr3Co6 cuboctahedra, corners with sixteen equivalent CoEr4Co4Ni4 cuboctahedra, edges with eight equivalent NiEr3Co6 cuboctahedra, edges with ten equivalent CoEr4Co4Ni4 cuboctahedra, faces with four equivalent NiEr3Co6 cuboctahedra, and faces with ten equivalent CoEr4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Ni bond lengths are 2.45 Å. Ni is bonded to three equivalent Er and six equivalent Co atoms to form distorted NiEr3Co6 cuboctahedra that share corners with twelve equivalent CoEr4Co4Ni4 cuboctahedra, corners with fifteen equivalent NiEr3Co6 cuboctahedra, edges with twelve equivalent CoEr4Co4Ni4 cuboctahedra, faces with five equivalent NiEr3Co6 cuboctahedra, and faces with six equivalent CoEr4Co4Ni4 cuboctahedra.