Materials Data on ErCoNi by Materials Project

Abstract

ErCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. There are four shorter (2.93 Å) and two longer (2.94 Å) Er–Co bond lengths. There are four shorter (2.92 Å) and two longer (2.96 Å) Er–Ni bond lengths. Co is bonded to six equivalent Er, two equivalent Co, and four equivalent Ni atoms to form CoEr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Co4Ni2 cuboctahedra, corners with ten equivalent CoEr6Co2Ni4 cuboctahedra, edges with six equivalent CoEr6Co2Ni4 cuboctahedra, faces with six equivalent CoEr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.50 Å. All Co–Ni bond lengths are 2.51 Å. Ni is bonded to six equivalent Er, four equivalent Co, and two equivalent Ni atoms to form NiEr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoEr6Co2Ni4 cuboctahedra, corners with ten equivalent NiEr6Co4Ni2 cuboctahedra, edges with six equivalent NiEr6Co4Ni2 cuboctahedra, faces with six equivalent NiEr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoEr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.49 Å.