Materials Data on ErCuNi by Materials Project

Abstract

ErNiCu 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 Ni and six equivalent Cu atoms. All Er–Ni bond lengths are 2.99 Å. There are two shorter (3.00 Å) and four longer (3.03 Å) Er–Cu bond lengths. Ni is bonded to six equivalent Er, two equivalent Ni, and four equivalent Cu atoms to form NiEr6Cu4Ni2 cuboctahedra that share corners with eight equivalent CuEr6Cu2Ni4 cuboctahedra, corners with ten equivalent NiEr6Cu4Ni2 cuboctahedra, edges with six equivalent NiEr6Cu4Ni2 cuboctahedra, faces with six equivalent NiEr6Cu4Ni2 cuboctahedra, and faces with twelve equivalent CuEr6Cu2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.61 Å. All Ni–Cu bond lengths are 2.56 Å. Cu is bonded to six equivalent Er, four equivalent Ni, and two equivalent Cu atoms to form CuEr6Cu2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Cu4Ni2 cuboctahedra, corners with ten equivalent CuEr6Cu2Ni4 cuboctahedra, edges with six equivalent CuEr6Cu2Ni4 cuboctahedra, faces with six equivalent CuEr6Cu2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Cu4Ni2 cuboctahedra. Both Cu–Cu bond lengths are 2.54 Å.