Materials Data on HoCo4Cu by Materials Project

Abstract

HoCo4Cu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a distorted hexagonal planar geometry to fifteen Co and three equivalent Cu atoms. There are three shorter (2.83 Å) and twelve longer (3.16 Å) Ho–Co bond lengths. All Ho–Cu bond lengths are 2.83 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ho, six equivalent Co, and three equivalent Cu atoms to form distorted CoHo3Co6Cu3 cuboctahedra that share corners with nine equivalent CuHo3Co9 cuboctahedra, corners with twelve equivalent CoHo4Co6Cu2 cuboctahedra, edges with six equivalent CoHo3Co6Cu3 cuboctahedra, faces with three equivalent CuHo3Co9 cuboctahedra, and faces with twenty CoHo3Co6Cu3 cuboctahedra. All Co–Co bond lengths are 2.44 Å. All Co–Cu bond lengths are 2.83 Å. In the second Co site, Co is bonded to four equivalent Ho, six Co, and two equivalent Cu atoms to form CoHo4Co6Cu2 cuboctahedra that share corners with four equivalent CuHo3Co9 cuboctahedra, corners with twenty CoHo3Co6Cu3 cuboctahedra, edges with ten equivalent CoHo4Co6Cu2 cuboctahedra, faces with six equivalent CuHo3Co9 cuboctahedra, and faces with sixteen CoHo3Co6Cu3 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.47 Å) Co–Co bond lengths. Both Co–Cu bond lengths are 2.45 Å. Cu is bonded to three equivalent Ho and nine Co atoms to form distorted CuHo3Co9 cuboctahedra that share corners with twenty-one CoHo3Co6Cu3 cuboctahedra, edges with six equivalent CuHo3Co9 cuboctahedra, faces with two equivalent CuHo3Co9 cuboctahedra, and faces with twenty-one CoHo3Co6Cu3 cuboctahedra.