Materials Data on Ho2(CoNi)5 by Materials Project

Abstract

Ho2(CoNi)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six Co and twelve Ni atoms. There are four shorter (2.83 Å) and two longer (2.86 Å) Ho–Co bond lengths. There are eight shorter (3.14 Å) and four longer (3.15 Å) Ho–Ni bond lengths. In the second Ho site, Ho is bonded in a 6-coordinate geometry to ten Co and eight equivalent Ni atoms. There are a spread of Ho–Co bond distances ranging from 2.81–3.15 Å. All Ho–Ni bond lengths are 3.14 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three Ho, two equivalent Co, and four equivalent Ni atoms. Both Co–Co bond lengths are 2.40 Å. All Co–Ni bond lengths are 2.44 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three Ho and six Ni atoms. There are four shorter (2.42 Å) and two longer (2.43 Å) Co–Ni bond lengths. In the third Co site, Co is bonded to four equivalent Ho, four equivalent Co, and four equivalent Ni atoms to form CoHo4Co4Ni4 cuboctahedra that share corners with four equivalent CoHo4Co4Ni4 cuboctahedra, corners with twelve NiHo4Co5Ni3 cuboctahedra, edges with two equivalent CoHo4Co4Ni4 cuboctahedra, edges with eight equivalent NiHo4Co5Ni3 cuboctahedra, faces with two equivalent CoHo4Co4Ni4 cuboctahedra, and faces with eight equivalent NiHo4Co5Ni3 cuboctahedra. All Co–Ni bond lengths are 2.45 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ho, four equivalent Co, and four equivalent Ni atoms to form NiHo4Co4Ni4 cuboctahedra that share corners with four equivalent CoHo4Co4Ni4 cuboctahedra, corners with twelve NiHo4Co5Ni3 cuboctahedra, edges with ten NiHo4Co5Ni3 cuboctahedra, and faces with ten NiHo4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four Ho, five Co, and three Ni atoms to form NiHo4Co5Ni3 cuboctahedra that share corners with two equivalent CoHo4Co4Ni4 cuboctahedra, corners with fourteen NiHo4Co4Ni4 cuboctahedra, edges with two equivalent CoHo4Co4Ni4 cuboctahedra, edges with eight NiHo4Co4Ni4 cuboctahedra, faces with two equivalent CoHo4Co4Ni4 cuboctahedra, and faces with eight NiHo4Co4Ni4 cuboctahedra. There are one shorter (2.44 Å) and one longer (2.46 Å) Ni–Ni bond lengths.