Materials Data on Ho2Fe5Co12 by Materials Project

Abstract

Ho2Fe5Co12 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Ho–Co bond distances ranging from 2.94–3.22 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to eight Fe and twelve Co atoms. There are two shorter (2.89 Å) and six longer (3.15 Å) Ho–Fe bond lengths. There are six shorter (3.02 Å) and six longer (3.09 Å) Ho–Co bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ho, four Fe, and nine Co atoms. There are one shorter (2.33 Å) and three longer (2.56 Å) Fe–Fe bond lengths. There are three shorter (2.65 Å) and six longer (2.70 Å) Fe–Co bond lengths. In the second Fe site, Fe is bonded to two equivalent Ho, two equivalent Fe, and eight Co atoms to form distorted FeHo2Fe2Co8 cuboctahedra that share corners with four equivalent FeHo2Fe2Co8 cuboctahedra, corners with eighteen CoHo3Fe3Co6 cuboctahedra, edges with ten CoHo3Fe3Co6 cuboctahedra, faces with six equivalent FeHo2Fe2Co8 cuboctahedra, and faces with twelve CoHo2Fe4Co6 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.44 Å) Fe–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two Ho, four Fe, and six Co atoms to form distorted CoHo2Fe4Co6 cuboctahedra that share corners with four equivalent FeHo2Fe2Co8 cuboctahedra, corners with twenty CoHo2Fe4Co6 cuboctahedra, edges with two equivalent FeHo2Fe2Co8 cuboctahedra, edges with three CoHo3Fe3Co6 cuboctahedra, faces with four equivalent FeHo2Fe2Co8 cuboctahedra, and faces with seventeen CoHo2Fe4Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.35–2.57 Å. In the second Co site, Co is bonded to three Ho, three Fe, and six Co atoms to form distorted CoHo3Fe3Co6 cuboctahedra that share corners with five equivalent FeHo2Fe2Co8 cuboctahedra, corners with eighteen CoHo3Fe3Co6 cuboctahedra, edges with three equivalent FeHo2Fe2Co8 cuboctahedra, edges with seven CoHo3Fe3Co6 cuboctahedra, faces with two equivalent FeHo2Fe2Co8 cuboctahedra, and faces with eighteen CoHo2Fe4Co6 cuboctahedra. Both Co–Co bond lengths are 2.39 Å.