Materials Data on HoFe11Re by Materials Project

Abstract

HoReFe11 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to one Re and nineteen Fe atoms. The Ho–Re bond length is 3.10 Å. There are a spread of Ho–Fe bond distances ranging from 3.01–3.24 Å. Re is bonded in a 1-coordinate geometry to one Ho and thirteen Fe atoms. There are a spread of Re–Fe bond distances ranging from 2.37–2.88 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho, one Re, and nine Fe atoms to form a mixture of edge, corner, and face-sharing FeHo2Fe9Re cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.34–2.60 Å. In the second Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeHo2Fe10 cuboctahedra. There are four shorter (2.60 Å) and two longer (2.70 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Ho, two equivalent Re, and eight Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeHo2Fe8Re2 cuboctahedra. There are two shorter (2.61 Å) and two longer (2.69 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded to two equivalent Ho, one Re, and nine Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeHo2Fe9Re cuboctahedra. All Fe–Fe bond lengths are 2.61 Å. In the fifth Fe site, Fe is bonded in a 1-coordinate geometry to one Ho, one Re, and twelve Fe atoms. All Fe–Fe bond lengths are 2.88 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to one Ho, two equivalent Re, and eleven Fe atoms. The Fe–Fe bond length is 2.38 Å.