Materials Data on Ho2Fe17 by Materials Project
Ho2Fe17 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 Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.97–3.28 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.94–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ho and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.78 Å. In the second Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with fourteen FeHo2Fe10 cuboctahedra, edges with six equivalent FeHo3Fe9 cuboctahedra, and faces with ten FeHo2Fe10 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Ho and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded to three Ho and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeHo3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å.