Materials Data on Ho4Fe5Si3 by Materials Project

Ho4Fe5Si3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to five Fe and four equivalent Si atoms. There are four shorter (2.89 Å) and one longer (3.20 Å) Ho–Fe bond lengths. All Ho–Si bond lengths are 2.99 Å. In the second Ho site, Ho is bonded in a 9-coordinate geometry to four equivalent Fe and five Si atoms. All Ho–Fe bond lengths are 2.89 Å. There are four shorter (2.98 Å) and one longer (3.28 Å) Ho–Si bond lengths. In the third Ho site, Ho is bonded in a 9-coordinate geometry to eight Fe and one Si atom. There are four shorter (2.92 Å) and four longer (2.98 Å) Ho–Fe bond lengths. The Ho–Si bond length is 3.25 Å. In the fourth Ho site, Ho is bonded in a 9-coordinate geometry to four equivalent Fe and five Si atoms. All Ho–Fe bond lengths are 2.87 Å. There are four shorter (2.98 Å) and one longer (3.28 Å) Ho–Si bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to four Ho and four Si atoms. There are two shorter (2.32 Å) and two longer (2.34 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a 8-coordinate geometry to four Ho, two equivalent Fe, and two equivalent Si atoms. Both Fe–Fe bond lengths are 2.37 Å. Both Fe–Si bond lengths are 2.35 Å. In the third Fe site, Fe is bonded in a 9-coordinate geometry to five Ho and four equivalent Fe atoms. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five Ho and four equivalent Fe atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to five Ho and four equivalent Fe atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to five Ho and four equivalent Fe atoms.