Materials Data on Fe5Si2B by Materials Project
Fe5BSi2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Fe+2.20+ sites. In the first Fe+2.20+ site, Fe+2.20+ is bonded in a 6-coordinate geometry to two equivalent B3- and four equivalent Si4- atoms. Both Fe–B bond lengths are 2.21 Å. There are a spread of Fe–Si bond distances ranging from 2.30–2.60 Å. In the second Fe+2.20+ site, Fe+2.20+ is bonded in a distorted hexagonal planar geometry to two equivalent Fe+2.20+ and four equivalent Si4- atoms. Both Fe–Fe bond lengths are 2.21 Å. All Fe–Si bond lengths are 2.33 Å. B3- is bonded in a 10-coordinate geometry to eight equivalent Fe+2.20+ and two equivalent B3- atoms. Both B–B bond lengths are 2.21 Å. Si4- is bonded in a 10-coordinate geometry to ten Fe+2.20+ atoms.