Materials Data on Fe5Si3 by Materials Project
Fe5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Fe+2.40+ sites. In the first Fe+2.40+ site, Fe+2.40+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing FeSi5 trigonal bipyramids. There are a spread of Fe–Si bond distances ranging from 2.31–2.57 Å. In the second Fe+2.40+ site, Fe+2.40+ is bonded in a 8-coordinate geometry to two equivalent Fe+2.40+ and six equivalent Si4- atoms. Both Fe–Fe bond lengths are 2.34 Å. All Fe–Si bond lengths are 2.37 Å. Si4- is bonded in a 9-coordinate geometry to nine Fe+2.40+ atoms.
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