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DOE OSTI · 1725021

Materials Data on Fe2Si by Materials Project

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Abstract

Fe2Si crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to four equivalent Fe2+ and four equivalent Si4- atoms. All Fe–Fe bond lengths are 2.45 Å. All Fe–Si bond lengths are 2.38 Å. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Fe–Si bond lengths are 2.42 Å. In the third Fe2+ site, Fe2+ is bonded in a 10-coordinate geometry to eight equivalent Fe2+ and two equivalent Si4- atoms. Both Fe–Si bond lengths are 2.77 Å. Si4- is bonded in a distorted body-centered cubic geometry to nine Fe2+ atoms.

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36 MATERIALS SCIENCEcrystal structureFe-SiFe2Si

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2020-05-03. Materials Data on Fe2Si by Materials Project. https://doi.org/10.17188/1725021

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