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DOE OSTI · 1663470

Materials Data on Fe3B by Materials Project

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Abstract

Fe3B crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent B atoms. There are one shorter (2.13 Å) and one longer (2.23 Å) Fe–B bond lengths. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent B atoms. There are a spread of Fe–B bond distances ranging from 2.12–2.31 Å. In the third Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent B atoms. There are a spread of Fe–B bond distances ranging from 2.18–2.21 Å. B is bonded in a 9-coordinate geometry to nine Fe atoms.

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36 MATERIALS SCIENCEB-Fecrystal structureFe3B

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2020-07-14. Materials Data on Fe3B by Materials Project. https://doi.org/10.17188/1663470

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