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DOE OSTI · 1193358

Materials Data on Fe3P by Materials Project

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Abstract

Fe3P 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 4-coordinate geometry to four equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.27–2.33 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.30 Å) and one longer (2.34 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.39 Å. P is bonded in a 9-coordinate geometry to nine Fe atoms.

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36 MATERIALS SCIENCEcrystal structureFe-PFe3P

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2020-07-16. Materials Data on Fe3P by Materials Project. https://doi.org/10.17188/1193358

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