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DOE OSTI · 1290511

Materials Data on FeO by Materials Project

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Abstract

FeO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six equivalent O2- atoms to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of Fe–O bond distances ranging from 2.19–2.30 Å. In the second Fe2+ site, Fe2+ is bonded to six equivalent O2- atoms to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of Fe–O bond distances ranging from 2.17–2.21 Å. O2- is bonded in a 6-coordinate geometry to six Fe2+ atoms.

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36 MATERIALS SCIENCEcrystal structureFe-OFeO

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2014-05-07. Materials Data on FeO by Materials Project. https://doi.org/10.17188/1290511

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