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DOE OSTI · 1318216

Materials Data on FeO2 by Materials Project

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Abstract

FeO2 is trigonal omega-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two FeO2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There is three shorter (1.92 Å) and three longer (1.93 Å) Fe–O bond length. In the second Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There is four shorter (1.92 Å) and two longer (1.93 Å) Fe–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the third O site, O is bonded in a distorted T-shaped geometry to three Fe atoms.

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36 MATERIALS SCIENCEcrystal structureFe-OFeO2

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2020-07-22. Materials Data on FeO2 by Materials Project. https://doi.org/10.17188/1318216

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