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DOE OSTI · 1681667

Materials Data on Na(FeO2)2 by Materials Project

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Abstract

Na(FeO2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.42 Å) and two longer (2.53 Å) Na–O bond lengths. 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 are a spread of Fe–O bond distances ranging from 1.91–2.13 Å. In the second Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.03–2.08 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to one Na and three Fe atoms. In the second O site, O is bonded to two equivalent Na and three Fe atoms to form a mixture of distorted corner and edge-sharing ONa2Fe3 square pyramids.

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36 MATERIALS SCIENCEcrystal structureFe-Na-ONa(FeO2)2

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2020-05-04. Materials Data on Na(FeO2)2 by Materials Project. https://doi.org/10.17188/1681667

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