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DOE OSTI · 1193797

Materials Data on NaO2 by Materials Project

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Abstract

NaO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form NaO6 octahedra that share corners with eight equivalent NaO6 octahedra, corners with six equivalent ONa3O tetrahedra, and edges with two equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 71°. All Na–O bond lengths are 2.42 Å. O is bonded to three equivalent Na and one O atom to form distorted ONa3O tetrahedra that share corners with three equivalent NaO6 octahedra, corners with thirteen equivalent ONa3O tetrahedra, and an edgeedge with one ONa3O tetrahedra. The corner-sharing octahedra tilt angles range from 58–69°. The O–O bond length is 1.35 Å.

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36 MATERIALS SCIENCEcrystal structureNa-ONaO2

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2020-07-14. Materials Data on NaO2 by Materials Project. https://doi.org/10.17188/1193797

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