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DOE OSTI · 1308129

Materials Data on ZnO2 by Materials Project

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Abstract

ZnO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with twelve equivalent ZnO6 octahedra and corners with six equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 70°. All Zn–O bond lengths are 2.14 Å. O is bonded to three equivalent Zn and one O atom to form OZn3O tetrahedra that share corners with three equivalent ZnO6 octahedra and corners with fifteen equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 71°. The O–O bond length is 1.50 Å.

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36 MATERIALS SCIENCEcrystal structureO-ZnZnO2

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2020-07-16. Materials Data on ZnO2 by Materials Project. https://doi.org/10.17188/1308129

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