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DOE OSTI · 1199142

Materials Data on NaIO3 by Materials Project

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Abstract

NaIO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 54–66°. There are a spread of Na–O bond distances ranging from 2.43–2.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one I5+ atom. The O–I bond length is 1.84 Å. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.

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36 MATERIALS SCIENCEcrystal structureI-Na-ONaIO3

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2020-07-14. Materials Data on NaIO3 by Materials Project. https://doi.org/10.17188/1199142

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