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DOE OSTI · 1268271

Materials Data on NaI(OF)2 by Materials Project

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Abstract

NaI(OF)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded to two equivalent O2- and four equivalent F1- atoms to form edge-sharing NaO2F4 octahedra. Both Na–O bond lengths are 2.39 Å. All Na–F bond lengths are 2.39 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a distorted see-saw-like geometry to two equivalent O2- and two equivalent F1- atoms. Both I–F bond lengths are 2.07 Å. F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one I5+ atom.

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36 MATERIALS SCIENCEcrystal structureF-I-Na-ONaI(OF)2

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2020-05-09. Materials Data on NaI(OF)2 by Materials Project. https://doi.org/10.17188/1268271

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