Materials Data on NaIO3 by Materials Project

Abstract

NaIO3 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–3.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Na1+ and two equivalent I5+ atoms. Both O–I bond lengths are 1.98 Å. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Na1+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Na1+ atoms. I5+ is bonded in a linear geometry to two equivalent O2- atoms.