Materials Data on Na2IO6 by Materials Project

Abstract

Na2O6I is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with four equivalent NaO6 octahedra, corners with four equivalent IO6 octahedra, an edgeedge with one NaO6 octahedra, and an edgeedge with one IO6 octahedra. The corner-sharing octahedra tilt angles range from 40–68°. There are a spread of Na–O bond distances ranging from 2.40–2.53 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one I atom. The O–I bond length is 1.87 Å. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Na and one I atom. The O–I bond length is 1.87 Å. I is bonded to six O atoms to form IO6 octahedra that share corners with eight equivalent NaO6 octahedra and edges with two equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 40–45°.