Materials Data on HIO3 by Materials Project

Abstract

HIO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two HIO3 ribbons oriented in the (0, 1, 0) direction. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one H1+ and two equivalent I5+ atoms. There are one shorter (1.85 Å) and one longer (2.48 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one I5+ atom. The O–I bond length is 1.93 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 5-coordinate geometry to four O2- atoms.