Materials Data on HIO4 by Materials Project

Abstract

HIO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.68 Å) H–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent I atoms. There is one shorter (1.96 Å) and one longer (2.03 Å) O–I bond length. In the second O site, O is bonded in a water-like geometry to two equivalent I atoms. There are one shorter (1.98 Å) and one longer (2.03 Å) O–I bond lengths. In the third O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.89 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one H and one I atom. The O–I bond length is 1.78 Å. I is bonded to six O atoms to form edge-sharing IO6 octahedra.