Materials Data on HIO4 by Materials Project

Abstract

HIO4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. H is bonded in a linear geometry to two O atoms. There is one shorter (1.05 Å) and one longer (1.51 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 I atoms. There is one shorter (1.99 Å) and one longer (2.00 Å) O–I bond length. In the second O site, O is bonded in a water-like geometry to two I atoms. There are one shorter (1.94 Å) and one longer (2.08 Å) O–I bond lengths. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one H and one I atom. The O–I bond length is 1.87 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 1.80 Å. There are two inequivalent I sites. In the first I site, I is bonded to six O atoms to form distorted edge-sharing IO6 octahedra. In the second I site, I is bonded to six O atoms to form edge-sharing IO6 octahedra.