Materials Data on InHO2 by Materials Project

Abstract

InOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of In–O bond distances ranging from 2.17–2.28 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.51 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent In3+ and one H1+ atom to form distorted corner-sharing OIn3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent In3+ and one H1+ atom.