Materials Data on InHO2 by Materials Project

Abstract

InOOH crystallizes in the cubic P2_13 space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are three shorter (2.19 Å) and three longer (2.28 Å) In–O bond lengths. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.46 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent In3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent In3+ and one H1+ atom to form distorted corner-sharing OIn3H trigonal pyramids.