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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on InHO2 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InHO2 by Materials Project

InOOH crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. In3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are four shorter (2.21 Å) and two longer (2.23 Å) In–O bond lengths. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. O2- is bonded in a distorted single-bond geometry to three equivalent In3+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InHO2 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InHO2 by Materials Project

InOOH crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. In3+ is bonded to six equivalent O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All In–O bond lengths are 2.23 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. O2- is bonded in a distorted single-bond geometry to three equivalent In3+ and one H1+ atom.

36 MATERIALS SCIENCE↗