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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 In(HO)3 by Materials Project

In(OH)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are two shorter (2.19 Å) and four longer (2.21 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six equivalent O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All In–O bond lengths are 2.21 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two In3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two 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↗