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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaHO2 by Materials Project

GaOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Ga–O bond distances ranging from 1.96–2.17 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ga3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent Ga3+ and one H1+ atom to form distorted corner-sharing OGa3H trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaHO2 by Materials Project

GaOOH crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing GaO6 pentagonal pyramids. There are a spread of Ga–O bond distances ranging from 1.99–2.20 Å. H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OGa4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ga3+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaHO2 by Materials Project

GaOOH crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. There are a spread of Ga–O bond distances ranging from 2.01–2.12 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. There are a spread of Ga–O bond distances ranging from 2.01–2.15 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ga3+ atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Ga3+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaHO2 by Materials Project

GaOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Ga–O bond distances ranging from 1.95–2.09 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ga3+ and one H1+ atom to form distorted corner-sharing OGa3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ga3+ and one H1+ atom.

36 MATERIALS SCIENCE↗