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DOE OSTI · 1278430

Materials Data on GaHO2 by Materials Project

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Abstract

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.

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36 MATERIALS SCIENCEcrystal structureGa-H-OGaHO2

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2020-07-22. Materials Data on GaHO2 by Materials Project. https://doi.org/10.17188/1278430

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