Materials Data on Ga(HO)3 by Materials Project

Abstract

Ga(OH)3 crystallizes in the trigonal R-3 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 corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 43–45°. There are a spread of Ga–O bond distances ranging from 2.00–2.05 Å. In the second Ga3+ site, Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ga–O bond lengths are 2.02 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 1.01 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.61 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 two equivalent Ga3+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Ga3+ and one H1+ atom.