Materials Data on Ga3S2O15 by Materials Project

Abstract

(Ga3(SO7)2)2O2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three water molecules and three Ga3(SO7)2 sheets oriented in the (0, 0, 1) direction. In each Ga3(SO7)2 sheet, Ga is bonded to six O atoms to form GaO6 octahedra that share corners with four equivalent GaO6 octahedra and corners with two equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There is four shorter (1.96 Å) and two longer (2.03 Å) Ga–O bond length. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is one shorter (1.45 Å) and three longer (1.50 Å) S–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Ga and one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Ga atoms.