Materials Data on GaS2NO8 by Materials Project

Abstract

(Ga(SO4)2)2N2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one ammonia molecule and one Ga(SO4)2 sheet oriented in the (0, 0, 1) direction. In the Ga(SO4)2 sheet, Ga3+ is bonded to six equivalent O2- atoms to form distorted GaO6 pentagonal pyramids that share corners with six equivalent SO4 tetrahedra. All Ga–O bond lengths are 1.99 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent GaO6 pentagonal pyramids. There is one shorter (1.45 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom.