Materials Data on PbS2(NO4)2 by Materials Project

Abstract

N2Pb(SO4)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six ammonia molecules and three Pb(SO4)2 sheets oriented in the (0, 0, 1) direction. In each Pb(SO4)2 sheet, Pb2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Pb–O bond lengths are 2.64 Å. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.47 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 distorted single-bond geometry to one Pb2+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2+ atom.