Materials Data on H2Pb4SO8 by Materials Project

Abstract

(H(PbO)2)2SO4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two sulfuric acid molecules and one H(PbO)2 ribbon oriented in the (0, 1, 0) direction. In the H(PbO)2 ribbon, there are four inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.37 Å. In the second Pb4+ site, Pb4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–2.71 Å. In the third Pb4+ site, Pb4+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.43 Å. In the fourth Pb4+ site, Pb4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.34 Å) and two longer (2.40 Å) Pb–O bond lengths. 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb4+ and one H1+ atom. In the second O2- site, O2- is bonded to four Pb4+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to two Pb4+ and one H1+ atom. In the fourth O2- site, O2- is bonded to four Pb4+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra.