Materials Data on P3(PbO5)2 by Materials Project

Abstract

P3(PbO5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.75 Å. In the second Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.77 Å. There are three inequivalent P+4.67+ sites. In the first P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. In the third P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one P+4.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one P+4.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two Pb3+ and one P+4.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.67+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.67+ atoms.