Materials Data on As2Pb3O8 by Materials Project

Abstract

Pb3(AsO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent AsO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.65–2.78 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.76 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent PbO8 hexagonal bipyramids and an edgeedge with one PbO8 hexagonal bipyramid. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one As5+ atom.