Materials Data on Pb(BrO3)2 by Materials Project

Abstract

Pb(O3Br)2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two Pb(O3Br)2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.66 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.