Materials Data on PbBr2O7 by Materials Project

Abstract

PbO7Br2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two PbO7Br2 ribbons oriented in the (1, 0, 1) direction. Pb4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.64–2.73 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.69 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one Br5+ atom. The O–Br bond length is 1.69 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ atom. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.