Materials Data on BiPbBrO2 by Materials Project

Abstract

PbBiO2Br crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Pb–O bond lengths are 2.43 Å. All Pb–Br bond lengths are 3.52 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.29 Å. All Bi–Br bond lengths are 3.49 Å. O2- is bonded to two equivalent Pb2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi2Pb2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to four equivalent Pb2+ and four equivalent Bi3+ atoms.