Materials Data on SbPbBrO2 by Materials Project

Abstract

PbSbO2Br crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two PbSbO2Br sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Pb–O bond lengths are 2.48 Å. All Pb–Br bond lengths are 3.33 Å. Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.19 Å. O2- is bonded to two equivalent Pb2+ and two equivalent Sb3+ atoms to form a mixture of distorted edge and corner-sharing OSb2Pb2 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ atoms.