Materials Data on SbPbBrO2 by Materials Project

Abstract

PbSbO2Br crystallizes in the orthorhombic Cmcm 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 2.56 Å. There are two shorter (3.27 Å) and two longer (3.42 Å) Pb–Br bond lengths. Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.14 Å. O2- is bonded to two equivalent Pb2+ and two equivalent Sb3+ atoms to form distorted OSb2Pb2 tetrahedra that share corners with four equivalent OSb2Pb2 tetrahedra, corners with eight equivalent BrPb4 tetrahedra, and edges with four equivalent OSb2Pb2 tetrahedra. Br1- is bonded to four equivalent Pb2+ atoms to form BrPb4 tetrahedra that share corners with four equivalent BrPb4 tetrahedra, corners with sixteen equivalent OSb2Pb2 tetrahedra, and edges with four equivalent BrPb4 tetrahedra.