Materials Data on Pb2BrOF by Materials Project

Abstract

Pb2OBrF crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to two equivalent O2-, three equivalent Br1-, and two equivalent F1- atoms. Both Pb–O bond lengths are 2.36 Å. There are one shorter (3.33 Å) and two longer (3.57 Å) Pb–Br bond lengths. Both Pb–F bond lengths are 2.58 Å. O2- is bonded to four equivalent Pb2+ atoms to form distorted OPb4 tetrahedra that share corners with four equivalent FPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra. Br1- is bonded in a 8-coordinate geometry to six equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with four equivalent OPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra.