Materials Data on Ir2Pb2O7 by Materials Project

Abstract

Pb2Ir2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ir5+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and edges with six equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. All Ir–O bond lengths are 2.01 Å. Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share edges with six equivalent PbO8 hexagonal bipyramids and edges with six equivalent IrO6 octahedra. There are two shorter (2.26 Å) and six longer (2.57 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ir5+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded to four equivalent Pb2+ atoms to form corner-sharing OPb4 tetrahedra.