Materials Data on Re2PbO6 by Materials Project
Re2PbO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with four equivalent ReO6 octahedra, edges with two equivalent PbO12 cuboctahedra, and an edgeedge with one ReO6 octahedra. The corner-sharing octahedra tilt angles range from 17–26°. There are a spread of Re–O bond distances ranging from 1.89–2.07 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.34 Å. In the second Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form distorted PbO12 cuboctahedra that share edges with twelve equivalent ReO6 octahedra. There are six shorter (2.75 Å) and six longer (3.17 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Re5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re5+ and two Pb2+ atoms.