Materials Data on Rb2PbO2 by Materials Project

Abstract

Rb2PbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.10 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.84 Å) and one longer (2.86 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form edge-sharing RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.84–3.09 Å. In the fourth Rb1+ site, Rb1+ is bonded to five O2- atoms to form edge-sharing RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.88–3.03 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.15–2.31 Å. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.16–2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form distorted ORb5Pb octahedra that share corners with three equivalent ORb5Pb octahedra, a cornercorner with one ORb3Pb2 trigonal bipyramid, edges with seven ORb5Pb octahedra, and an edgeedge with one ORb3Pb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 13–18°. In the second O2- site, O2- is bonded to four Rb1+ and two equivalent Pb2+ atoms to form distorted ORb4Pb2 octahedra that share corners with three equivalent ORb3Pb2 trigonal bipyramids and edges with eight ORb5Pb octahedra. In the third O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form distorted ORb5Pb octahedra that share corners with three equivalent ORb5Pb octahedra, edges with four ORb5Pb octahedra, and edges with three equivalent ORb3Pb2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 13–18°. In the fourth O2- site, O2- is bonded to three Rb1+ and two equivalent Pb2+ atoms to form distorted ORb3Pb2 trigonal bipyramids that share corners with four ORb5Pb octahedra, edges with four ORb5Pb octahedra, and an edgeedge with one ORb3Pb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 29–78°.