Materials Data on Rb2Pb4O7 by Materials Project

Abstract

Rb2Pb4O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.36 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.21 Å. There are four inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.18–2.31 Å. In the second Pb3+ site, Pb3+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.18–2.32 Å. In the third Pb3+ site, Pb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.30 Å. In the fourth Pb3+ site, Pb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.29 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to two Rb1+ and three Pb3+ atoms to form distorted ORb2Pb3 trigonal bipyramids that share edges with three equivalent ORb3Pb2 square pyramids, an edgeedge with one ORb2Pb2 tetrahedra, and edges with four ORb2Pb3 trigonal bipyramids. In the second O2- site, O2- is bonded to two Rb1+ and three Pb3+ atoms to form distorted ORb2Pb3 trigonal bipyramids that share corners with four equivalent ORb3Pb2 square pyramids, corners with two equivalent ORb2Pb2 tetrahedra, an edgeedge with one ORb3Pb2 square pyramid, and edges with four ORb2Pb3 trigonal bipyramids. In the third O2- site, O2- is bonded to three Rb1+ and two Pb3+ atoms to form distorted ORb3Pb2 square pyramids that share a cornercorner with one ORb2Pb2 tetrahedra, corners with four equivalent ORb2Pb3 trigonal bipyramids, an edgeedge with one ORb3Pb2 square pyramid, an edgeedge with one ORb2Pb2 tetrahedra, and edges with four ORb2Pb3 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Pb3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Pb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Pb3+ atoms. In the seventh O2- site, O2- is bonded to two Rb1+ and two Pb3+ atoms to form distorted ORb2Pb2 tetrahedra that share a cornercorner with one ORb3Pb2 square pyramid, corners with two equivalent ORb2Pb3 trigonal bipyramids, an edgeedge with one ORb3Pb2 square pyramid, and an edgeedge with one ORb2Pb3 trigonal bipyramid.