Materials Data on RbPbF3 by Materials Project

Abstract

RbPbF3 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded to five F1- atoms to form distorted RbF5 trigonal bipyramids that share corners with eight equivalent PbF5 square pyramids and corners with four equivalent RbF5 trigonal bipyramids. There are a spread of Rb–F bond distances ranging from 2.64–3.01 Å. Pb2+ is bonded to five F1- atoms to form distorted PbF5 square pyramids that share corners with eight equivalent RbF5 trigonal bipyramids and edges with two equivalent PbF5 square pyramids. There are a spread of Pb–F bond distances ranging from 2.20–2.52 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Rb1+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted corner-sharing FRb2Pb2 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Pb2+ atom.