Materials Data on BePbF4 by Materials Project

Abstract

BePbF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) Be–F bond length. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.35–2.96 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Be2+ and three equivalent Pb2+ atoms.