Materials Data on BePbF4 by Materials Project

Abstract

BePbF4 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two BePbF4 sheets oriented in the (0, 0, 1) direction. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.58 Å. Pb2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Pb–F bond distances ranging from 2.34–2.48 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 one Pb2+ atom. 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 distorted single-bond geometry to one Be2+ and one Pb2+ atom.