Materials Data on BiPbF5 by Materials Project

Abstract

PbBiF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.39–3.03 Å. Bi3+ is bonded in a 5-coordinate geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.19–2.91 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Pb2+ and one Bi3+ atom. In the second F1- site, F1- is bonded in a distorted water-like geometry to one Pb2+ and one Bi3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Pb2+ and one Bi3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Bi3+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Pb2+ and one Bi3+ atom.