Materials Data on Pb2S(O2F)2 by Materials Project

Abstract

Pb2S(O2F)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to four O2- and four equivalent F1- atoms. There are a spread of Pb–O bond distances ranging from 2.59–2.90 Å. There are a spread of Pb–F bond distances ranging from 2.52–2.66 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S6+ atom. F1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ atoms.