Materials Data on CrPb6(Cl3O4)2 by Materials Project

Abstract

CrPb6(O4Cl3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cr6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Cr–O bond lengths are 1.86 Å. Pb+2.67+ is bonded in a 6-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.94 Å. There are one shorter (2.95 Å) and one longer (3.15 Å) Pb–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cr6+ and two equivalent Pb+2.67+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Pb+2.67+ and one O2- atom. The O–O bond length is 1.26 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Pb+2.67+ atoms.