Materials Data on PbICl by Materials Project

Abstract

PbICl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to five equivalent I1- and four equivalent Cl1- atoms. There are a spread of Pb–I bond distances ranging from 3.41–3.63 Å. There are a spread of Pb–Cl bond distances ranging from 2.93–3.41 Å. I1- is bonded in a 2-coordinate geometry to five equivalent Pb2+, two equivalent I1-, and six equivalent Cl1- atoms. Both I–I bond lengths are 4.11 Å. There are a spread of I–Cl bond distances ranging from 3.75–3.97 Å. Cl1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ and six equivalent I1- atoms.