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Crystal chemistry of basic lead carbonates. I. Crystal structure of synthetic shannonite, Pb₂O(CO₃)

S. V. Krivovichev^*, and P. C. Burns

Department of Civil Engineering and Geological Sciences, 156 Fitzpatrick, University of Notre Dame, Notre Dame IN 46556-0767, USA

^* E-mail: sergey{at}cryst.geol.pu.ru

The crystal structure of synthetic shannonite, Pb₂O(CO₃), orthorhombic, P2₁2₁2₁, a = 5.1465(7), b = 9.014(1), c = 9.315(1) Å, V = 432.12(10) ų, Z = 4, has been solved by direct methods and refined to R = 0.054. There are two symmetrically distinct Pb²⁺ cations in irregular coordination polyhedra due to the effect of stereoactive s² lone-electron pairs. The structure can be described as composed of chains of [OPb₂] composition running parallel to [100] that are built by corner-sharing of OPb₃ oxocentred triangles. The [OPb₂] chains are surrounded by CO₃ groups to form complex [OPb₂](CO₃) chains that are linked into a 3-dimensional framework by additional Pb–O bonds. The structure has channels that are parallel to [100] in which the lone-electron pairs of the Pb²⁺ cations are probably located.

KEYWORDS: shannonite, lead oxide carbonate, lone-electron pairs. Introduction

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