Materials Data on HPb2IO2 by Materials Project

Abstract

H(PbO)2I crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four hydriodic acid molecules and two H(PbO)2 ribbons oriented in the (0, 1, 0) direction. In each H(PbO)2 ribbon, there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.70 Å. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.29 Å) and two longer (2.45 Å) Pb–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a single-bond geometry to three Pb2+ and one H1+ atom.