Materials Data on CoH2PbN3O8 by Materials Project

Abstract

CoPbH2O2(NO2)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty-four nitrous acid molecules and four CoPbH2O2 clusters. In each CoPbH2O2 cluster, Co3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.97 Å) and two longer (1.98 Å) Co–O bond length. Pb4+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, 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 in a distorted single-bond geometry to two equivalent Co3+, one Pb4+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Co3+, two equivalent Pb4+, and one H1+ atom.