Materials Data on PdPb2Se2(ClO3)2 by Materials Project

Abstract

PdPb2Se2(O3Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd4+ is bonded in a square co-planar geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Pd–O bond lengths are 2.03 Å. Both Pd–Cl bond lengths are 2.32 Å. Pb3+ is bonded in a 5-coordinate geometry to five O2- and three equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.70 Å. There are a spread of Pb–Cl bond distances ranging from 3.25–3.41 Å. Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pb3+ and one Se2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Pd4+, one Pb3+, and one Se2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb3+ and one Se2+ atom. Cl1- is bonded in a distorted single-bond geometry to one Pd4+ and three equivalent Pb3+ atoms.