Materials Data on Te2PdPb2(ClO3)2 by Materials Project

Abstract

PdPb2Te2(O3Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ 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. Pb2+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.38–2.79 Å. There are one shorter (3.31 Å) and one longer (3.38 Å) Pb–Cl bond lengths. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Pd2+, one Pb2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Te4+ atom. Cl1- is bonded in a distorted single-bond geometry to one Pd2+ and two equivalent Pb2+ atoms.