Materials Data on PdCl2 by Materials Project

Abstract

PdCl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one chlorine molecule and one Pd3Cl5 cluster. In the Pd3Cl5 cluster, there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.31–2.47 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.32–2.34 Å. In the third Pd2+ site, Pd2+ is bonded in a T-shaped geometry to three Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.30–2.36 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two Pd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms.