Materials Data on K2PdN2(ClO2)2 by Materials Project

Abstract

K2PdN2(O2Cl)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded to five O2- and three equivalent Cl1- atoms to form distorted edge-sharing KCl3O5 hexagonal bipyramids. There are a spread of K–O bond distances ranging from 2.88–3.12 Å. There are a spread of K–Cl bond distances ranging from 3.18–3.23 Å. Pd2+ is bonded in a distorted square co-planar geometry to two equivalent N3+ and two equivalent Cl1- atoms. Both Pd–N bond lengths are 2.06 Å. Both Pd–Cl bond lengths are 2.33 Å. N3+ is bonded in a distorted bent 120 degrees geometry to one Pd2+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N3+ atom. Cl1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Pd2+ atom.