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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2PdCl4 by Materials Project

K2PdCl4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All K–Cl bond lengths are 3.30 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.33 Å. Cl1- is bonded to four equivalent K1+ and one Pd2+ atom to form a mixture of distorted face, edge, and corner-sharing ClK4Pd square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2PdCl6 by Materials Project

K2PdCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent PdCl6 octahedra. All K–Cl bond lengths are 3.53 Å. Pd4+ is bonded to six equivalent Cl1- atoms to form PdCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Pd–Cl bond lengths are 2.35 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Pd4+ atom.

36 MATERIALS SCIENCE↗