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DOE OSTI · 1718422

Materials Data on Cs2PdCl6 by Materials Project

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Abstract

Cs2PdCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent PdCl6 octahedra. All Cs–Cl bond lengths are 3.73 Å. Pd4+ is bonded to six equivalent Cl1- atoms to form PdCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Pd–Cl bond lengths are 2.36 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pd4+ atom.

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36 MATERIALS SCIENCECl-Cs-Pdcrystal structureCs2PdCl6

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2020-05-09. Materials Data on Cs2PdCl6 by Materials Project. https://doi.org/10.17188/1718422

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DOE OSTI2026

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