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DOE OSTI · 1204421

Materials Data on CsPd2Cl5 by Materials Project

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Abstract

CsPd2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.62–4.17 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.30–2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Cs1+ and two equivalent Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Pd2+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Cs1+ and two equivalent Pd2+ atoms.

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36 MATERIALS SCIENCECl-Cs-Pdcrystal structureCsPd2Cl5

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2020-05-03. Materials Data on CsPd2Cl5 by Materials Project. https://doi.org/10.17188/1204421

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