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DOE OSTI · 1268498

Materials Data on CsAgCl2 by Materials Project

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Abstract

CsAgCl2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to nine Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.48–3.94 Å. Ag1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are one shorter (2.55 Å) and four longer (2.75 Å) Ag–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to five equivalent Cs1+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing ClCs5Ag octahedra. The corner-sharing octahedral tilt angles are 17°. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four equivalent Ag1+ atoms.

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36 MATERIALS SCIENCEAg-Cl-Cscrystal structureCsAgCl2

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2020-07-14. Materials Data on CsAgCl2 by Materials Project. https://doi.org/10.17188/1268498

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36 MATERIALS SCIENCE↗