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DOE OSTI · 1689628

Materials Data on Cs2BeCl4 by Materials Project

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Abstract

Cs2BeCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.69–4.10 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.44–3.81 Å. Be2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Be–Cl bond distances ranging from 2.03–2.06 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Cs1+ and one Be2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Cs1+ and one Be2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Cs1+ and one Be2+ atom.

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36 MATERIALS SCIENCEBe-Cl-Cscrystal structureCs2BeCl4

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2020-05-09. Materials Data on Cs2BeCl4 by Materials Project. https://doi.org/10.17188/1689628

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