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DOE OSTI · 1754844

Materials Data on Cs2Se by Materials Project

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Abstract

Cs2Se is Cotunnite-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Cs2Se sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Cs–Se bond lengths are 3.60 Å. In the second Cs1+ site, Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing CsSe4 tetrahedra. There are three shorter (3.60 Å) and one longer (3.91 Å) Cs–Se bond lengths. Se2- is bonded in a 7-coordinate geometry to seven Cs1+ atoms.

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36 MATERIALS SCIENCEcrystal structureCs-SeCs2Se

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2020-05-02. Materials Data on Cs2Se by Materials Project. https://doi.org/10.17188/1754844

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