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DOE OSTI · 1327943

Materials Data on Cs2Se by Materials Project

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Abstract

Cs2Se crystallizes in the orthorhombic P222_1 space group. The structure is two-dimensional and consists of one Cs2Se sheet oriented in the (0, 1, 0) direction. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (3.55 Å) and two longer (3.64 Å) Cs–Se bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted L-shaped geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.65 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted L-shaped geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.67 Å. Se2- is bonded in a 5-coordinate geometry to five 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/10.17188/1327943

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