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DOE OSTI · 1689807

Materials Data on Ge2SeS by Materials Project

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Abstract

Ge2SeS crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two Ge2SeS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded in a 5-coordinate geometry to two equivalent Se2- and one S2- atom. Both Ge–Se bond lengths are 2.58 Å. The Ge–S bond length is 2.44 Å. In the second Ge2+ site, Ge2+ is bonded in a 3-coordinate geometry to one Se2- and two equivalent S2- atoms. The Ge–Se bond length is 2.61 Å. Both Ge–S bond lengths are 2.48 Å. Se2- is bonded in a 3-coordinate geometry to three Ge2+ atoms. S2- is bonded in a trigonal non-coplanar geometry to three Ge2+ atoms.

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36 MATERIALS SCIENCEcrystal structureGe-S-SeGe2SeS

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2020-05-03. Materials Data on Ge2SeS by Materials Project. https://doi.org/10.17188/1689807

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