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DOE OSTI · 1297022

Materials Data on K2S3 by Materials Project

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Abstract

K2S3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S+0.67- atoms. There are a spread of K–S bond distances ranging from 3.24–3.37 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.67- atoms. There are a spread of K–S bond distances ranging from 3.14–3.61 Å. There are two inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a 7-coordinate geometry to six K1+ and one S+0.67- atom. The S–S bond length is 2.10 Å. In the second S+0.67- site, S+0.67- is bonded in a 5-coordinate geometry to three K1+ and two equivalent S+0.67- atoms.

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36 MATERIALS SCIENCEcrystal structureK-SK2S3

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2017-07-24. Materials Data on K2S3 by Materials Project. https://doi.org/10.17188/1297022

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