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DOE OSTI · 1189737

Materials Data on AgAsS2 by Materials Project

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Abstract

AgAsS2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.64–3.37 Å. As3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.25–2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ag1+ and two equivalent As3+ atoms. In the second S2- site, S2- is bonded to three equivalent Ag1+ and one As3+ atom to form distorted corner-sharing SAg3As tetrahedra.

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36 MATERIALS SCIENCEAg-As-SAgAsS2crystal structure

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2017-05-11. Materials Data on AgAsS2 by Materials Project. https://doi.org/10.17188/1189737

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