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DOE OSTI · 1198873

Materials Data on InAg(PS3)2 by Materials Project

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Abstract

AgInP2S6 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgInP2S6 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share edges with three equivalent InS6 octahedra. All Ag–S bond lengths are 2.80 Å. In1+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share edges with three equivalent AgS6 octahedra. All In–S bond lengths are 2.69 Å. P5+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. S2- is bonded in a 3-coordinate geometry to one Ag1+, one In1+, and one P5+ atom.

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36 MATERIALS SCIENCEAg-In-P-Scrystal structureInAg(PS3)2

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2020-07-15. Materials Data on InAg(PS3)2 by Materials Project. https://doi.org/10.17188/1198873

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