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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ag3AsS3 by Materials Project

Ag3AsS3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ag1+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. There are two shorter (2.46 Å) and one longer (2.79 Å) Ag–S bond lengths. As3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All As–S bond lengths are 2.31 Å. S2- is bonded to three equivalent Ag1+ and one As3+ atom to form distorted corner-sharing SAg3As trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3AsS3 by Materials Project

Ag3AsS3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.47–2.55 Å. As3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All As–S bond lengths are 2.30 Å. S2- is bonded to three equivalent Ag1+ and one As3+ atom to form corner-sharing SAg3As tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3AsS3 by Materials Project

Ag3AsS3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.48–3.48 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.19 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.09 Å. As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.29 Å) and one longer (2.34 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Ag1+ and one As3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Ag1+ and one As3+ atom. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to three Ag1+ and one As3+ atom.

36 MATERIALS SCIENCE↗