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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ag3AuS2 by Materials Project

Ag3AuS2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Au1+ is bonded in a 2-coordinate geometry to six equivalent Ag1+ and two S2- atoms. There are three shorter (3.08 Å) and three longer (3.12 Å) Au–Ag bond lengths. Both Au–S bond lengths are 2.37 Å. Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, four equivalent Ag1+, and four S2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.95–3.10 Å. There are a spread of Ag–S bond distances ranging from 2.66–2.87 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to one Au1+ and six equivalent Ag1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to one Au1+ and six equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3AuS2 by Materials Project

Ag3AuS2 is beta Tridymite-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Au1+ is bonded in a linear geometry to two S2- atoms. Both Au–S bond lengths are 2.31 Å. Ag1+ is bonded in a linear geometry to two S2- atoms. Both Ag–S bond lengths are 2.38 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Au1+ and three equivalent Ag1+ atoms to form corner-sharing SAg3Au tetrahedra. In the second S2- site, S2- is bonded to one Au1+ and three equivalent Ag1+ atoms to form corner-sharing SAg3Au tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3AuS2 by Materials Project

Ag3AuS2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Au1+ is bonded in a 7-coordinate geometry to five Ag1+ and two S2- atoms. There are a spread of Au–Ag bond distances ranging from 2.93–3.14 Å. Both Au–S bond lengths are 2.36 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to two equivalent Au1+, two Ag1+, and three S2- atoms. There are one shorter (2.84 Å) and one longer (2.91 Å) Ag–Ag bond lengths. There are a spread of Ag–S bond distances ranging from 2.59–2.66 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one Au1+, one Ag1+, and four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.55–2.99 Å. In the third Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two equivalent Au1+, one Ag1+, and three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.48–2.81 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to one Au1+ and five Ag1+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to one Au1+ and five Ag1+ atoms.

36 MATERIALS SCIENCE↗