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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1206916
- Report Number(s):
- mp-34982
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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