Materials Data on Ag3AuS2 by Materials Project
Abstract
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 inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-34982
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ag3AuS2; Ag-Au-S
- OSTI Identifier:
- 1206916
- DOI:
- https://doi.org/10.17188/1206916
Citation Formats
The Materials Project. Materials Data on Ag3AuS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206916.
The Materials Project. Materials Data on Ag3AuS2 by Materials Project. United States. doi:https://doi.org/10.17188/1206916
The Materials Project. 2020.
"Materials Data on Ag3AuS2 by Materials Project". United States. doi:https://doi.org/10.17188/1206916. https://www.osti.gov/servlets/purl/1206916. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1206916,
title = {Materials Data on Ag3AuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1206916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}