Materials Data on Al(Ag3S2)3 by Materials Project
Abstract
Ag9AlS6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–2.71 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.78 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.47–3.11 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are one shorter (2.51 Å) and two longer (2.68 Å) Ag–S bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–2.92 Å. In the sixth Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–3.25 Å. In the seventh Ag1+ site, Ag1+ is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-675325
- 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; Al(Ag3S2)3; Ag-Al-S
- OSTI Identifier:
- 1282661
- DOI:
- https://doi.org/10.17188/1282661
Citation Formats
The Materials Project. Materials Data on Al(Ag3S2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282661.
The Materials Project. Materials Data on Al(Ag3S2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1282661
The Materials Project. 2020.
"Materials Data on Al(Ag3S2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1282661. https://www.osti.gov/servlets/purl/1282661. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1282661,
title = {Materials Data on Al(Ag3S2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag9AlS6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–2.71 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.78 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.47–3.11 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are one shorter (2.51 Å) and two longer (2.68 Å) Ag–S bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–2.92 Å. In the sixth Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–3.25 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.48–2.95 Å. In the eighth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.41 Å) and one longer (2.47 Å) Ag–S bond lengths. In the ninth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–2.61 Å. Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Al–S bond distances ranging from 2.24–2.30 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Ag1+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ag1+ and one Al3+ atom. In the third S2- site, S2- is bonded in a distorted see-saw-like geometry to three Ag1+ and one Al3+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Ag1+ and one Al3+ atom. In the fifth S2- site, S2- is bonded in a 7-coordinate geometry to six Ag1+ and one Al3+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to five Ag1+ atoms.},
doi = {10.17188/1282661},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}