U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag3SI by Materials Project
Abstract
Ag3SI crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ag3SI sheet oriented in the (1, 1, -1) direction. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a single-bond geometry to one Ag1+ and one S2- atom. The Ag–Ag bond length is 2.08 Å. The Ag–S bond length is 1.19 Å. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, one S2-, and two I1- atoms. The Ag–S bond length is 2.61 Å. There are one shorter (2.85 Å) and one longer (3.35 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two S2- and one I1- atom. There are one shorter (2.79 Å) and one longer (2.80 Å) Ag–S bond lengths. The Ag–I bond length is 2.71 Å. In the fourth Ag1+ site, Ag1+ is bonded in a single-bond geometry to one Ag1+ and one S2- atom. The Ag–Ag bond length is 2.01 Å. The Ag–S bond length is 1.17 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, one S2-, and two I1- atoms.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-673825
- 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; Ag3SI; Ag-I-S
- OSTI Identifier:
- 1282407
- DOI:
- https://doi.org/10.17188/1282407
Citation Formats
The Materials Project. Materials Data on Ag3SI by Materials Project. United States: N. p., 2013.
Web. doi:10.17188/1282407.
The Materials Project. Materials Data on Ag3SI by Materials Project. United States. doi:https://doi.org/10.17188/1282407
The Materials Project. 2013.
"Materials Data on Ag3SI by Materials Project". United States. doi:https://doi.org/10.17188/1282407. https://www.osti.gov/servlets/purl/1282407. Pub date:Sat Oct 26 00:00:00 EDT 2013
@article{osti_1282407,
title = {Materials Data on Ag3SI by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3SI crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ag3SI sheet oriented in the (1, 1, -1) direction. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a single-bond geometry to one Ag1+ and one S2- atom. The Ag–Ag bond length is 2.08 Å. The Ag–S bond length is 1.19 Å. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, one S2-, and two I1- atoms. The Ag–S bond length is 2.61 Å. There are one shorter (2.85 Å) and one longer (3.35 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two S2- and one I1- atom. There are one shorter (2.79 Å) and one longer (2.80 Å) Ag–S bond lengths. The Ag–I bond length is 2.71 Å. In the fourth Ag1+ site, Ag1+ is bonded in a single-bond geometry to one Ag1+ and one S2- atom. The Ag–Ag bond length is 2.01 Å. The Ag–S bond length is 1.17 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, one S2-, and two I1- atoms. The Ag–S bond length is 2.57 Å. There are one shorter (2.86 Å) and one longer (3.34 Å) Ag–I bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a distorted single-bond geometry to one I1- atom. The Ag–I bond length is 2.15 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three Ag1+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to three Ag1+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to three Ag1+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to three Ag1+ atoms.},
doi = {10.17188/1282407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2013},
month = {10}
}