Materials Data on CsAg3S2 by Materials Project
Abstract
CsAg3S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.57–3.74 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.60 Å) and one longer (2.66 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.55 Å) and two longer (2.63 Å) Ag–S bond lengths. In the third Ag1+ site, Ag1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There are one shorter (2.49 Å) and one longer (2.58 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and four Ag1+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four Ag1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-561902
- 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; CsAg3S2; Ag-Cs-S
- OSTI Identifier:
- 1272261
- DOI:
- https://doi.org/10.17188/1272261
Citation Formats
The Materials Project. Materials Data on CsAg3S2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272261.
The Materials Project. Materials Data on CsAg3S2 by Materials Project. United States. doi:https://doi.org/10.17188/1272261
The Materials Project. 2020.
"Materials Data on CsAg3S2 by Materials Project". United States. doi:https://doi.org/10.17188/1272261. https://www.osti.gov/servlets/purl/1272261. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1272261,
title = {Materials Data on CsAg3S2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAg3S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.57–3.74 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.60 Å) and one longer (2.66 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.55 Å) and two longer (2.63 Å) Ag–S bond lengths. In the third Ag1+ site, Ag1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There are one shorter (2.49 Å) and one longer (2.58 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and four Ag1+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four Ag1+ atoms.},
doi = {10.17188/1272261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}