U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbAg3S2 by Materials Project
Abstract
RbAg3S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.42–3.68 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.53 Å) and two longer (2.63 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a bent 120 degrees geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.49–3.28 Å. In the third 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 (2.68 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to three equivalent Rb1+ and six Ag1+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and four Ag1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1205335
- 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; RbAg3S2; Ag-Rb-S
- OSTI Identifier:
- 1717091
- DOI:
- https://doi.org/10.17188/1717091
Citation Formats
The Materials Project. Materials Data on RbAg3S2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717091.
The Materials Project. Materials Data on RbAg3S2 by Materials Project. United States. doi:https://doi.org/10.17188/1717091
The Materials Project. 2020.
"Materials Data on RbAg3S2 by Materials Project". United States. doi:https://doi.org/10.17188/1717091. https://www.osti.gov/servlets/purl/1717091. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1717091,
title = {Materials Data on RbAg3S2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAg3S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.42–3.68 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.53 Å) and two longer (2.63 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a bent 120 degrees geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.49–3.28 Å. In the third 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 (2.68 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to three equivalent Rb1+ and six Ag1+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and four Ag1+ atoms.},
doi = {10.17188/1717091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}