U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsAg7S4 by Materials Project
Abstract
CsAg7S4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.67 Å) and four longer (3.70 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.69 Å) and four longer (3.76 Å) Cs–S bond lengths. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.42 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.14 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.62–2.65 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.66 Å. There aremore »
- Publication Date:
- Other Number(s):
- mp-1198931
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ag-Cs-S; CsAg7S4; crystal structure
- OSTI Identifier:
- 1685660
- DOI:
- https://doi.org/10.17188/1685660
Citation Formats
Materials Data on CsAg7S4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685660.
Materials Data on CsAg7S4 by Materials Project. United States. doi:https://doi.org/10.17188/1685660
2020.
"Materials Data on CsAg7S4 by Materials Project". United States. doi:https://doi.org/10.17188/1685660. https://www.osti.gov/servlets/purl/1685660. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1685660,
title = {Materials Data on CsAg7S4 by Materials Project},
abstractNote = {CsAg7S4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.67 Å) and four longer (3.70 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.69 Å) and four longer (3.76 Å) Cs–S bond lengths. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.42 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.14 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.62–2.65 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.66 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two Cs1+ and five Ag1+ atoms. In the second S2- site, S2- is bonded in a 8-coordinate geometry to two Cs1+ and six Ag1+ atoms.},
doi = {10.17188/1685660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}