U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsAg2I3 by Materials Project
Abstract
CsAg2I3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.99–4.29 Å. Ag1+ is bonded to four I1- atoms to form a mixture of distorted corner and edge-sharing AgI4 tetrahedra. There are a spread of Ag–I bond distances ranging from 2.83–3.00 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Ag1+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Ag1+ atoms. In the third I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four equivalent Ag1+ atoms.
- Publication Date:
- Other Number(s):
- mp-23496
- 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-I; CsAg2I3; crystal structure
- OSTI Identifier:
- 1199549
- DOI:
- https://doi.org/10.17188/1199549
Citation Formats
Materials Data on CsAg2I3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199549.
Materials Data on CsAg2I3 by Materials Project. United States. doi:https://doi.org/10.17188/1199549
2020.
"Materials Data on CsAg2I3 by Materials Project". United States. doi:https://doi.org/10.17188/1199549. https://www.osti.gov/servlets/purl/1199549. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1199549,
title = {Materials Data on CsAg2I3 by Materials Project},
abstractNote = {CsAg2I3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.99–4.29 Å. Ag1+ is bonded to four I1- atoms to form a mixture of distorted corner and edge-sharing AgI4 tetrahedra. There are a spread of Ag–I bond distances ranging from 2.83–3.00 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Ag1+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Ag1+ atoms. In the third I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four equivalent Ag1+ atoms.},
doi = {10.17188/1199549},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}