U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KAgCl3 by Materials Project
Abstract
KAgCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.78 Å. Ag2+ is bonded to six equivalent Cl1- atoms to form corner-sharing AgCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ag–Cl bond lengths are 2.58 Å. Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.
- Publication Date:
- Other Number(s):
- mp-998750
- 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-Cl-K; KAgCl3; crystal structure
- OSTI Identifier:
- 1317390
- DOI:
- https://doi.org/10.17188/1317390
Citation Formats
Materials Data on KAgCl3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1317390.
Materials Data on KAgCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317390
2017.
"Materials Data on KAgCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317390. https://www.osti.gov/servlets/purl/1317390. Pub date:Tue May 09 04:00:00 UTC 2017
@article{osti_1317390,
title = {Materials Data on KAgCl3 by Materials Project},
abstractNote = {KAgCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.78 Å. Ag2+ is bonded to six equivalent Cl1- atoms to form corner-sharing AgCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ag–Cl bond lengths are 2.58 Å. Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.},
doi = {10.17188/1317390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}
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