U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCdCl3 by Materials Project
Abstract
KCdCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.54 Å. Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.55–2.75 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Cd2+ atom.
- Publication Date:
- Other Number(s):
- mp-23442
- 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; Cd-Cl-K; KCdCl3; crystal structure
- OSTI Identifier:
- 1199513
- DOI:
- https://doi.org/10.17188/1199513
Citation Formats
Materials Data on KCdCl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199513.
Materials Data on KCdCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1199513
2020.
"Materials Data on KCdCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1199513. https://www.osti.gov/servlets/purl/1199513. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1199513,
title = {Materials Data on KCdCl3 by Materials Project},
abstractNote = {KCdCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.54 Å. Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.55–2.75 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Cd2+ atom.},
doi = {10.17188/1199513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}