U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLiICl by Materials Project
Abstract
KLiICl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent I1- and four equivalent Cl1- atoms to form a mixture of corner and edge-sharing KI2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both K–I bond lengths are 3.43 Å. All K–Cl bond lengths are 3.05 Å. Li1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Li–I bond lengths are 3.05 Å. I1- is bonded to two equivalent K1+ and four equivalent Li1+ atoms to form a mixture of corner and edge-sharing IK2Li4 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent K1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1021327
- 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; Cl-I-K-Li; KLiICl; crystal structure
- OSTI Identifier:
- 1351475
- DOI:
- https://doi.org/10.17188/1351475
Citation Formats
Materials Data on KLiICl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1351475.
Materials Data on KLiICl by Materials Project. United States. doi:https://doi.org/10.17188/1351475
2020.
"Materials Data on KLiICl by Materials Project". United States. doi:https://doi.org/10.17188/1351475. https://www.osti.gov/servlets/purl/1351475. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1351475,
title = {Materials Data on KLiICl by Materials Project},
abstractNote = {KLiICl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent I1- and four equivalent Cl1- atoms to form a mixture of corner and edge-sharing KI2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both K–I bond lengths are 3.43 Å. All K–Cl bond lengths are 3.05 Å. Li1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Li–I bond lengths are 3.05 Å. I1- is bonded to two equivalent K1+ and four equivalent Li1+ atoms to form a mixture of corner and edge-sharing IK2Li4 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent K1+ atoms.},
doi = {10.17188/1351475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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