U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2LiRhF6 by Materials Project
Abstract
K2LiRhF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent RhF6 octahedra. All K–F bond lengths are 2.90 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent RhF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.08 Å. Rh3+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–F bond lengths are 2.02 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Rh3+ atom.
- Publication Date:
- Other Number(s):
- mp-1111665
- 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; F-K-Li-Rh; K2LiRhF6; crystal structure
- OSTI Identifier:
- 1699057
- DOI:
- https://doi.org/10.17188/1699057
Citation Formats
Materials Data on K2LiRhF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699057.
Materials Data on K2LiRhF6 by Materials Project. United States. doi:https://doi.org/10.17188/1699057
2020.
"Materials Data on K2LiRhF6 by Materials Project". United States. doi:https://doi.org/10.17188/1699057. https://www.osti.gov/servlets/purl/1699057. Pub date:Sat May 09 04:00:00 UTC 2020
@article{osti_1699057,
title = {Materials Data on K2LiRhF6 by Materials Project},
abstractNote = {K2LiRhF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent RhF6 octahedra. All K–F bond lengths are 2.90 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent RhF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.08 Å. Rh3+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–F bond lengths are 2.02 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Rh3+ atom.},
doi = {10.17188/1699057},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}