U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2IrF6 by Materials Project
Abstract
K2IrF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent KF12 cuboctahedra, corners with three equivalent IrF6 octahedra, faces with eight equivalent KF12 cuboctahedra, and faces with three equivalent IrF6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of K–F bond distances ranging from 2.88–3.01 Å. Ir4+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with six equivalent KF12 cuboctahedra. All Ir–F bond lengths are 1.97 Å. F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ir4+ atom.
- Publication Date:
- Other Number(s):
- mp-11174
- 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-Ir-K; K2IrF6; crystal structure
- OSTI Identifier:
- 1187610
- DOI:
- https://doi.org/10.17188/1187610
Citation Formats
Materials Data on K2IrF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187610.
Materials Data on K2IrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1187610
2020.
"Materials Data on K2IrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1187610. https://www.osti.gov/servlets/purl/1187610. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1187610,
title = {Materials Data on K2IrF6 by Materials Project},
abstractNote = {K2IrF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent KF12 cuboctahedra, corners with three equivalent IrF6 octahedra, faces with eight equivalent KF12 cuboctahedra, and faces with three equivalent IrF6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of K–F bond distances ranging from 2.88–3.01 Å. Ir4+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with six equivalent KF12 cuboctahedra. All Ir–F bond lengths are 1.97 Å. F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ir4+ atom.},
doi = {10.17188/1187610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}