U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsBrF6 by Materials Project
Abstract
CsBrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with six equivalent BrF6 octahedra, edges with six equivalent CsF12 cuboctahedra, and faces with two equivalent BrF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are six shorter (3.20 Å) and six longer (3.36 Å) Cs–F bond lengths. Br5+ is bonded to six equivalent F1- atoms to form BrF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with two equivalent CsF12 cuboctahedra. All Br–F bond lengths are 1.90 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Br5+ atom.
- Publication Date:
- Other Number(s):
- mp-541226
- 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; Br-Cs-F; CsBrF6; crystal structure
- OSTI Identifier:
- 1265005
- DOI:
- https://doi.org/10.17188/1265005
Citation Formats
Materials Data on CsBrF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265005.
Materials Data on CsBrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1265005
2020.
"Materials Data on CsBrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1265005. https://www.osti.gov/servlets/purl/1265005. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1265005,
title = {Materials Data on CsBrF6 by Materials Project},
abstractNote = {CsBrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with six equivalent BrF6 octahedra, edges with six equivalent CsF12 cuboctahedra, and faces with two equivalent BrF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are six shorter (3.20 Å) and six longer (3.36 Å) Cs–F bond lengths. Br5+ is bonded to six equivalent F1- atoms to form BrF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with two equivalent CsF12 cuboctahedra. All Br–F bond lengths are 1.90 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Br5+ atom.},
doi = {10.17188/1265005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.