U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3CO3F by Materials Project
Abstract
K3CO3F crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded to five equivalent O2- and two equivalent F1- atoms to form a mixture of distorted face, edge, and corner-sharing KO5F2 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.05 Å. Both K–F bond lengths are 2.64 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one C4+ atom. F1- is bonded to six equivalent K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 25°.
- Publication Date:
- Other Number(s):
- mp-8773
- 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; C-F-K-O; K3CO3F; crystal structure
- OSTI Identifier:
- 1312705
- DOI:
- https://doi.org/10.17188/1312705
Citation Formats
Materials Data on K3CO3F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312705.
Materials Data on K3CO3F by Materials Project. United States. doi:https://doi.org/10.17188/1312705
2020.
"Materials Data on K3CO3F by Materials Project". United States. doi:https://doi.org/10.17188/1312705. https://www.osti.gov/servlets/purl/1312705. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1312705,
title = {Materials Data on K3CO3F by Materials Project},
abstractNote = {K3CO3F crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded to five equivalent O2- and two equivalent F1- atoms to form a mixture of distorted face, edge, and corner-sharing KO5F2 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.05 Å. Both K–F bond lengths are 2.64 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one C4+ atom. F1- is bonded to six equivalent K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 25°.},
doi = {10.17188/1312705},
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.