U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KF3 by Materials Project
Abstract
KF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of K–F bond distances ranging from 2.73–2.90 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of K–F bond distances ranging from 2.71–3.11 Å. There are six inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to three K atoms. In the second F site, F is bonded in a rectangular see-saw-like geometry to four K atoms. In the third F site, F is bonded in a distorted trigonal non-coplanar geometry to three K atoms. In the fourth F site, F is bonded in a distorted single-bond geometry to two equivalent K atoms. In the fifth F site, F is bonded in a 3-coordinate geometry to three K atoms. In the sixth F site, F is bonded in a distorted trigonal planar geometry to three K atoms.
- Publication Date:
- Other Number(s):
- mp-867934
- 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; KF3; crystal structure
- OSTI Identifier:
- 1312290
- DOI:
- https://doi.org/10.17188/1312290
Citation Formats
Materials Data on KF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312290.
Materials Data on KF3 by Materials Project. United States. doi:https://doi.org/10.17188/1312290
2020.
"Materials Data on KF3 by Materials Project". United States. doi:https://doi.org/10.17188/1312290. https://www.osti.gov/servlets/purl/1312290. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1312290,
title = {Materials Data on KF3 by Materials Project},
abstractNote = {KF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of K–F bond distances ranging from 2.73–2.90 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of K–F bond distances ranging from 2.71–3.11 Å. There are six inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to three K atoms. In the second F site, F is bonded in a rectangular see-saw-like geometry to four K atoms. In the third F site, F is bonded in a distorted trigonal non-coplanar geometry to three K atoms. In the fourth F site, F is bonded in a distorted single-bond geometry to two equivalent K atoms. In the fifth F site, F is bonded in a 3-coordinate geometry to three K atoms. In the sixth F site, F is bonded in a distorted trigonal planar geometry to three K atoms.},
doi = {10.17188/1312290},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}