U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KTh6F25 by Materials Project
Abstract
KTh6F25 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.19 Å) and six longer (3.24 Å) K–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.34–2.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms.
- Publication Date:
- Other Number(s):
- mp-27185
- 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-Th; KTh6F25; crystal structure
- OSTI Identifier:
- 1201395
- DOI:
- https://doi.org/10.17188/1201395
Citation Formats
Materials Data on KTh6F25 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201395.
Materials Data on KTh6F25 by Materials Project. United States. doi:https://doi.org/10.17188/1201395
2020.
"Materials Data on KTh6F25 by Materials Project". United States. doi:https://doi.org/10.17188/1201395. https://www.osti.gov/servlets/purl/1201395. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1201395,
title = {Materials Data on KTh6F25 by Materials Project},
abstractNote = {KTh6F25 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.19 Å) and six longer (3.24 Å) K–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.34–2.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms.},
doi = {10.17188/1201395},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}