Materials Data on KNaThF6 by Materials Project
Abstract
KNaThF6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.72–2.90 Å. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.29 Å) and three longer (2.53 Å) Na–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 2.30–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+, one Na1+, and one Th4+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one K1+, one Na1+, and two equivalent Th4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-556741
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KNaThF6; F-K-Na-Th
- OSTI Identifier:
- 1269510
- DOI:
- https://doi.org/10.17188/1269510
Citation Formats
The Materials Project. Materials Data on KNaThF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269510.
The Materials Project. Materials Data on KNaThF6 by Materials Project. United States. doi:https://doi.org/10.17188/1269510
The Materials Project. 2020.
"Materials Data on KNaThF6 by Materials Project". United States. doi:https://doi.org/10.17188/1269510. https://www.osti.gov/servlets/purl/1269510. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1269510,
title = {Materials Data on KNaThF6 by Materials Project},
author = {The Materials Project},
abstractNote = {KNaThF6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.72–2.90 Å. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.29 Å) and three longer (2.53 Å) Na–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 2.30–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+, one Na1+, and one Th4+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one K1+, one Na1+, and two equivalent Th4+ atoms.},
doi = {10.17188/1269510},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}