U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KU6F25 by Materials Project
Abstract
KU6F25 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a distorted cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.10 Å) and six longer (3.15 Å) K–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.29–2.48 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U4+ atoms. In the third F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent U4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent U4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211824
- 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; KU6F25; F-K-U
- OSTI Identifier:
- 1652147
- DOI:
- https://doi.org/10.17188/1652147
Citation Formats
The Materials Project. Materials Data on KU6F25 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652147.
The Materials Project. Materials Data on KU6F25 by Materials Project. United States. doi:https://doi.org/10.17188/1652147
The Materials Project. 2020.
"Materials Data on KU6F25 by Materials Project". United States. doi:https://doi.org/10.17188/1652147. https://www.osti.gov/servlets/purl/1652147. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652147,
title = {Materials Data on KU6F25 by Materials Project},
author = {The Materials Project},
abstractNote = {KU6F25 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a distorted cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.10 Å) and six longer (3.15 Å) K–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.29–2.48 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U4+ atoms. In the third F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent U4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent U4+ atoms.},
doi = {10.17188/1652147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}