U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3TaF8 by Materials Project
Abstract
K3TaF8 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.93 Å. Ta5+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There is three shorter (1.97 Å) and four longer (1.99 Å) Ta–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to six equivalent K1+ atoms to form face-sharing FK6 octahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Ta5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Ta5+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Ta5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-866663
- 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; K3TaF8; F-K-Ta
- OSTI Identifier:
- 1311654
- DOI:
- https://doi.org/10.17188/1311654
Citation Formats
The Materials Project. Materials Data on K3TaF8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311654.
The Materials Project. Materials Data on K3TaF8 by Materials Project. United States. doi:https://doi.org/10.17188/1311654
The Materials Project. 2020.
"Materials Data on K3TaF8 by Materials Project". United States. doi:https://doi.org/10.17188/1311654. https://www.osti.gov/servlets/purl/1311654. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1311654,
title = {Materials Data on K3TaF8 by Materials Project},
author = {The Materials Project},
abstractNote = {K3TaF8 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.93 Å. Ta5+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There is three shorter (1.97 Å) and four longer (1.99 Å) Ta–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to six equivalent K1+ atoms to form face-sharing FK6 octahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Ta5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Ta5+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Ta5+ atom.},
doi = {10.17188/1311654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}