U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2ZrF6 by Materials Project
Abstract
K2ZrF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.71–3.26 Å. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.08–2.24 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Zr4+ atom.
- Publication Date:
- Other Number(s):
- mp-5450
- 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-Zr; K2ZrF6; crystal structure
- OSTI Identifier:
- 1266986
- DOI:
- https://doi.org/10.17188/1266986
Citation Formats
Materials Data on K2ZrF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266986.
Materials Data on K2ZrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1266986
2020.
"Materials Data on K2ZrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1266986. https://www.osti.gov/servlets/purl/1266986. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266986,
title = {Materials Data on K2ZrF6 by Materials Project},
abstractNote = {K2ZrF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.71–3.26 Å. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.08–2.24 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Zr4+ atom.},
doi = {10.17188/1266986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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