U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KNbF6 by Materials Project
Abstract
KNbF6 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.69 Å) and four longer (3.14 Å) K–F bond lengths. Nb5+ is bonded in an octahedral geometry to six F1- atoms. All Nb–F bond lengths are 1.94 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent K1+ and one Nb5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Nb5+ atom.
- Publication Date:
- Other Number(s):
- mp-7571
- 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-Nb; KNbF6; crystal structure
- OSTI Identifier:
- 1290704
- DOI:
- https://doi.org/10.17188/1290704
Citation Formats
Materials Data on KNbF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290704.
Materials Data on KNbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1290704
2020.
"Materials Data on KNbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1290704. https://www.osti.gov/servlets/purl/1290704. Pub date:Sat May 09 04:00:00 UTC 2020
@article{osti_1290704,
title = {Materials Data on KNbF6 by Materials Project},
abstractNote = {KNbF6 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.69 Å) and four longer (3.14 Å) K–F bond lengths. Nb5+ is bonded in an octahedral geometry to six F1- atoms. All Nb–F bond lengths are 1.94 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent K1+ and one Nb5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Nb5+ atom.},
doi = {10.17188/1290704},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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