U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KH3F4 by Materials Project
Abstract
KH3F4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are six shorter (2.74 Å) and two longer (3.10 Å) K–F bond lengths. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.00 Å) and one longer (1.41 Å) H–F bond length. 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 H1+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent K1+ and three equivalent H1+ atoms.
- Publication Date:
- Other Number(s):
- mp-29331
- 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-H-K; KH3F4; crystal structure
- OSTI Identifier:
- 1203689
- DOI:
- https://doi.org/10.17188/1203689
Citation Formats
Materials Data on KH3F4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203689.
Materials Data on KH3F4 by Materials Project. United States. doi:https://doi.org/10.17188/1203689
2020.
"Materials Data on KH3F4 by Materials Project". United States. doi:https://doi.org/10.17188/1203689. https://www.osti.gov/servlets/purl/1203689. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203689,
title = {Materials Data on KH3F4 by Materials Project},
abstractNote = {KH3F4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are six shorter (2.74 Å) and two longer (3.10 Å) K–F bond lengths. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.00 Å) and one longer (1.41 Å) H–F bond length. 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 H1+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent K1+ and three equivalent H1+ atoms.},
doi = {10.17188/1203689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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