U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCuF3 by Materials Project
Abstract
KCuF3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All K–F bond lengths are 2.59 Å. Cu2+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.87 Å) and two longer (1.92 Å) Cu–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Cu2+ atom.
- Publication Date:
- Other Number(s):
- mp-556045
- 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; Cu-F-K; KCuF3; crystal structure
- OSTI Identifier:
- 1269135
- DOI:
- https://doi.org/10.17188/1269135
Citation Formats
Materials Data on KCuF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269135.
Materials Data on KCuF3 by Materials Project. United States. doi:https://doi.org/10.17188/1269135
2020.
"Materials Data on KCuF3 by Materials Project". United States. doi:https://doi.org/10.17188/1269135. https://www.osti.gov/servlets/purl/1269135. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1269135,
title = {Materials Data on KCuF3 by Materials Project},
abstractNote = {KCuF3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All K–F bond lengths are 2.59 Å. Cu2+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.87 Å) and two longer (1.92 Å) Cu–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Cu2+ atom.},
doi = {10.17188/1269135},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 04:00:00 UTC 2020},
month = {Wed Jul 15 04:00:00 UTC 2020}
}
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