U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLu3F10 by Materials Project
Abstract
KLu3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to sixteen F1- atoms to form distorted edge-sharing KF16 tetrahedra. There are four shorter (2.72 Å) and twelve longer (3.16 Å) K–F bond lengths. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.16 Å) and four longer (2.32 Å) Lu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Lu3+ atoms. In the second F1- site, F1- is bonded to one K1+ and three equivalent Lu3+ atoms to form a mixture of edge and corner-sharing FKLu3 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1211423
- 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-Lu; KLu3F10; crystal structure
- OSTI Identifier:
- 1711929
- DOI:
- https://doi.org/10.17188/1711929
Citation Formats
Materials Data on KLu3F10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711929.
Materials Data on KLu3F10 by Materials Project. United States. doi:https://doi.org/10.17188/1711929
2020.
"Materials Data on KLu3F10 by Materials Project". United States. doi:https://doi.org/10.17188/1711929. https://www.osti.gov/servlets/purl/1711929. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1711929,
title = {Materials Data on KLu3F10 by Materials Project},
abstractNote = {KLu3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to sixteen F1- atoms to form distorted edge-sharing KF16 tetrahedra. There are four shorter (2.72 Å) and twelve longer (3.16 Å) K–F bond lengths. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.16 Å) and four longer (2.32 Å) Lu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Lu3+ atoms. In the second F1- site, F1- is bonded to one K1+ and three equivalent Lu3+ atoms to form a mixture of edge and corner-sharing FKLu3 tetrahedra.},
doi = {10.17188/1711929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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