U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLuBeF6 by Materials Project
Abstract
KBeLuF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of K–F bond distances ranging from 2.76–3.24 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.54 Å) and three longer (1.57 Å) Be–F bond length. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.19–2.39 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+, one Be2+, and one Lu3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one K1+, one Be2+, and one Lu3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Lu3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+, one Be2+, and one Lu3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211243
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KLuBeF6; Be-F-K-Lu
- OSTI Identifier:
- 1709694
- DOI:
- https://doi.org/10.17188/1709694
Citation Formats
The Materials Project. Materials Data on KLuBeF6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1709694.
The Materials Project. Materials Data on KLuBeF6 by Materials Project. United States. doi:https://doi.org/10.17188/1709694
The Materials Project. 2019.
"Materials Data on KLuBeF6 by Materials Project". United States. doi:https://doi.org/10.17188/1709694. https://www.osti.gov/servlets/purl/1709694. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1709694,
title = {Materials Data on KLuBeF6 by Materials Project},
author = {The Materials Project},
abstractNote = {KBeLuF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of K–F bond distances ranging from 2.76–3.24 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.54 Å) and three longer (1.57 Å) Be–F bond length. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.19–2.39 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+, one Be2+, and one Lu3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one K1+, one Be2+, and one Lu3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Lu3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+, one Be2+, and one Lu3+ atom.},
doi = {10.17188/1709694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}