U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2ZrF6 by Materials Project
Abstract
Li2ZrF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent ZrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–F bond lengths are 2.06 Å. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with twelve equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Zr–F bond lengths are 2.05 Å. F1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Zr4+ atom.
- Publication Date:
- Other Number(s):
- mp-4002
- 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-Li-Zr; Li2ZrF6; crystal structure
- OSTI Identifier:
- 1207720
- DOI:
- https://doi.org/10.17188/1207720
Citation Formats
Materials Data on Li2ZrF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207720.
Materials Data on Li2ZrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1207720
2020.
"Materials Data on Li2ZrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1207720. https://www.osti.gov/servlets/purl/1207720. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207720,
title = {Materials Data on Li2ZrF6 by Materials Project},
abstractNote = {Li2ZrF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent ZrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–F bond lengths are 2.06 Å. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with twelve equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Zr–F bond lengths are 2.05 Å. F1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Zr4+ atom.},
doi = {10.17188/1207720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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