U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3Li3Ti2F12 by Materials Project
Abstract
Na3Li3Ti2F12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.42 Å) and four longer (2.58 Å) Na–F bond lengths. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Li–F bond lengths are 1.89 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent LiF4 tetrahedra. All Ti–F bond lengths are 2.00 Å. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Li1+, and one Ti3+ atom.
- Publication Date:
- Other Number(s):
- mp-14457
- 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-Na-Ti; Na3Li3Ti2F12; crystal structure
- OSTI Identifier:
- 1190688
- DOI:
- https://doi.org/10.17188/1190688
Citation Formats
Materials Data on Na3Li3Ti2F12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190688.
Materials Data on Na3Li3Ti2F12 by Materials Project. United States. doi:https://doi.org/10.17188/1190688
2020.
"Materials Data on Na3Li3Ti2F12 by Materials Project". United States. doi:https://doi.org/10.17188/1190688. https://www.osti.gov/servlets/purl/1190688. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1190688,
title = {Materials Data on Na3Li3Ti2F12 by Materials Project},
abstractNote = {Na3Li3Ti2F12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.42 Å) and four longer (2.58 Å) Na–F bond lengths. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Li–F bond lengths are 1.89 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent LiF4 tetrahedra. All Ti–F bond lengths are 2.00 Å. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Li1+, and one Ti3+ atom.},
doi = {10.17188/1190688},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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