U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2LiNF6 by Materials Project
Abstract
Na2LiNF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent NF6 octahedra. All Na–F bond lengths are 2.68 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent NF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 1.98 Å. N3+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.81 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Li1+, and one N3+ atom.
- Publication Date:
- Other Number(s):
- mp-989504
- 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; crystal structure; F-Li-N-Na; Na2LiNF6
- OSTI Identifier:
- 1316809
- DOI:
- https://doi.org/10.17188/1316809
Citation Formats
Materials Data on Na2LiNF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316809.
Materials Data on Na2LiNF6 by Materials Project. United States. doi:https://doi.org/10.17188/1316809
2020.
"Materials Data on Na2LiNF6 by Materials Project". United States. doi:https://doi.org/10.17188/1316809. https://www.osti.gov/servlets/purl/1316809. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1316809,
title = {Materials Data on Na2LiNF6 by Materials Project},
abstractNote = {Na2LiNF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent NF6 octahedra. All Na–F bond lengths are 2.68 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent NF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 1.98 Å. N3+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.81 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Li1+, and one N3+ atom.},
doi = {10.17188/1316809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}