U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2LiNiF6 by Materials Project
Abstract
Na2LiNiF6 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 NiF6 octahedra. All Na–F bond lengths are 2.74 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 1.99 Å. Ni3+ is bonded to six equivalent F1- atoms to form NiF6 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 Ni–F bond lengths are 1.88 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Li1+, and one Ni3+ atom.
- Publication Date:
- Other Number(s):
- mp-1114109
- 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-Ni; Na2LiNiF6; crystal structure
- OSTI Identifier:
- 1681555
- DOI:
- https://doi.org/10.17188/1681555
Citation Formats
Materials Data on Na2LiNiF6 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1681555.
Materials Data on Na2LiNiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1681555
2018.
"Materials Data on Na2LiNiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1681555. https://www.osti.gov/servlets/purl/1681555. Pub date:Wed Aug 15 00:00:00 EDT 2018
@article{osti_1681555,
title = {Materials Data on Na2LiNiF6 by Materials Project},
abstractNote = {Na2LiNiF6 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 NiF6 octahedra. All Na–F bond lengths are 2.74 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 1.99 Å. Ni3+ is bonded to six equivalent F1- atoms to form NiF6 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 Ni–F bond lengths are 1.88 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Li1+, and one Ni3+ atom.},
doi = {10.17188/1681555},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {8}
}