U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2AlCuF6 by Materials Project
Abstract
Li2CuAlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent CuF6 octahedra, and faces with four equivalent AlF6 octahedra. All Li–F bond lengths are 2.82 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.16 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.81 Å. F1- is bonded in a distorted linear geometry to four equivalent Li1+, one Cu1+, and one Al3+ atom.
- Publication Date:
- Other Number(s):
- mp-1111683
- 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; Al-Cu-F-Li; Li2AlCuF6; crystal structure
- OSTI Identifier:
- 1710944
- DOI:
- https://doi.org/10.17188/1710944
Citation Formats
Materials Data on Li2AlCuF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1710944.
Materials Data on Li2AlCuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1710944
2020.
"Materials Data on Li2AlCuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1710944. https://www.osti.gov/servlets/purl/1710944. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1710944,
title = {Materials Data on Li2AlCuF6 by Materials Project},
abstractNote = {Li2CuAlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent CuF6 octahedra, and faces with four equivalent AlF6 octahedra. All Li–F bond lengths are 2.82 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.16 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.81 Å. F1- is bonded in a distorted linear geometry to four equivalent Li1+, one Cu1+, and one Al3+ atom.},
doi = {10.17188/1710944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}