U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2NaAlF6 by Materials Project
Abstract
K2NaAlF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent AlF6 octahedra. All K–F bond lengths are 2.93 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.29 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Al3+ atom.
- Publication Date:
- Other Number(s):
- mp-6586
- 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-F-K-Na; K2NaAlF6; crystal structure
- OSTI Identifier:
- 1281376
- DOI:
- https://doi.org/10.17188/1281376
Citation Formats
Materials Data on K2NaAlF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281376.
Materials Data on K2NaAlF6 by Materials Project. United States. doi:https://doi.org/10.17188/1281376
2020.
"Materials Data on K2NaAlF6 by Materials Project". United States. doi:https://doi.org/10.17188/1281376. https://www.osti.gov/servlets/purl/1281376. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1281376,
title = {Materials Data on K2NaAlF6 by Materials Project},
abstractNote = {K2NaAlF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent AlF6 octahedra. All K–F bond lengths are 2.93 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.29 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Al3+ atom.},
doi = {10.17188/1281376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}