Materials Data on Na3AlF6 by Materials Project
Abstract
Na3AlF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Na–F bond lengths are 2.28 Å. In the second Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three equivalent F1- atoms. All Na–F bond lengths are 2.28 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Al–F bond lengths are 1.83 Å. F1- is bonded in a 3-coordinate geometry to two Na1+ and one Al3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-676512
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Na3AlF6; Al-F-Na
- OSTI Identifier:
- 1283077
- DOI:
- https://doi.org/10.17188/1283077
Citation Formats
The Materials Project. Materials Data on Na3AlF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283077.
The Materials Project. Materials Data on Na3AlF6 by Materials Project. United States. doi:https://doi.org/10.17188/1283077
The Materials Project. 2020.
"Materials Data on Na3AlF6 by Materials Project". United States. doi:https://doi.org/10.17188/1283077. https://www.osti.gov/servlets/purl/1283077. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1283077,
title = {Materials Data on Na3AlF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3AlF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Na–F bond lengths are 2.28 Å. In the second Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three equivalent F1- atoms. All Na–F bond lengths are 2.28 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Al–F bond lengths are 1.83 Å. F1- is bonded in a 3-coordinate geometry to two Na1+ and one Al3+ atom.},
doi = {10.17188/1283077},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}