U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlF3 by Materials Project
Abstract
AlF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 14–32°. All Al–F bond lengths are 1.82 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 15–32°. All Al–F bond lengths are 1.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Al3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-559871
- 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; AlF3; crystal structure
- OSTI Identifier:
- 1271105
- DOI:
- https://doi.org/10.17188/1271105
Citation Formats
Materials Data on AlF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271105.
Materials Data on AlF3 by Materials Project. United States. doi:https://doi.org/10.17188/1271105
2020.
"Materials Data on AlF3 by Materials Project". United States. doi:https://doi.org/10.17188/1271105. https://www.osti.gov/servlets/purl/1271105. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1271105,
title = {Materials Data on AlF3 by Materials Project},
abstractNote = {AlF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 14–32°. All Al–F bond lengths are 1.82 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 15–32°. All Al–F bond lengths are 1.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Al3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms.},
doi = {10.17188/1271105},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}