U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgAlO2F5 by Materials Project
Abstract
MgAlO2F5 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg is bonded to two equivalent O and four equivalent F atoms to form MgO2F4 octahedra that share corners with four equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 38°. Both Mg–O bond lengths are 2.19 Å. All Mg–F bond lengths are 1.96 Å. Al is bonded to six F atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra and corners with four equivalent MgO2F4 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There is four shorter (1.83 Å) and two longer (1.84 Å) Al–F bond length. O is bonded in a single-bond geometry to one Mg atom. There are two inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to one Mg and one Al atom. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Al atoms.
- Publication Date:
- Other Number(s):
- mp-1189240
- 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-Mg-O; MgAlO2F5; crystal structure
- OSTI Identifier:
- 1652044
- DOI:
- https://doi.org/10.17188/1652044
Citation Formats
Materials Data on MgAlO2F5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652044.
Materials Data on MgAlO2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1652044
2020.
"Materials Data on MgAlO2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1652044. https://www.osti.gov/servlets/purl/1652044. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1652044,
title = {Materials Data on MgAlO2F5 by Materials Project},
abstractNote = {MgAlO2F5 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg is bonded to two equivalent O and four equivalent F atoms to form MgO2F4 octahedra that share corners with four equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 38°. Both Mg–O bond lengths are 2.19 Å. All Mg–F bond lengths are 1.96 Å. Al is bonded to six F atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra and corners with four equivalent MgO2F4 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There is four shorter (1.83 Å) and two longer (1.84 Å) Al–F bond length. O is bonded in a single-bond geometry to one Mg atom. There are two inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to one Mg and one Al atom. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Al atoms.},
doi = {10.17188/1652044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}