U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2AlInF6 by Materials Project
Abstract
Cs2InAlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent InF6 octahedra, and faces with four equivalent AlF6 octahedra. All Cs–F bond lengths are 3.27 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.73 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.85 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one In1+, and one Al3+ atom.
- Publication Date:
- Other Number(s):
- mp-1112586
- 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-Cs-F-In; Cs2AlInF6; crystal structure
- OSTI Identifier:
- 1721974
- DOI:
- https://doi.org/10.17188/1721974
Citation Formats
Materials Data on Cs2AlInF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721974.
Materials Data on Cs2AlInF6 by Materials Project. United States. doi:https://doi.org/10.17188/1721974
2020.
"Materials Data on Cs2AlInF6 by Materials Project". United States. doi:https://doi.org/10.17188/1721974. https://www.osti.gov/servlets/purl/1721974. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1721974,
title = {Materials Data on Cs2AlInF6 by Materials Project},
abstractNote = {Cs2InAlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent InF6 octahedra, and faces with four equivalent AlF6 octahedra. All Cs–F bond lengths are 3.27 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.73 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.85 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one In1+, and one Al3+ atom.},
doi = {10.17188/1721974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}