U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2AlGaH6 by Materials Project
Abstract
Cs2AlH6Ga crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four gallium molecules and one Cs2AlH6 framework. In the Cs2AlH6 framework, Cs is bonded to twelve equivalent H atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent AlH6 octahedra. All Cs–H bond lengths are 3.09 Å. Al is bonded to six equivalent H atoms to form AlH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Al–H bond lengths are 1.80 Å. H is bonded in a single-bond geometry to four equivalent Cs and one Al atom.
- Publication Date:
- Other Number(s):
- mp-989648
- 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-Ga-H; Cs2AlGaH6; crystal structure
- OSTI Identifier:
- 1316941
- DOI:
- https://doi.org/10.17188/1316941
Citation Formats
Materials Data on Cs2AlGaH6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316941.
Materials Data on Cs2AlGaH6 by Materials Project. United States. doi:https://doi.org/10.17188/1316941
2020.
"Materials Data on Cs2AlGaH6 by Materials Project". United States. doi:https://doi.org/10.17188/1316941. https://www.osti.gov/servlets/purl/1316941. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1316941,
title = {Materials Data on Cs2AlGaH6 by Materials Project},
abstractNote = {Cs2AlH6Ga crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four gallium molecules and one Cs2AlH6 framework. In the Cs2AlH6 framework, Cs is bonded to twelve equivalent H atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent AlH6 octahedra. All Cs–H bond lengths are 3.09 Å. Al is bonded to six equivalent H atoms to form AlH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Al–H bond lengths are 1.80 Å. H is bonded in a single-bond geometry to four equivalent Cs and one Al atom.},
doi = {10.17188/1316941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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