U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaAlSi by Materials Project
Abstract
CaAlSi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing CaAl6Si6 cuboctahedra. All Ca–Al bond lengths are 3.27 Å. All Ca–Si bond lengths are 3.27 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.43 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Al atoms.
- Publication Date:
- Other Number(s):
- mp-3173
- 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-Ca-Si; CaAlSi; crystal structure
- OSTI Identifier:
- 1205871
- DOI:
- https://doi.org/10.17188/1205871
Citation Formats
Materials Data on CaAlSi by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1205871.
Materials Data on CaAlSi by Materials Project. United States. doi:https://doi.org/10.17188/1205871
2017.
"Materials Data on CaAlSi by Materials Project". United States. doi:https://doi.org/10.17188/1205871. https://www.osti.gov/servlets/purl/1205871. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1205871,
title = {Materials Data on CaAlSi by Materials Project},
abstractNote = {CaAlSi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing CaAl6Si6 cuboctahedra. All Ca–Al bond lengths are 3.27 Å. All Ca–Si bond lengths are 3.27 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.43 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Al atoms.},
doi = {10.17188/1205871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}
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