U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Si by Materials Project
Abstract
K3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing KK4Si4 tetrahedra. All K–K bond lengths are 3.70 Å. All K–Si bond lengths are 3.70 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Si is bonded in a body-centered cubic geometry to eight equivalent K atoms.
- Publication Date:
- Other Number(s):
- mp-973528
- 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; K-Si; K3Si; crystal structure
- OSTI Identifier:
- 1314129
- DOI:
- https://doi.org/10.17188/1314129
Citation Formats
Materials Data on K3Si by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1314129.
Materials Data on K3Si by Materials Project. United States. doi:https://doi.org/10.17188/1314129
2017.
"Materials Data on K3Si by Materials Project". United States. doi:https://doi.org/10.17188/1314129. https://www.osti.gov/servlets/purl/1314129. Pub date:Mon Jul 24 04:00:00 UTC 2017
@article{osti_1314129,
title = {Materials Data on K3Si by Materials Project},
abstractNote = {K3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing KK4Si4 tetrahedra. All K–K bond lengths are 3.70 Å. All K–Si bond lengths are 3.70 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Si is bonded in a body-centered cubic geometry to eight equivalent K atoms.},
doi = {10.17188/1314129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}
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