U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KNaSe by Materials Project
Abstract
KNaSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a distorted q6 geometry to four equivalent Na1+ and six equivalent Se2- atoms. All K–Na bond lengths are 3.05 Å. All K–Se bond lengths are 3.52 Å. Na1+ is bonded in a body-centered cubic geometry to four equivalent K1+ and four equivalent Se2- atoms. All Na–Se bond lengths are 3.05 Å. Se2- is bonded in a 4-coordinate geometry to six equivalent K1+ and four equivalent Na1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1100443
- 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-Na-Se; KNaSe; crystal structure
- OSTI Identifier:
- 1664273
- DOI:
- https://doi.org/10.17188/1664273
Citation Formats
Materials Data on KNaSe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664273.
Materials Data on KNaSe by Materials Project. United States. doi:https://doi.org/10.17188/1664273
2020.
"Materials Data on KNaSe by Materials Project". United States. doi:https://doi.org/10.17188/1664273. https://www.osti.gov/servlets/purl/1664273. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1664273,
title = {Materials Data on KNaSe by Materials Project},
abstractNote = {KNaSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a distorted q6 geometry to four equivalent Na1+ and six equivalent Se2- atoms. All K–Na bond lengths are 3.05 Å. All K–Se bond lengths are 3.52 Å. Na1+ is bonded in a body-centered cubic geometry to four equivalent K1+ and four equivalent Se2- atoms. All Na–Se bond lengths are 3.05 Å. Se2- is bonded in a 4-coordinate geometry to six equivalent K1+ and four equivalent Na1+ atoms.},
doi = {10.17188/1664273},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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