U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KBaSb by Materials Project
Abstract
KBaSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb3- atoms. All K–Ba bond lengths are 3.44 Å. All K–Sb bond lengths are 3.44 Å. Ba2+ is bonded in a distorted q6 geometry to four equivalent K1+ and six equivalent Sb3- atoms. All Ba–Sb bond lengths are 3.97 Å. Sb3- is bonded to four equivalent K1+ and six equivalent Ba2+ atoms to form a mixture of distorted face and corner-sharing SbK4Ba6 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1100403
- 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; Ba-K-Sb; KBaSb; crystal structure
- OSTI Identifier:
- 1685136
- DOI:
- https://doi.org/10.17188/1685136
Citation Formats
Materials Data on KBaSb by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1685136.
Materials Data on KBaSb by Materials Project. United States. doi:https://doi.org/10.17188/1685136
2018.
"Materials Data on KBaSb by Materials Project". United States. doi:https://doi.org/10.17188/1685136. https://www.osti.gov/servlets/purl/1685136. Pub date:Sat Jul 07 04:00:00 UTC 2018
@article{osti_1685136,
title = {Materials Data on KBaSb by Materials Project},
abstractNote = {KBaSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb3- atoms. All K–Ba bond lengths are 3.44 Å. All K–Sb bond lengths are 3.44 Å. Ba2+ is bonded in a distorted q6 geometry to four equivalent K1+ and six equivalent Sb3- atoms. All Ba–Sb bond lengths are 3.97 Å. Sb3- is bonded to four equivalent K1+ and six equivalent Ba2+ atoms to form a mixture of distorted face and corner-sharing SbK4Ba6 tetrahedra.},
doi = {10.17188/1685136},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}
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