U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KNa2 by Materials Project
Abstract
KNa2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to four equivalent K and twelve Na atoms. There are three shorter (4.56 Å) and one longer (4.58 Å) K–K bond lengths. There are nine shorter (4.37 Å) and three longer (4.38 Å) K–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded to six equivalent K and six equivalent Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. All Na–Na bond lengths are 3.74 Å. In the second Na site, Na is bonded to six equivalent K and six Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. There are two shorter (3.71 Å) and two longer (3.73 Å) Na–Na bond lengths.
- Publication Date:
- Other Number(s):
- mp-570786
- 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; KNa2; crystal structure
- OSTI Identifier:
- 1275907
- DOI:
- https://doi.org/10.17188/1275907
Citation Formats
Materials Data on KNa2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275907.
Materials Data on KNa2 by Materials Project. United States. doi:https://doi.org/10.17188/1275907
2020.
"Materials Data on KNa2 by Materials Project". United States. doi:https://doi.org/10.17188/1275907. https://www.osti.gov/servlets/purl/1275907. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1275907,
title = {Materials Data on KNa2 by Materials Project},
abstractNote = {KNa2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to four equivalent K and twelve Na atoms. There are three shorter (4.56 Å) and one longer (4.58 Å) K–K bond lengths. There are nine shorter (4.37 Å) and three longer (4.38 Å) K–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded to six equivalent K and six equivalent Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. All Na–Na bond lengths are 3.74 Å. In the second Na site, Na is bonded to six equivalent K and six Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. There are two shorter (3.71 Å) and two longer (3.73 Å) Na–Na bond lengths.},
doi = {10.17188/1275907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}