U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KAlSi2 by Materials Project
Abstract
KAlSi2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to three equivalent Al and six Si atoms. There are a spread of K–Al bond distances ranging from 3.27–3.33 Å. There are a spread of K–Si bond distances ranging from 3.28–3.33 Å. Al is bonded in a 7-coordinate geometry to three equivalent K and four Si atoms. There are one shorter (2.60 Å) and three longer (2.61 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Al, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si site, Si is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Al, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å.
- Publication Date:
- Other Number(s):
- mp-1180795
- 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-K-Si; KAlSi2; crystal structure
- OSTI Identifier:
- 1738034
- DOI:
- https://doi.org/10.17188/1738034
Citation Formats
Materials Data on KAlSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738034.
Materials Data on KAlSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1738034
2020.
"Materials Data on KAlSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1738034. https://www.osti.gov/servlets/purl/1738034. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1738034,
title = {Materials Data on KAlSi2 by Materials Project},
abstractNote = {KAlSi2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to three equivalent Al and six Si atoms. There are a spread of K–Al bond distances ranging from 3.27–3.33 Å. There are a spread of K–Si bond distances ranging from 3.28–3.33 Å. Al is bonded in a 7-coordinate geometry to three equivalent K and four Si atoms. There are one shorter (2.60 Å) and three longer (2.61 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Al, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si site, Si is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Al, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å.},
doi = {10.17188/1738034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}