U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KSiH3 by Materials Project
Abstract
KSiH3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to one Si4- and nine H1+ atoms. The K–Si bond length is 3.62 Å. There are a spread of K–H bond distances ranging from 2.80–2.96 Å. Si4- is bonded in a 3-coordinate geometry to one K1+ and three H1+ atoms. There is one shorter (1.54 Å) and two longer (1.56 Å) Si–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded to three equivalent K1+ and one Si4- atom to form a mixture of distorted edge and corner-sharing HK3Si tetrahedra. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to three equivalent K1+ and one Si4- atom.
- Publication Date:
- Other Number(s):
- mp-28695
- 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; H-K-Si; KSiH3; crystal structure
- OSTI Identifier:
- 1202767
- DOI:
- https://doi.org/10.17188/1202767
Citation Formats
Materials Data on KSiH3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202767.
Materials Data on KSiH3 by Materials Project. United States. doi:https://doi.org/10.17188/1202767
2020.
"Materials Data on KSiH3 by Materials Project". United States. doi:https://doi.org/10.17188/1202767. https://www.osti.gov/servlets/purl/1202767. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1202767,
title = {Materials Data on KSiH3 by Materials Project},
abstractNote = {KSiH3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to one Si4- and nine H1+ atoms. The K–Si bond length is 3.62 Å. There are a spread of K–H bond distances ranging from 2.80–2.96 Å. Si4- is bonded in a 3-coordinate geometry to one K1+ and three H1+ atoms. There is one shorter (1.54 Å) and two longer (1.56 Å) Si–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded to three equivalent K1+ and one Si4- atom to form a mixture of distorted edge and corner-sharing HK3Si tetrahedra. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to three equivalent K1+ and one Si4- atom.},
doi = {10.17188/1202767},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.