U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsNa2Si17 by Materials Project
Abstract
CsNa2Si17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twenty-eight Si atoms. There are a spread of Cs–Si bond distances ranging from 3.97–4.06 Å. Na is bonded in a 8-coordinate geometry to twenty Si atoms. There are a spread of Na–Si bond distances ranging from 3.21–3.39 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to one Cs, three equivalent Na, and four Si atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to two equivalent Cs, two equivalent Na, and four Si atoms. All Si–Si bond lengths are 2.40 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-4877
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CsNa2Si17; Cs-Na-Si
- OSTI Identifier:
- 1208459
- DOI:
- https://doi.org/10.17188/1208459
Citation Formats
The Materials Project. Materials Data on CsNa2Si17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208459.
The Materials Project. Materials Data on CsNa2Si17 by Materials Project. United States. doi:https://doi.org/10.17188/1208459
The Materials Project. 2020.
"Materials Data on CsNa2Si17 by Materials Project". United States. doi:https://doi.org/10.17188/1208459. https://www.osti.gov/servlets/purl/1208459. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1208459,
title = {Materials Data on CsNa2Si17 by Materials Project},
author = {The Materials Project},
abstractNote = {CsNa2Si17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twenty-eight Si atoms. There are a spread of Cs–Si bond distances ranging from 3.97–4.06 Å. Na is bonded in a 8-coordinate geometry to twenty Si atoms. There are a spread of Na–Si bond distances ranging from 3.21–3.39 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to one Cs, three equivalent Na, and four Si atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to two equivalent Cs, two equivalent Na, and four Si atoms. All Si–Si bond lengths are 2.40 Å.},
doi = {10.17188/1208459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}