U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbNa2Si17 by Materials Project
Abstract
RbNa2Si17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twenty-eight Si atoms. There are twelve shorter (3.96 Å) and sixteen longer (4.04 Å) Rb–Si bond lengths. 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 7-coordinate geometry to one Rb, 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 Rb, two equivalent Na, and four Si atoms. There are two shorter (2.39 Å) and one longer (2.40 Å) Si–Si bond lengths.
- Publication Date:
- Other Number(s):
- mp-16836
- 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; Na-Rb-Si; RbNa2Si17; crystal structure
- OSTI Identifier:
- 1192197
- DOI:
- https://doi.org/10.17188/1192197
Citation Formats
Materials Data on RbNa2Si17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192197.
Materials Data on RbNa2Si17 by Materials Project. United States. doi:https://doi.org/10.17188/1192197
2020.
"Materials Data on RbNa2Si17 by Materials Project". United States. doi:https://doi.org/10.17188/1192197. https://www.osti.gov/servlets/purl/1192197. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1192197,
title = {Materials Data on RbNa2Si17 by Materials Project},
abstractNote = {RbNa2Si17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twenty-eight Si atoms. There are twelve shorter (3.96 Å) and sixteen longer (4.04 Å) Rb–Si bond lengths. 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 7-coordinate geometry to one Rb, 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 Rb, two equivalent Na, and four Si atoms. There are two shorter (2.39 Å) and one longer (2.40 Å) Si–Si bond lengths.},
doi = {10.17188/1192197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}