Materials Data on CsNa2Si17 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1208459
- Report Number(s):
- mp-4877
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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