Materials Data on NaSi by Materials Project
NaSi crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to six Si atoms. There are a spread of Na–Si bond distances ranging from 3.01–3.40 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to five Si atoms. There are a spread of Na–Si bond distances ranging from 2.88–3.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Na and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.48 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to five Na and three Si atoms. The Si–Si bond length is 2.42 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:
- 1199867
- Report Number(s):
- mp-2402
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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