Materials Data on BaNaSb by Materials Project
NaBaSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb3- atoms. All Na–Ba bond lengths are 3.27 Å. All Na–Sb bond lengths are 3.27 Å. Ba2+ is bonded in a distorted q6 geometry to four equivalent Na1+ and six equivalent Sb3- atoms. All Ba–Sb bond lengths are 3.78 Å. Sb3- is bonded in a 4-coordinate geometry to four equivalent Na1+ and six equivalent Ba2+ atoms.
- 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:
- 1313455
- Report Number(s):
- mp-961774
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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