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Title: Materials Data on BaNaSb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313455· OSTI ID:1313455

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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