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.
36 MATERIALS SCIENCE↗