Materials Data on BaNaSn by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1313468· OSTI ID:1313468

The Materials Project

NaBaSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Sn atoms. All Na–Ba bond lengths are 3.33 Å. All Na–Sn bond lengths are 3.33 Å. Ba is bonded in a distorted q6 geometry to four equivalent Na and six equivalent Sn atoms. All Ba–Sn bond lengths are 3.85 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Na and six equivalent Ba 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: 1313468
• Report Number(s): mp-962067
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaNaSn
Ba-Na-Sn