Materials Data on BaTaB by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279258· OSTI ID:1279258

The Materials Project

BaTaB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to six equivalent Ta and four equivalent B atoms to form a mixture of distorted face and corner-sharing BaTa6B4 tetrahedra. All Ba–Ta bond lengths are 3.19 Å. All Ba–B bond lengths are 2.76 Å. Ta is bonded in a 4-coordinate geometry to six equivalent Ba and four equivalent B atoms. All Ta–B bond lengths are 2.76 Å. B is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ta 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: 1279258
• Report Number(s): mp-631570
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaTaB
B-Ba-Ta