Materials Data on BaTaB by 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.
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