Materials Data on TaAuBr by Materials Project
TaAuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded to six equivalent Au and four equivalent Br atoms to form a mixture of distorted corner and face-sharing TaAu6Br4 tetrahedra. All Ta–Au bond lengths are 3.16 Å. All Ta–Br bond lengths are 2.74 Å. Au is bonded in a 10-coordinate geometry to six equivalent Ta and four equivalent Br atoms. All Au–Br bond lengths are 2.74 Å. Br is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Au atoms.
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