Materials Data on TiAuBr by Materials Project
TiAuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Au1- and four equivalent Br1- atoms to form a mixture of distorted face and corner-sharing TiAu6Br4 tetrahedra. All Ti–Au bond lengths are 3.20 Å. All Ti–Br bond lengths are 2.77 Å. Au1- is bonded in a 10-coordinate geometry to six equivalent Ti2+ and four equivalent Br1- atoms. All Au–Br bond lengths are 2.77 Å. Br1- is bonded in a body-centered cubic geometry to four equivalent Ti2+ and four equivalent Au1- atoms.
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