Materials Data on TiAuCl by Materials Project
TiAuCl 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 Cl1- atoms to form a mixture of distorted corner and face-sharing TiAu6Cl4 tetrahedra. All Ti–Au bond lengths are 3.09 Å. All Ti–Cl bond lengths are 2.68 Å. Au1- is bonded in a 10-coordinate geometry to six equivalent Ti2+ and four equivalent Cl1- atoms. All Au–Cl bond lengths are 2.68 Å. Cl1- is bonded in a body-centered cubic geometry to four equivalent Ti2+ and four equivalent Au1- atoms.
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