Materials Data on TiTl2BF6 by Materials Project
TiF6(Tl)2B is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four boron molecules, eight thallium molecules, and four TiF6 clusters. In each TiF6 cluster, Ti3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Ti–F bond lengths are 1.98 Å. F1- is bonded in a single-bond geometry to one Ti3+ atom.
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