Materials Data on TiI4 by Materials Project
TiI4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two TiI4 ribbons oriented in the (0, 0, 1) direction. Ti4+ is bonded to six I1- atoms to form edge-sharing TiI6 octahedra. There are a spread of Ti–I bond distances ranging from 2.60–2.97 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ti4+ atom. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Ti4+ atoms.
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