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TiI3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one TiI3 ribbon oriented in the (0, 0, 1) direction. Ti3+ is bonded to six equivalent I1- atoms to form face-sharing TiI6 octahedra. All Ti–I bond lengths are 2.80 Å. I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms.
TiI3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TiI3 ribbons oriented in the (1, 0, 0) direction. Ti3+ is bonded to six I1- atoms to form face-sharing TiI6 octahedra. There are a spread of Ti–I bond distances ranging from 2.75–2.87 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Ti3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms. In the fourth I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Ti3+ atoms.
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.
TiI crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent I atoms. There are three shorter (2.76 Å) and one longer (2.80 Å) Ti–I bond lengths. I is bonded in a 4-coordinate geometry to four equivalent Ti atoms.
TiI2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TiI2 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded to six equivalent I1- atoms to form edge-sharing TiI6 octahedra. All Ti–I bond lengths are 2.84 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Ti2+ atoms.