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Materials Data on TiCl3 by Materials Project

TiCl3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three TiCl3 sheets oriented in the (0, 0, 1) direction. Ti3+ is bonded to six equivalent Cl1- atoms to form edge-sharing TiCl6 octahedra. All Ti–Cl bond lengths are 2.43 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiCl2 by Materials Project

TiCl2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TiCl2 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded to six equivalent Cl1- atoms to form edge-sharing TiCl6 octahedra. All Ti–Cl bond lengths are 2.53 Å. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Ti2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiCl4 by Materials Project

TiCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four titanium tetrachloride molecules. Ti4+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.18 Å) and one longer (2.19 Å) Ti–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on TiCl3 by Materials Project

TiCl3 is Chromium trichloride-like structured and crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two TiCl3 sheets oriented in the (0, 0, 1) direction. Ti3+ is bonded to six equivalent Cl1- atoms to form edge-sharing TiCl6 octahedra. All Ti–Cl bond lengths are 2.43 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiCl3 by Materials Project

TiCl3 is Chromium trichloride-like structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one TiCl3 sheet oriented in the (0, 0, 1) direction. Ti3+ is bonded to six equivalent Cl1- atoms to form edge-sharing TiCl6 octahedra. All Ti–Cl bond lengths are 2.43 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiCl3 by Materials Project

TiCl3 is Chromium trichloride structured and crystallizes in the trigonal P3_112 space group. The structure is two-dimensional and consists of three TiCl3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded to six Cl1- atoms to form edge-sharing TiCl6 octahedra. There are two shorter (2.41 Å) and four longer (2.43 Å) Ti–Cl bond lengths. In the second Ti3+ site, Ti3+ is bonded to six Cl1- atoms to form edge-sharing TiCl6 octahedra. There are two shorter (2.41 Å) and four longer (2.43 Å) Ti–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Ti3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Ti3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Ti3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiCl3 by Materials Project

TiCl3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one TiCl3 ribbon oriented in the (0, 0, 1) direction. Ti3+ is bonded to six equivalent Cl1- atoms to form face-sharing TiCl6 octahedra. All Ti–Cl bond lengths are 2.41 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiCl3 by Materials Project

TiCl3 is Chromium trichloride-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of three TiCl3 sheets oriented in the (0, 0, 1) direction. Ti3+ is bonded to six Cl1- atoms to form edge-sharing TiCl6 octahedra. There are a spread of Ti–Cl bond distances ranging from 2.40–2.47 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiCl3 by Materials Project

TiCl3 is Chromium trichloride-like structured and crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two TiCl3 sheets oriented in the (0, 0, 1) direction. Ti3+ is bonded to six Cl1- atoms to form edge-sharing TiCl6 octahedra. There are a spread of Ti–Cl bond distances ranging from 2.40–2.47 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗