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DOE OSTI · 1276251

Materials Data on TiCl3 by Materials Project

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Abstract

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.

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36 MATERIALS SCIENCECl-Ticrystal structureTiCl3

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2020-07-15. Materials Data on TiCl3 by Materials Project. https://doi.org/10.17188/1276251

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