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DOE OSTI · 1700253

Materials Data on TcCl3 by Materials Project

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Abstract

TcCl3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three TcCl3 sheets oriented in the (0, 0, 1) direction. Tc3+ is bonded to five Cl1- atoms to form a mixture of distorted edge and corner-sharing TcCl5 square pyramids. There are a spread of Tc–Cl bond distances ranging from 2.25–2.71 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tc3+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Tc3+ atom.

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36 MATERIALS SCIENCECl-Tccrystal structureTcCl3

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2020-05-03. Materials Data on TcCl3 by Materials Project. https://doi.org/10.17188/1700253

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