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DOE OSTI · 1201559

Materials Data on ReCl4 by Materials Project

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Abstract

ReCl4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two ReCl4 ribbons oriented in the (1, 0, 0) direction. Re4+ is bonded to six Cl1- atoms to form a mixture of face and corner-sharing ReCl6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Re–Cl bond distances ranging from 2.28–2.46 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Re4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Re4+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Re4+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom.

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36 MATERIALS SCIENCECl-Recrystal structureReCl4

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2020-07-24. Materials Data on ReCl4 by Materials Project. https://doi.org/10.17188/1201559

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