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DOE OSTI · 1203828

Materials Data on Ta(TeCl3)2 by Materials Project

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Abstract

TaTeCl6Te crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two tellurium molecules and two TaTeCl6 ribbons oriented in the (-1, 1, 0) direction. In each TaTeCl6 ribbon, Ta4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Ta–Cl bond distances ranging from 2.32–2.43 Å. Te1+ is bonded in a bent 120 degrees geometry to two Cl1- atoms. There are one shorter (3.24 Å) and one longer (3.27 Å) Te–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ta4+ and one Te1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta4+ and one Te1+ atom.

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36 MATERIALS SCIENCECl-Ta-Tecrystal structureTa(TeCl3)2

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2020-07-23. Materials Data on Ta(TeCl3)2 by Materials Project. https://doi.org/10.17188/1203828

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36 MATERIALS SCIENCE↗