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DOE OSTI · 1291514

Materials Data on TeH3CCl3 by Materials Project

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Abstract

CH3TeCl3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CH3TeCl3 ribbons oriented in the (0, 1, 0) direction. C2+ is bonded in a distorted trigonal non-coplanar geometry to three H1+ and one Te2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–Te bond length is 2.14 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. Te2- is bonded to one C2+ and four Cl1- atoms to form distorted corner-sharing TeCCl4 square pyramids. There are a spread of Te–Cl bond distances ranging from 2.40–2.82 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te2- atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent Te2- atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te2- atom.

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36 MATERIALS SCIENCEC-Cl-H-Tecrystal structureTeH3CCl3

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2020-07-22. Materials Data on TeH3CCl3 by Materials Project. https://doi.org/10.17188/1291514

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36 MATERIALS SCIENCE↗