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DOE OSTI · 1689216

Materials Data on AlTeH6C2Br3 by Materials Project

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Abstract

AlC2H6TeBr3 crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of four AlC2H6TeBr3 clusters. Al3+ is bonded in a tetrahedral geometry to one Te2- and three Br1- atoms. The Al–Te bond length is 2.75 Å. There are two shorter (2.31 Å) and one longer (2.32 Å) Al–Br bond lengths. C2- is bonded in a distorted trigonal non-coplanar geometry to three H1+ and one Te2- atom. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–Te bond length is 2.15 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 in a 3-coordinate geometry to one Al3+ and two equivalent C2- atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom.

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36 MATERIALS SCIENCEAl-Br-C-H-TeAlTeH6C2Br3crystal structure

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2020-05-02. Materials Data on AlTeH6C2Br3 by Materials Project. https://doi.org/10.17188/1689216

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