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DOE OSTI · 1719663

Materials Data on Ga2Te3 by Materials Project

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Abstract

Ga2Te3 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ga2Te3 sheets oriented in the (0, 0, 1) direction. Ga3+ is bonded in a distorted T-shaped geometry to three equivalent Te2- atoms. All Ga–Te bond lengths are 2.97 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Te2- atoms to form edge-sharing TeTe6 octahedra. All Te–Te bond lengths are 3.21 Å. In the second Te2- site, Te2- is bonded to three equivalent Ga3+ and three equivalent Te2- atoms to form a mixture of distorted corner and edge-sharing TeGa3Te3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureGa-TeGa2Te3

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2020-05-02. Materials Data on Ga2Te3 by Materials Project. https://doi.org/10.17188/1719663

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