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DOE OSTI · 1316944

Materials Data on Te3As2 by Materials Project

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Abstract

As2Te3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As2Te3 sheets oriented in the (0, 0, 1) direction. As3- is bonded to six Te2+ atoms to form a mixture of edge and corner-sharing AsTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.86 Å) and three longer (3.00 Å) As–Te bond lengths. There are two inequivalent Te2+ sites. In the first Te2+ site, Te2+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. In the second Te2+ site, Te2+ is bonded to six equivalent As3- atoms to form edge-sharing TeAs6 octahedra.

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36 MATERIALS SCIENCEAs-Tecrystal structureTe3As2

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2020-07-16. Materials Data on Te3As2 by Materials Project. https://doi.org/10.17188/1316944

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