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DOE OSTI · 1188507

Materials Data on Sb2Te3 by Materials Project

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Abstract

Sb2Te3 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sb2Te3 sheets oriented in the (0, 0, 1) direction. Sb3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.03 Å) and three longer (3.19 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Sb3+ atoms to form edge-sharing TeSb6 octahedra. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms.

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36 MATERIALS SCIENCEcrystal structureSb-TeSb2Te3

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2020-07-14. Materials Data on Sb2Te3 by Materials Project. https://doi.org/10.17188/1188507

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