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DOE OSTI · 1740078

Materials Data on Sb2Te3 by Materials Project

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Abstract

Sb2Te3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Sb2Te3 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five Te2- atoms to form a mixture of corner and edge-sharing SbTe5 square pyramids. There are a spread of Sb–Te bond distances ranging from 2.89–3.44 Å. In the second Sb3+ site, Sb3+ is bonded to five Te2- atoms to form a mixture of corner and edge-sharing SbTe5 square pyramids. There are a spread of Sb–Te bond distances ranging from 2.88–3.16 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three Sb3+ atoms. In the second Te2- site, Te2- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded to five Sb3+ atoms to form distorted edge-sharing TeSb5 square pyramids.

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36 MATERIALS SCIENCEcrystal structureSb-TeSb2Te3

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2020-05-03. Materials Data on Sb2Te3 by Materials Project. https://doi.org/10.17188/1740078

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