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DOE OSTI · 1728003

Materials Data on Bi2Te3 by Materials Project

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Abstract

Bi2Te3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Bi2Te3 sheet oriented in the (0, 0, 1) direction. Bi3+ is bonded in a rectangular see-saw-like geometry to two equivalent Bi3+ and two Te2- atoms. Both Bi–Bi bond lengths are 2.88 Å. There are one shorter (3.10 Å) and one longer (3.28 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Bi3+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.19 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to one Bi3+ and three Te2- atoms. The Te–Te bond length is 2.81 Å.

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36 MATERIALS SCIENCEBi-TeBi2Te3crystal structure

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2019-01-11. Materials Data on Bi2Te3 by Materials Project. https://doi.org/10.17188/1728003

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