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DOE OSTI · 1205632

Materials Data on Bi2TeSe2 by Materials Project

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Abstract

Bi2Se2Te is Calaverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Se2Te sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing BiTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Te bond lengths are 3.26 Å. All Bi–Se bond lengths are 2.90 Å. Te2- is bonded to six equivalent Bi3+ atoms to form edge-sharing TeBi6 octahedra. Se2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-Se-TeBi2TeSe2crystal structure

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2020-07-16. Materials Data on Bi2TeSe2 by Materials Project. https://doi.org/10.17188/1205632

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