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DOE OSTI · 1276317

Materials Data on Sb2TeSe2 by Materials Project

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Abstract

Sb2Se2Te is Calaverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sb2Se2Te sheets oriented in the (0, 0, 1) direction. Sb3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing SbTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Te bond lengths are 3.17 Å. All Sb–Se bond lengths are 2.84 Å. Te2- is bonded to six equivalent Sb3+ atoms to form edge-sharing TeSb6 octahedra. Se2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms.

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36 MATERIALS SCIENCEcrystal structureSb-Se-TeSb2TeSe2

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2020-07-14. Materials Data on Sb2TeSe2 by Materials Project. https://doi.org/10.17188/1276317

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