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DOE OSTI · 1742021

Materials Data on Bi3Sb by Materials Project

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Abstract

BiBi2Sb is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three bismuth molecules and three Bi2Sb sheets oriented in the (0, 0, 1) direction. In each Bi2Sb sheet, there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a distorted T-shaped geometry to three equivalent Sb3- atoms. All Bi–Sb bond lengths are 3.04 Å. In the second Bi1+ site, Bi1+ is bonded in a 3-coordinate geometry to three equivalent Sb3- atoms. All Bi–Sb bond lengths are 3.52 Å. Sb3- is bonded to six Bi1+ atoms to form distorted edge-sharing SbBi6 octahedra.

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36 MATERIALS SCIENCEBi-SbBi3Sbcrystal structure

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2020-05-03. Materials Data on Bi3Sb by Materials Project. https://doi.org/10.17188/1742021

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