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DOE OSTI · 1653933

Materials Data on Bi2Se by Materials Project

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Abstract

Bi2Se crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Bi2Se ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in an L-shaped geometry to two equivalent Se2- atoms. There are one shorter (3.15 Å) and one longer (3.16 Å) Bi–Se bond lengths. In the second Bi1+ site, Bi1+ is bonded in a distorted T-shaped geometry to three equivalent Se2- atoms. There are a spread of Bi–Se bond distances ranging from 2.76–3.17 Å. Se2- is bonded to five Bi1+ atoms to form edge-sharing SeBi5 square pyramids.

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36 MATERIALS SCIENCEBi-SeBi2Secrystal structure

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2020-05-03. Materials Data on Bi2Se by Materials Project. https://doi.org/10.17188/1653933

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