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Results for “Bi-Se-Te”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Bi2Te2Se by Materials Project

Bi2Te2Se is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Te2Se 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 corner and edge-sharing BiTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Te bond lengths are 3.07 Å. All Bi–Se bond lengths are 3.12 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. Se2- is bonded to six equivalent Bi3+ atoms to form edge-sharing SeBi6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2TeSe2 by Materials Project

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.

36 MATERIALS SCIENCE↗