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DOE OSTI · 1687639

Materials Data on U2TeSe by Materials Project

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Abstract

U2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to three equivalent Te and three equivalent Se atoms to form a mixture of edge and corner-sharing UTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Te bond lengths are 3.09 Å. All U–Se bond lengths are 2.87 Å. Te is bonded to six equivalent U atoms to form TeU6 octahedra that share corners with six equivalent SeU6 octahedra, edges with six equivalent TeU6 octahedra, and edges with six equivalent SeU6 octahedra. The corner-sharing octahedral tilt angles are 6°. Se is bonded to six equivalent U atoms to form SeU6 octahedra that share corners with six equivalent TeU6 octahedra, edges with six equivalent TeU6 octahedra, and edges with six equivalent SeU6 octahedra. The corner-sharing octahedral tilt angles are 6°.

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36 MATERIALS SCIENCEcrystal structureSe-Te-UU2TeSe

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2020-05-02. Materials Data on U2TeSe by Materials Project. https://doi.org/10.17188/1687639

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