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DOE OSTI · 1187360

Materials Data on RbTbSe2 by Materials Project

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Abstract

RbTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent TbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Rb–Se bond lengths are 3.46 Å. Tb3+ is bonded to six equivalent Se2- atoms to form TbSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tb–Se bond lengths are 2.92 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SeRb3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureRb-Se-TbRbTbSe2

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2020-07-16. Materials Data on RbTbSe2 by Materials Project. https://doi.org/10.17188/1187360

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