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DOE OSTI · 1195956

Materials Data on YbCeSe3 by Materials Project

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Abstract

CeYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two shorter (2.83 Å) and four longer (2.97 Å) Yb–Se bond lengths. Ce3+ is bonded in a 6-coordinate geometry to eight Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.85–3.40 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Ce3+ atoms to form corner-sharing SeYb2Ce2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Ce3+ atoms.

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36 MATERIALS SCIENCECe-Se-Ybcrystal structureYbCeSe3

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2020-07-16. Materials Data on YbCeSe3 by Materials Project. https://doi.org/10.17188/1195956

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