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DOE OSTI · 1699846

Materials Data on YbPrSe2 by Materials Project

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Abstract

YbPrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded to six equivalent Se atoms to form YbSe6 octahedra that share corners with six equivalent PrSe6 octahedra, edges with six equivalent YbSe6 octahedra, and edges with six equivalent PrSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Yb–Se bond lengths are 2.93 Å. Pr is bonded to six equivalent Se atoms to form PrSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with six equivalent YbSe6 octahedra, and edges with six equivalent PrSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Pr–Se bond lengths are 3.03 Å. Se is bonded to three equivalent Yb and three equivalent Pr atoms to form a mixture of corner and edge-sharing SeYb3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structurePr-Se-YbYbPrSe2

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2020-05-03. Materials Data on YbPrSe2 by Materials Project. https://doi.org/10.17188/1699846

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