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DOE OSTI · 1729948

Materials Data on CeSe2 by Materials Project

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Abstract

CeSe2 is Keatite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.72 Å) and one longer (2.73 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 trigonal pyramids. There are one shorter (2.71 Å) and three longer (2.73 Å) Ce–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the second Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms.

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36 MATERIALS SCIENCECe-SeCeSe2crystal structure

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2018-04-20. Materials Data on CeSe2 by Materials Project. https://doi.org/10.17188/1729948

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