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DOE OSTI · 1711700

Materials Data on CeSe2 by Materials Project

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Abstract

CeSe2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a distorted trigonal pyramidal geometry to four Se2- atoms. All Ce–Se bond lengths are 2.71 Å. In the second Ce4+ site, Ce4+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.74–2.77 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a bent 120 degrees geometry to two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two Ce4+ atoms. In the third 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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2018-04-25. Materials Data on CeSe2 by Materials Project. https://doi.org/10.17188/1711700

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