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DOE OSTI · 1741739

Materials Data on CeSe2 by Materials Project

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Abstract

CeSe2 crystallizes in the orthorhombic Pban space group. The structure is three-dimensional. Ce4+ is bonded in a distorted see-saw-like geometry to four Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.71–2.75 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms.

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36 MATERIALS SCIENCECe-SeCeSe2crystal structure

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2020-05-01. Materials Data on CeSe2 by Materials Project. https://doi.org/10.17188/1741739

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