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DOE OSTI · 1732645

Materials Data on CeSe2 by Materials Project

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Abstract

CeSe2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce4+ is bonded in a 5-coordinate geometry to eleven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.89–3.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to six equivalent Ce4+ and eight Se2- atoms. There are two shorter (2.89 Å) and six longer (3.39 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded to five equivalent Ce4+ and six equivalent Se2- atoms to form a mixture of face and corner-sharing SeCe5Se6 trigonal bipyramids.

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36 MATERIALS SCIENCECe-SeCeSe2crystal structure

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2020-05-03. Materials Data on CeSe2 by Materials Project. https://doi.org/10.17188/1732645

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