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DOE OSTI · 1717096

Materials Data on Ce(SbSe2)2 by Materials Project

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Abstract

Ce(SbSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce4+ is bonded to five Se2- atoms to form distorted edge-sharing CeSe5 trigonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.77–2.97 Å. There are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.68 Å) and one longer (3.31 Å) Sb–Se bond lengths. In the second Sb2+ site, Sb2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are one shorter (2.57 Å) and two longer (2.75 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one Ce4+ and two Sb2+ atoms. In the second Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to one Ce4+ and two Sb2+ atoms.

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36 MATERIALS SCIENCECe(SbSe2)2Ce-Sb-Secrystal structure

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2020-04-29. Materials Data on Ce(SbSe2)2 by Materials Project. https://doi.org/10.17188/1717096

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