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DOE OSTI · 1699149

Materials Data on CeMgSe3 by Materials Project

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Abstract

MgCeSe3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six Se2- atoms to form distorted edge-sharing MgSe6 octahedra. There are a spread of Mg–Se bond distances ranging from 2.68–2.88 Å. Ce4+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.77–3.25 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Mg2+ and two equivalent Ce4+ atoms to form edge-sharing SeCe2Mg2 trigonal pyramids.

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36 MATERIALS SCIENCECe-Mg-SeCeMgSe3crystal structure

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2020-04-30. Materials Data on CeMgSe3 by Materials Project. https://doi.org/10.17188/1699149

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