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DOE OSTI · 1691363

Materials Data on CeMgS3 by Materials Project

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Abstract

MgCeS3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six S2- atoms to form distorted edge-sharing MgS6 octahedra. There are a spread of Mg–S bond distances ranging from 2.56–2.73 Å. Ce4+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ce–S bond distances ranging from 2.62–3.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Ce4+ atoms. In the second S2- site, S2- is bonded to two equivalent Mg2+ and two equivalent Ce4+ atoms to form distorted edge-sharing SCe2Mg2 trigonal pyramids.

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36 MATERIALS SCIENCECe-Mg-SCeMgS3crystal structure

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2020-05-02. Materials Data on CeMgS3 by Materials Project. https://doi.org/10.17188/1691363

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