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DOE OSTI · 1727905

Materials Data on Ce2MgS4 by Materials Project

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Abstract

MgCe2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.52 Å. Ce3+ is bonded to six equivalent S2- atoms to form CeS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent CeS6 octahedra. All Ce–S bond lengths are 2.85 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Ce3+ atoms.

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36 MATERIALS SCIENCECe-Mg-SCe2MgS4crystal structure

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2020-04-29. Materials Data on Ce2MgS4 by Materials Project. https://doi.org/10.17188/1727905

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