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DOE OSTI · 1322730

Materials Data on Mg(CoS2)2 by Materials Project

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Abstract

Mg(CoS2)2 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 CoS6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Mg–S bond lengths are 2.44 Å. Co3+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.28 Å. S2- is bonded to one Mg2+ and three equivalent Co3+ atoms to form a mixture of distorted corner and edge-sharing SMgCo3 tetrahedra.

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36 MATERIALS SCIENCECo-Mg-Scrystal structureMg(CoS2)2

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2020-05-03. Materials Data on Mg(CoS2)2 by Materials Project. https://doi.org/10.17188/1322730

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