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DOE OSTI · 1190605

Materials Data on Mg(ScS2)2 by Materials Project

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Abstract

Mg(ScS2)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 ScS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Mg–S bond lengths are 2.46 Å. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent ScS6 octahedra. All Sc–S bond lengths are 2.59 Å. S2- is bonded to one Mg2+ and three equivalent Sc3+ atoms to form a mixture of distorted corner and edge-sharing SMgSc3 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureMg(ScS2)2Mg-S-Sc

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2020-07-14. Materials Data on Mg(ScS2)2 by Materials Project. https://doi.org/10.17188/1190605

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