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DOE OSTI · 1271390

Materials Data on Mg(ScSe2)2 by Materials Project

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Abstract

Mg(ScSe2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent ScSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Mg–Se bond lengths are 2.58 Å. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent ScSe6 octahedra. All Sc–Se bond lengths are 2.72 Å. Se2- is bonded to one Mg2+ and three equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing SeMgSc3 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureMg(ScSe2)2Mg-Sc-Se

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2020-07-14. Materials Data on Mg(ScSe2)2 by Materials Project. https://doi.org/10.17188/1271390

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