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DOE OSTI · 1191393

Materials Data on Y2MgSe4 by Materials Project

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Abstract

MgY2Se4 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 YSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–Se bond lengths are 2.62 Å. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent YSe6 octahedra. All Y–Se bond lengths are 2.87 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Y3+ atoms.

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36 MATERIALS SCIENCEcrystal structureMg-Se-YY2MgSe4

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2020-07-14. Materials Data on Y2MgSe4 by Materials Project. https://doi.org/10.17188/1191393

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