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DOE OSTI · 1716905

Materials Data on Er2MgSe4 by Materials Project

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Abstract

MgEr2Se4 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 ErSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–Se bond lengths are 2.62 Å. Er3+ is bonded to six equivalent Se2- atoms to form ErSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent ErSe6 octahedra. All Er–Se bond lengths are 2.85 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Er3+ atoms.

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36 MATERIALS SCIENCEcrystal structureEr-Mg-SeEr2MgSe4

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2020-05-03. Materials Data on Er2MgSe4 by Materials Project. https://doi.org/10.17188/1716905

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