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DOE OSTI · 1740993

Materials Data on Nd2MgSe4 by Materials Project

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Abstract

MgNd2Se4 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 NdSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–Se bond lengths are 2.66 Å. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent NdSe6 octahedra. All Nd–Se bond lengths are 2.97 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Nd3+ atoms.

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36 MATERIALS SCIENCEcrystal structureMg-Nd-SeNd2MgSe4

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2020-04-29. Materials Data on Nd2MgSe4 by Materials Project. https://doi.org/10.17188/1740993

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