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DOE OSTI · 1700347

Materials Data on Mn2ZnSe4 by Materials Project

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Abstract

Mn2ZnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent Se2- atoms to form MnSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent MnSe6 octahedra. All Mn–Se bond lengths are 2.58 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent MnSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–Se bond lengths are 2.48 Å. Se2- is bonded to three equivalent Mn3+ and one Zn2+ atom to form a mixture of distorted corner and edge-sharing SeMn3Zn trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureMn-Se-ZnMn2ZnSe4

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2020-05-03. Materials Data on Mn2ZnSe4 by Materials Project. https://doi.org/10.17188/1700347

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