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DOE OSTI · 1317078

Materials Data on Mg(CrSe2)2 by Materials Project

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Abstract

Mg(CrSe2)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 CrSe6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Mg–Se bond lengths are 2.58 Å. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.56 Å. Se2- is bonded to one Mg2+ and three equivalent Cr3+ atoms to form a mixture of distorted corner and edge-sharing SeMgCr3 trigonal pyramids.

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36 MATERIALS SCIENCECr-Mg-Secrystal structureMg(CrSe2)2

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2020-08-03. Materials Data on Mg(CrSe2)2 by Materials Project. https://doi.org/10.17188/1317078

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