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DOE OSTI · 1271332

Materials Data on Cr2HgSe4 by Materials Project

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Abstract

HgCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent HgSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.56 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Hg–Se bond lengths are 2.68 Å. Se2- is bonded to three equivalent Cr3+ and one Hg2+ atom to form a mixture of distorted corner and edge-sharing SeCr3Hg tetrahedra.

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36 MATERIALS SCIENCECr-Hg-SeCr2HgSe4crystal structure

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2020-07-15. Materials Data on Cr2HgSe4 by Materials Project. https://doi.org/10.17188/1271332

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