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DOE OSTI · 1758614

Materials Data on Al2HgSe4 by Materials Project

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Abstract

HgAl2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with twelve equivalent AlSe6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Hg–Se bond lengths are 2.66 Å. Al3+ is bonded to six equivalent Se2- atoms to form AlSe6 octahedra that share corners with six equivalent HgSe4 tetrahedra and edges with six equivalent AlSe6 octahedra. All Al–Se bond lengths are 2.60 Å. Se2- is bonded to one Hg2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SeAl3Hg tetrahedra.

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36 MATERIALS SCIENCEAl-Hg-SeAl2HgSe4crystal structure

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2020-09-03. Materials Data on Al2HgSe4 by Materials Project. https://doi.org/10.17188/1758614

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