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DOE OSTI · 1718178

Materials Data on GaMo4(SeS)4 by Materials Project

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Abstract

Mo4Ga(SeS)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+3.25+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form distorted MoSe3S3 pentagonal pyramids that share corners with three equivalent GaSe4 tetrahedra and edges with six equivalent MoSe3S3 pentagonal pyramids. All Mo–Se bond lengths are 2.74 Å. All Mo–S bond lengths are 2.37 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with twelve equivalent MoSe3S3 pentagonal pyramids. All Ga–Se bond lengths are 2.41 Å. Se2- is bonded to three equivalent Mo+3.25+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SeGaMo3 tetrahedra. S2- is bonded in a 3-coordinate geometry to three equivalent Mo+3.25+ atoms.

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36 MATERIALS SCIENCEcrystal structureGa-Mo-S-SeGaMo4(SeS)4

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2020-05-03. Materials Data on GaMo4(SeS)4 by Materials Project. https://doi.org/10.17188/1718178

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