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DOE OSTI · 1195426

Materials Data on RuS2 by Materials Project

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Abstract

RuS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent S2- atoms to form RuS6 octahedra that share corners with twelve equivalent RuS6 octahedra and corners with six equivalent SRu3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Ru–S bond lengths are 2.37 Å. S2- is bonded to three equivalent Ru4+ and one S2- atom to form distorted SRu3S tetrahedra that share corners with three equivalent RuS6 octahedra and corners with fifteen equivalent SRu3S tetrahedra. The corner-sharing octahedral tilt angles are 77°. The S–S bond length is 2.21 Å.

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36 MATERIALS SCIENCEcrystal structureRu-SRuS2

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2017-05-20. Materials Data on RuS2 by Materials Project. https://doi.org/10.17188/1195426

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