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DOE OSTI · 1272388

Materials Data on K(RuO2)4 by Materials Project

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Abstract

KRu4O8 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.96 Å. Ru+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ru–O bond distances ranging from 1.95–2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ru+3.75+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Ru+3.75+ atoms.

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36 MATERIALS SCIENCEcrystal structureK(RuO2)4K-O-Ru

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2020-07-16. Materials Data on K(RuO2)4 by Materials Project. https://doi.org/10.17188/1272388

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