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DOE OSTI · 1279585

Materials Data on SrCu3(RuO3)4 by Materials Project

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Abstract

SrCu3(RuO3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All Sr–O bond lengths are 2.68 Å. Ru+4.75+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Ru–O bond lengths are 2.02 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.94 Å. O2- is bonded in a 3-coordinate geometry to one Sr2+, two equivalent Ru+4.75+, and one Cu1+ atom.

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36 MATERIALS SCIENCEcrystal structureCu-O-Ru-SrSrCu3(RuO3)4

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2020-07-15. Materials Data on SrCu3(RuO3)4 by Materials Project. https://doi.org/10.17188/1279585

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