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DOE OSTI · 1747375

Materials Data on PrCu3(RuO3)4 by Materials Project

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Abstract

PrCu3(RuO3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All Pr–O bond lengths are 2.64 Å. Ru+4.50+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent PrO12 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 1.96 Å. O2- is bonded in a 4-coordinate geometry to one Pr3+, two equivalent Ru+4.50+, and one Cu1+ atom.

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36 MATERIALS SCIENCEcrystal structureCu-O-Pr-RuPrCu3(RuO3)4

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2020-05-03. Materials Data on PrCu3(RuO3)4 by Materials Project. https://doi.org/10.17188/1747375

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