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DOE OSTI · 1738218

Materials Data on Cu3RuN by Materials Project

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Abstract

RuCu3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru is bonded to twelve equivalent Cu atoms to form RuCu12 cuboctahedra that share corners with twelve equivalent RuCu12 cuboctahedra, faces with six equivalent RuCu12 cuboctahedra, and faces with eight equivalent NCu6 octahedra. All Ru–Cu bond lengths are 2.74 Å. Cu is bonded in a linear geometry to four equivalent Ru and two equivalent N atoms. Both Cu–N bond lengths are 1.94 Å. N is bonded to six equivalent Cu atoms to form NCu6 octahedra that share corners with six equivalent NCu6 octahedra and faces with eight equivalent RuCu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureCu-N-RuCu3RuN

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2020-05-02. Materials Data on Cu3RuN by Materials Project. https://doi.org/10.17188/1738218

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