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DOE OSTI · 1728082

Materials Data on CrRu by Materials Project

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Abstract

CrRu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr is bonded to six equivalent Cr and six equivalent Ru atoms to form distorted CrCr6Ru6 cuboctahedra that share corners with eighteen equivalent CrCr6Ru6 cuboctahedra, edges with six equivalent CrCr6Ru6 cuboctahedra, edges with twelve equivalent RuCr6Ru6 cuboctahedra, faces with eight equivalent CrCr6Ru6 cuboctahedra, and faces with twelve equivalent RuCr6Ru6 cuboctahedra. All Cr–Cr bond lengths are 2.66 Å. All Cr–Ru bond lengths are 2.61 Å. Ru is bonded to six equivalent Cr and six equivalent Ru atoms to form distorted RuCr6Ru6 cuboctahedra that share corners with eighteen equivalent RuCr6Ru6 cuboctahedra, edges with six equivalent RuCr6Ru6 cuboctahedra, edges with twelve equivalent CrCr6Ru6 cuboctahedra, faces with eight equivalent RuCr6Ru6 cuboctahedra, and faces with twelve equivalent CrCr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.66 Å.

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36 MATERIALS SCIENCECr-RuCrRucrystal structure

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2020-05-02. Materials Data on CrRu by Materials Project. https://doi.org/10.17188/1728082

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