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DOE OSTI · 1717786

Materials Data on Cr2Rh2C by Materials Project

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Abstract

Cr2Rh2C is H-Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Cr2Rh2C sheets oriented in the (0, 0, 1) direction. Cr is bonded in a 3-coordinate geometry to three equivalent Rh and three equivalent C atoms. All Cr–Rh bond lengths are 2.60 Å. All Cr–C bond lengths are 1.97 Å. Rh is bonded to three equivalent Cr atoms to form distorted RhCr3 cuboctahedra that share corners with six equivalent RhCr3 cuboctahedra, corners with six equivalent CCr6 octahedra, and a faceface with one CCr6 octahedra. The corner-sharing octahedral tilt angles are 45°. C is bonded to six equivalent Cr atoms to form CCr6 octahedra that share corners with twelve equivalent RhCr3 cuboctahedra, edges with six equivalent CCr6 octahedra, and faces with two equivalent RhCr3 cuboctahedra.

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36 MATERIALS SCIENCEC-Cr-RhCr2Rh2Ccrystal structure

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2020-05-02. Materials Data on Cr2Rh2C by Materials Project. https://doi.org/10.17188/1717786

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