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DOE OSTI · 1707502

Materials Data on Lu3GaC by Materials Project

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Abstract

Lu3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Lu–Ga bond lengths are 3.34 Å. Both Lu–C bond lengths are 2.36 Å. Ga is bonded to twelve equivalent Lu atoms to form GaLu12 cuboctahedra that share corners with twelve equivalent GaLu12 cuboctahedra, faces with six equivalent GaLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent GaLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ga-Lucrystal structureLu3GaC

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2020-05-02. Materials Data on Lu3GaC by Materials Project. https://doi.org/10.17188/1707502

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