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DOE OSTI · 1187219

Materials Data on Y3GaC by Materials Project

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Abstract

Y3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Y–Ga bond lengths are 3.44 Å. Both Y–C bond lengths are 2.44 Å. Ga is bonded to twelve equivalent Y atoms to form GaY12 cuboctahedra that share corners with twelve equivalent GaY12 cuboctahedra, faces with six equivalent GaY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent GaY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ga-Ycrystal structureY3GaC

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2020-07-15. Materials Data on Y3GaC by Materials Project. https://doi.org/10.17188/1187219

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36 MATERIALS SCIENCE↗