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DOE OSTI · 1309160

Materials Data on Sc3InC by Materials Project

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Abstract

Sc3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent In and two equivalent C atoms. All Sc–In bond lengths are 3.22 Å. Both Sc–C bond lengths are 2.28 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent InSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-In-Sccrystal structureSc3InC

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2020-07-16. Materials Data on Sc3InC by Materials Project. https://doi.org/10.17188/1309160

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