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DOE OSTI · 1262791

Materials Data on Sc3CoC4 by Materials Project

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Abstract

Sc3CoC4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded to eight equivalent C2- atoms to form face-sharing ScC8 hexagonal bipyramids. All Sc–C bond lengths are 2.38 Å. In the second Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six equivalent C2- atoms. All Sc–C bond lengths are 2.37 Å. Co2+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Co–C bond lengths are 2.07 Å. C2- is bonded in a 7-coordinate geometry to five Sc2+, one Co2+, and one C2- atom. The C–C bond length is 1.45 Å.

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36 MATERIALS SCIENCEC-Co-Sccrystal structureSc3CoC4

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2020-07-15. Materials Data on Sc3CoC4 by Materials Project. https://doi.org/10.17188/1262791

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36 MATERIALS SCIENCE↗