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DOE OSTI · 1355385

Materials Data on ScCoSi by Materials Project

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Abstract

ScCoSi crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Co ribbons oriented in the (0, 0, 1) direction and two ScSi sheets oriented in the (0, 1, 0) direction. In each Co ribbon, Co2+ is bonded in a distorted water-like geometry to two equivalent Co2+ atoms. Both Co–Co bond lengths are 2.31 Å. In each ScSi sheet, Sc2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.85 Å) and two longer (2.93 Å) Sc–Si bond lengths. Si4- is bonded to four equivalent Sc2+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiSc4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.54 Å.

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36 MATERIALS SCIENCECo-Sc-Sicrystal structureScCoSi

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2020-07-20. Materials Data on ScCoSi by Materials Project. https://doi.org/10.17188/1355385

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