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DOE OSTI · 1208323

Materials Data on ScOF by Materials Project

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Abstract

ScOF is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sc3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing ScO3F3 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Sc–O bond distances ranging from 1.98–2.04 Å. There are two shorter (2.19 Å) and one longer (2.33 Å) Sc–F bond lengths. O2- is bonded in a distorted trigonal planar geometry to three equivalent Sc3+ atoms. F1- is bonded in a distorted trigonal planar geometry to three equivalent Sc3+ atoms.

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36 MATERIALS SCIENCEcrystal structureF-O-ScScOF

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2020-07-16. Materials Data on ScOF by Materials Project. https://doi.org/10.17188/1208323

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