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DOE OSTI · 1652620

Materials Data on Sc(NF2)3 by Materials Project

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Abstract

ScNF6N2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one ScNF6 framework. In the ScNF6 framework, Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.07 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.84 Å. F1- is bonded in a linear geometry to one Sc3+ and one N1+ atom.

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36 MATERIALS SCIENCEcrystal structureF-N-ScSc(NF2)3

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2020-07-15. Materials Data on Sc(NF2)3 by Materials Project. https://doi.org/10.17188/1652620

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DOE OSTI2026

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