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DOE OSTI · 1746680

Materials Data on Ti(NF2)3 by Materials Project

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Abstract

TiNF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one TiNF6 framework. In the TiNF6 framework, Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.91 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 2.08 Å. F1- is bonded in a distorted linear geometry to one Ti3+ and one N1+ atom.

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

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2020-05-03. Materials Data on Ti(NF2)3 by Materials Project. https://doi.org/10.17188/1746680

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