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DOE OSTI · 1722746

Materials Data on TbOF by Materials Project

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Abstract

TbOF is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing TbO3F3 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. There are a spread of Tb–O bond distances ranging from 2.17–2.22 Å. There are two shorter (2.30 Å) and one longer (2.45 Å) Tb–F bond lengths. O2- is bonded in a distorted T-shaped geometry to three equivalent Tb3+ atoms. F1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.

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36 MATERIALS SCIENCEcrystal structureF-O-TbTbOF

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2020-05-03. Materials Data on TbOF by Materials Project. https://doi.org/10.17188/1722746

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