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DOE OSTI · 1728199

Materials Data on Tb2N3 by Materials Project

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Abstract

Tb2N3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tb+3.50+ sites. In the first Tb+3.50+ site, Tb+3.50+ is bonded to six equivalent N+2.33- atoms to form a mixture of distorted edge and corner-sharing TbN6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Tb–N bond lengths are 2.37 Å. In the second Tb+3.50+ site, Tb+3.50+ is bonded to six equivalent N+2.33- atoms to form a mixture of distorted edge and corner-sharing TbN6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Tb–N bond distances ranging from 2.34–2.42 Å. N+2.33- is bonded to four Tb+3.50+ atoms to form a mixture of distorted edge and corner-sharing NTb4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureN-TbTb2N3

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2020-05-02. Materials Data on Tb2N3 by Materials Project. https://doi.org/10.17188/1728199

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