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DOE OSTI · 1751134

Materials Data on Tm2N3 by Materials Project

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Abstract

Tm2N3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent N2- atoms to form a mixture of distorted edge and corner-sharing TmN6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Tm–N bond lengths are 2.31 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent N2- atoms to form a mixture of distorted edge and corner-sharing TmN6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Tm–N bond distances ranging from 2.29–2.36 Å. N2- is bonded to four Tm3+ atoms to form a mixture of distorted edge and corner-sharing NTm4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureN-TmTm2N3

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2020-05-02. Materials Data on Tm2N3 by Materials Project. https://doi.org/10.17188/1751134

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