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DOE OSTI · 1709744

Materials Data on SmBN2 by Materials Project

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Abstract

SmBN2 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Sm3+ is bonded to seven N3- atoms to form a mixture of distorted edge, face, and corner-sharing SmN7 pentagonal bipyramids. There are a spread of Sm–N bond distances ranging from 2.47–2.64 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Sm3+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Sm3+ and one B3+ atom.

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36 MATERIALS SCIENCEB-N-Smcrystal structureSmBN2

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2020-05-02. Materials Data on SmBN2 by Materials Project. https://doi.org/10.17188/1709744

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36 MATERIALS SCIENCE↗