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DOE OSTI · 1679475

Materials Data on GdBN2 by Materials Project

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Abstract

GdBN2 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Gd3+ is bonded to seven N3- atoms to form a mixture of distorted edge, face, and corner-sharing GdN7 pentagonal bipyramids. There are a spread of Gd–N bond distances ranging from 2.44–2.61 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. All B–N bond lengths are 1.47 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Gd3+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Gd3+ and one B3+ atom.

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36 MATERIALS SCIENCEB-Gd-Ncrystal structureGdBN2

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2019-01-11. Materials Data on GdBN2 by Materials Project. https://doi.org/10.17188/1679475

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36 MATERIALS SCIENCE↗