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DOE OSTI · 1313526

Materials Data on Ba4Na(BN2)3 by Materials Project

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Abstract

NaBa4(BN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form NaN6 octahedra that share faces with eight equivalent BaN6 octahedra. All Na–N bond lengths are 2.64 Å. Ba2+ is bonded to six equivalent N3- atoms to form BaN6 octahedra that share corners with six equivalent BaN6 octahedra, edges with six equivalent BaN6 octahedra, and faces with two equivalent NaN6 octahedra. The corner-sharing octahedral tilt angles are 26°. All Ba–N bond lengths are 2.90 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.36 Å. N3- is bonded in a distorted single-bond geometry to one Na1+, four equivalent Ba2+, and one B3+ atom.

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36 MATERIALS SCIENCEB-Ba-N-NaBa4Na(BN2)3crystal structure

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2020-07-14. Materials Data on Ba4Na(BN2)3 by Materials Project. https://doi.org/10.17188/1313526

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