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DOE OSTI · 1689413

Materials Data on Na2BN by Materials Project

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Abstract

Na2BN crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Na2BN ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted single-bond geometry to one B3- atom. The Na–B bond length is 2.97 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to two equivalent B3- atoms. Both Na–B bond lengths are 2.77 Å. B3- is bonded in a distorted bent 120 degrees geometry to three Na1+ and two equivalent N1+ atoms. Both B–N bond lengths are 1.43 Å. N1+ is bonded in a bent 120 degrees geometry to two equivalent B3- atoms.

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36 MATERIALS SCIENCEB-N-Nacrystal structureNa2BN

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2019-01-11. Materials Data on Na2BN by Materials Project. https://doi.org/10.17188/1689413

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36 MATERIALS SCIENCE↗