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DOE OSTI · 1748296

Materials Data on BN by Materials Project

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Abstract

BN crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.39 Å) and two longer (1.50 Å) B–N bond length. In the second B3+ site, B3+ is bonded to four N3- atoms to form corner-sharing BN4 tetrahedra. There are a spread of B–N bond distances ranging from 1.49–1.66 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four B3+ atoms to form corner-sharing NB4 tetrahedra. In the second N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms.

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36 MATERIALS SCIENCEB-NBNcrystal structure

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2020-05-03. Materials Data on BN by Materials Project. https://doi.org/10.17188/1748296

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