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DOE OSTI · 1275380

Materials Data on La3(BN2)2 by Materials Project

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Abstract

La3(B2N4) crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to six equivalent N3- atoms to form distorted edge-sharing LaN6 pentagonal pyramids. There are two shorter (2.54 Å) and four longer (2.61 Å) La–N bond lengths. In the second La2+ site, La2+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All La–N bond lengths are 2.73 Å. B3+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.48 Å. N3- is bonded in a distorted single-bond geometry to five La2+ and one B3+ atom.

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36 MATERIALS SCIENCEB-La-Ncrystal structureLa3(BN2)2

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2020-07-16. Materials Data on La3(BN2)2 by Materials Project. https://doi.org/10.17188/1275380

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36 MATERIALS SCIENCE↗