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DOE OSTI · 1285185

Materials Data on Be3N2 by Materials Project

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Abstract

Be3N2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing BeN4 tetrahedra. There is one shorter (1.68 Å) and three longer (1.81 Å) Be–N bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Be–N bond lengths are 1.64 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Be2+ atoms to form corner-sharing NBe5 trigonal bipyramids. In the second N3- site, N3- is bonded in a 6-coordinate geometry to six equivalent Be2+ atoms.

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36 MATERIALS SCIENCEBe-NBe3N2crystal structure

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2020-07-23. Materials Data on Be3N2 by Materials Project. https://doi.org/10.17188/1285185

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