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DOE OSTI · 1193064

Materials Data on Be3N2 by Materials Project

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Abstract

Be3N2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Be2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing BeN4 tetrahedra. There are a spread of Be–N bond distances ranging from 1.70–1.79 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. In the second N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedral tilt angles are 59°.

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2020-07-22. Materials Data on Be3N2 by Materials Project. https://doi.org/10.17188/1193064

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