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DOE OSTI · 1191334

Materials Data on BeSiN2 by Materials Project

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Abstract

BeSiN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent N3- atoms to form BeN4 tetrahedra that share corners with four equivalent BeN4 tetrahedra and corners with eight equivalent SiN4 tetrahedra. All Be–N bond lengths are 1.78 Å. Si4+ is bonded to four equivalent N3- atoms to form SiN4 tetrahedra that share corners with four equivalent SiN4 tetrahedra and corners with eight equivalent BeN4 tetrahedra. All Si–N bond lengths are 1.75 Å. N3- is bonded to two equivalent Be2+ and two equivalent Si4+ atoms to form corner-sharing NBe2Si2 tetrahedra.

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36 MATERIALS SCIENCEBe-N-SiBeSiN2crystal structure

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2020-07-23. Materials Data on BeSiN2 by Materials Project. https://doi.org/10.17188/1191334

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