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DOE OSTI · 1191331

Materials Data on MgSiN2 by Materials Project

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Abstract

MgSiN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent SiN4 tetrahedra. All Mg–N bond lengths are 2.11 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 MgN4 tetrahedra. All Si–N bond lengths are 1.76 Å. N3- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form corner-sharing NMg2Si2 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureMg-N-SiMgSiN2

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2020-05-03. Materials Data on MgSiN2 by Materials Project. https://doi.org/10.17188/1191331

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