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DOE OSTI · 1351516

Materials Data on Si(GeN2)2 by Materials Project

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Abstract

SiGe2N4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ge4+ is bonded to six equivalent N3- atoms to form GeN6 octahedra that share corners with six equivalent SiN4 tetrahedra and edges with six equivalent GeN6 octahedra. All Ge–N bond lengths are 2.01 Å. Si4+ is bonded to four equivalent N3- atoms to form SiN4 tetrahedra that share corners with twelve equivalent GeN6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–N bond lengths are 1.81 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ge4+ and one Si4+ atom.

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36 MATERIALS SCIENCEcrystal structureGe-N-SiSi(GeN2)2

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2020-05-02. Materials Data on Si(GeN2)2 by Materials Project. https://doi.org/10.17188/1351516

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