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DOE OSTI · 1208384

Materials Data on Ge3N4 by Materials Project

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Abstract

Ge3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six equivalent N3- atoms to form GeN6 octahedra that share corners with six equivalent GeN4 tetrahedra and edges with six equivalent GeN6 octahedra. All Ge–N bond lengths are 2.01 Å. In the second Ge4+ site, Ge4+ is bonded to four equivalent N3- atoms to form corner-sharing GeN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Ge–N bond lengths are 1.92 Å. N3- is bonded to four Ge4+ atoms to form a mixture of distorted corner and edge-sharing NGe4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureGe-NGe3N4

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2020-07-16. Materials Data on Ge3N4 by Materials Project. https://doi.org/10.17188/1208384

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