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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ge3N4 by Materials Project

Ge3N4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There is three shorter (1.85 Å) and one longer (1.86 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Ge4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3N4 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3N4 by Materials Project

Ge3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ge4+ is bonded to four equivalent N3- atoms to form corner-sharing GeN4 tetrahedra. All Ge–N bond lengths are 1.86 Å. N3- is bonded in a trigonal planar geometry to three equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3N4 by Materials Project

Ge3N4 crystallizes in the trigonal P31c space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.84–1.86 Å. In the second Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There is two shorter (1.85 Å) and two longer (1.86 Å) Ge–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three Ge4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Ge4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Ge4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗