Materials Data on Ge3N4 by Materials Project

Abstract

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.