Materials Data on ZnGeN2 by Materials Project

Abstract

ZnGeN2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with six equivalent ZnN4 tetrahedra and corners with six equivalent GeN4 tetrahedra. There are three shorter (1.99 Å) and one longer (2.12 Å) Zn–N bond lengths. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with six equivalent ZnN4 tetrahedra and corners with six equivalent GeN4 tetrahedra. There is one shorter (1.80 Å) and three longer (1.99 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to one Zn2+ and three equivalent Ge4+ atoms to form corner-sharing NZnGe3 tetrahedra. In the second N3- site, N3- is bonded to three equivalent Zn2+ and one Ge4+ atom to form corner-sharing NZn3Ge tetrahedra.