Materials Data on MgGeN2 by Materials Project

Abstract

MgGeN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent GeN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.12 Å. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with four equivalent GeN4 tetrahedra and corners with eight equivalent MgN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.87–1.89 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Ge4+ atoms to form corner-sharing NMg2Ge2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Ge4+ atoms to form corner-sharing NMg2Ge2 tetrahedra.