Materials Data on MnGeN2 by Materials Project

Abstract

MnGeN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mn2+ is bonded to four N3- atoms to form MnN4 tetrahedra that share corners with four equivalent MnN4 tetrahedra and corners with eight equivalent GeN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 2.12–2.14 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 MnN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.88–1.90 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mn2+ and two equivalent Ge4+ atoms to form corner-sharing NMn2Ge2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mn2+ and two equivalent Ge4+ atoms to form corner-sharing NMn2Ge2 tetrahedra.