Materials Data on LiGe2N3 by Materials Project

Abstract

LiGe2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with two equivalent LiN4 tetrahedra and corners with ten equivalent GeN4 tetrahedra. There are two shorter (2.07 Å) and two longer (2.20 Å) Li–N bond lengths. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with five equivalent LiN4 tetrahedra and corners with seven equivalent GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.81–1.90 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Li1+ and two equivalent Ge4+ atoms to form corner-sharing NLi2Ge2 tetrahedra. In the second N3- site, N3- is bonded to one Li1+ and three equivalent Ge4+ atoms to form corner-sharing NLiGe3 tetrahedra.