Materials Data on Ba2GaGeN by Materials Project
Ba2GaGeN crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted L-shaped geometry to four equivalent Ge and two equivalent N atoms. There are a spread of Ba–Ge bond distances ranging from 3.56–3.78 Å. Both Ba–N bond lengths are 2.89 Å. In the second Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent Ge and three equivalent N atoms. There are two shorter (3.60 Å) and one longer (3.77 Å) Ba–Ge bond lengths. There are one shorter (2.72 Å) and two longer (2.95 Å) Ba–N bond lengths. Ga is bonded in a distorted single-bond geometry to two equivalent Ge and one N atom. Both Ga–Ge bond lengths are 2.54 Å. The Ga–N bond length is 1.90 Å. Ge is bonded in a 2-coordinate geometry to seven Ba and two equivalent Ga atoms. N is bonded to five Ba and one Ga atom to form distorted edge-sharing NBa5Ga octahedra.