Materials Data on Sr2GaGeN by Materials Project

Abstract

Sr2GaGeN crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 3-coordinate geometry to two equivalent Ge and three equivalent N atoms. Both Sr–Ge bond lengths are 3.41 Å. There are one shorter (2.52 Å) and two longer (2.78 Å) Sr–N bond lengths. In the second Sr site, Sr is bonded in a 2-coordinate geometry to three equivalent Ge and two equivalent N atoms. All Sr–Ge bond lengths are 3.38 Å. Both Sr–N bond lengths are 2.73 Å. Ga is bonded in a distorted single-bond geometry to two equivalent Ge and one N atom. Both Ga–Ge bond lengths are 2.49 Å. The Ga–N bond length is 1.89 Å. Ge is bonded in a 7-coordinate geometry to five Sr and two equivalent Ga atoms. N is bonded to five Sr and one Ga atom to form distorted edge-sharing NSr5Ga octahedra.