Materials Data on Sr2GaSi by Materials Project

Abstract

Sr2GaSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to three equivalent Ga and four equivalent Si atoms. There are two shorter (3.35 Å) and one longer (3.53 Å) Sr–Ga bond lengths. All Sr–Si bond lengths are 3.30 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to four equivalent Ga and three equivalent Si atoms. All Sr–Ga bond lengths are 3.31 Å. There are two shorter (3.38 Å) and one longer (3.49 Å) Sr–Si bond lengths. Ga is bonded in a 9-coordinate geometry to seven Sr and two equivalent Si atoms. Both Ga–Si bond lengths are 2.60 Å. Si is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ga atoms.