Materials Data on Sr4GaSi3 by Materials Project

Abstract

Sr4GaSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to one Ga and six Si atoms. The Sr–Ga bond length is 3.49 Å. There are four shorter (3.29 Å) and two longer (3.30 Å) Sr–Si bond lengths. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Ga and five Si atoms. Both Sr–Ga bond lengths are 3.37 Å. There are four shorter (3.29 Å) and one longer (3.42 Å) Sr–Si bond lengths. In the third Sr site, Sr is bonded in a 7-coordinate geometry to four equivalent Ga and three Si atoms. All Sr–Ga bond lengths are 3.30 Å. There are two shorter (3.39 Å) and one longer (3.44 Å) Sr–Si bond lengths. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Sr–Si bond distances ranging from 3.29–3.42 Å. Ga is bonded in a 9-coordinate geometry to seven Sr and two equivalent Si atoms. Both Ga–Si bond lengths are 2.57 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Sr and two equivalent Si atoms. Both Si–Si bond lengths are 2.52 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Sr and two equivalent Si atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ga atoms.