Materials Data on Sm3Ga2Sn3 by Materials Project

Abstract

Sm3Ga2Sn3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Ga and five Sn atoms. There are two shorter (3.00 Å) and two longer (3.33 Å) Sm–Ga bond lengths. There are a spread of Sm–Sn bond distances ranging from 3.11–3.44 Å. In the second Sm site, Sm is bonded in a 10-coordinate geometry to four equivalent Ga and six Sn atoms. There are two shorter (3.26 Å) and two longer (3.35 Å) Sm–Ga bond lengths. There are a spread of Sm–Sn bond distances ranging from 3.18–3.45 Å. Ga is bonded in a 1-coordinate geometry to six Sm, one Ga, and three Sn atoms. The Ga–Ga bond length is 3.09 Å. There are two shorter (2.93 Å) and one longer (3.14 Å) Ga–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Sm, two equivalent Ga, and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 5-coordinate geometry to five Sm, two equivalent Ga, and two equivalent Sn atoms.