Materials Data on Sm2(Ga3Co)3 by Materials Project

Abstract

Sm2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.00–3.07 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.55 Å) and four longer (2.56 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.53–2.56 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.83 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, three Co, and five Ga atoms. There are one shorter (2.68 Å) and two longer (2.74 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sm, three Co, and five Ga atoms. There are one shorter (2.81 Å) and one longer (2.85 Å) Ga–Ga bond lengths.