Materials Data on Sm2Ga2Co15 by Materials Project

Abstract

Sm2Co15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to eighteen Co and one Ga atom. There are a spread of Sm–Co bond distances ranging from 2.93–3.32 Å. The Sm–Ga bond length is 3.00 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Sm, eight Co, and two equivalent Ga atoms to form distorted CoSm2Ga2Co8 cuboctahedra that share corners with fourteen CoSm2Ga2Co8 cuboctahedra, edges with six equivalent CoSm3GaCo8 cuboctahedra, and faces with ten CoSm2Ga2Co8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.44 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.54 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Sm, eight Co, and two equivalent Ga atoms. There are two shorter (2.43 Å) and four longer (2.57 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.76 Å. In the third Co site, Co is bonded to three equivalent Sm, eight Co, and one Ga atom to form a mixture of edge, face, and corner-sharing CoSm3GaCo8 cuboctahedra. Both Co–Co bond lengths are 2.46 Å. The Co–Ga bond length is 2.60 Å. Ga is bonded in a 7-coordinate geometry to one Sm, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.62 Å.