Materials Data on SmCo4Cu by Materials Project
SmCo4Cu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Cu atoms. There are three shorter (2.87 Å) and twelve longer (3.18 Å) Sm–Co bond lengths. All Sm–Cu bond lengths are 2.87 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Sm, six equivalent Co, and three equivalent Cu atoms to form distorted CoSm3Co6Cu3 cuboctahedra that share corners with nine equivalent CuSm3Co9 cuboctahedra, corners with twelve equivalent CoSm4Co6Cu2 cuboctahedra, edges with six equivalent CoSm3Co6Cu3 cuboctahedra, faces with three equivalent CuSm3Co9 cuboctahedra, and faces with twenty CoSm3Co6Cu3 cuboctahedra. All Co–Co bond lengths are 2.45 Å. All Co–Cu bond lengths are 2.87 Å. In the second Co site, Co is bonded to four equivalent Sm, six Co, and two equivalent Cu atoms to form CoSm4Co6Cu2 cuboctahedra that share corners with four equivalent CuSm3Co9 cuboctahedra, corners with twenty CoSm3Co6Cu3 cuboctahedra, edges with ten equivalent CoSm4Co6Cu2 cuboctahedra, faces with six equivalent CuSm3Co9 cuboctahedra, and faces with sixteen CoSm3Co6Cu3 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.51 Å) Co–Co bond lengths. Both Co–Cu bond lengths are 2.46 Å. Cu is bonded to three equivalent Sm and nine Co atoms to form distorted CuSm3Co9 cuboctahedra that share corners with twenty-one CoSm3Co6Cu3 cuboctahedra, edges with six equivalent CuSm3Co9 cuboctahedra, faces with two equivalent CuSm3Co9 cuboctahedra, and faces with twenty-one CoSm3Co6Cu3 cuboctahedra.