Materials Data on MgZnCo by Materials Project

Abstract

MgZnCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg, six equivalent Co, and six equivalent Zn atoms. There are two shorter (3.01 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are two shorter (2.87 Å) and four longer (2.95 Å) Mg–Co bond lengths. There are four shorter (2.91 Å) and two longer (2.96 Å) Mg–Zn bond lengths. Co is bonded to six equivalent Mg, two equivalent Co, and four equivalent Zn atoms to form CoMg6Zn4Co2 cuboctahedra that share corners with eight equivalent ZnMg6Zn2Co4 cuboctahedra, corners with ten equivalent CoMg6Zn4Co2 cuboctahedra, edges with six equivalent CoMg6Zn4Co2 cuboctahedra, faces with six equivalent CoMg6Zn4Co2 cuboctahedra, and faces with twelve equivalent ZnMg6Zn2Co4 cuboctahedra. Both Co–Co bond lengths are 2.49 Å. All Co–Zn bond lengths are 2.49 Å. Zn is bonded to six equivalent Mg, four equivalent Co, and two equivalent Zn atoms to form ZnMg6Zn2Co4 cuboctahedra that share corners with eight equivalent CoMg6Zn4Co2 cuboctahedra, corners with ten equivalent ZnMg6Zn2Co4 cuboctahedra, edges with six equivalent ZnMg6Zn2Co4 cuboctahedra, faces with six equivalent ZnMg6Zn2Co4 cuboctahedra, and faces with twelve equivalent CoMg6Zn4Co2 cuboctahedra. Both Zn–Zn bond lengths are 2.51 Å.