Materials Data on MgZnCu by Materials Project

Abstract

MgCuZn 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 Cu, and six equivalent Zn atoms. There are two shorter (3.10 Å) and two longer (3.14 Å) Mg–Mg bond lengths. There are two shorter (2.97 Å) and four longer (2.98 Å) Mg–Cu bond lengths. There are two shorter (2.98 Å) and four longer (2.99 Å) Mg–Zn bond lengths. Cu is bonded to six equivalent Mg, two equivalent Cu, and four equivalent Zn atoms to form CuMg6Zn4Cu2 cuboctahedra that share corners with eight equivalent ZnMg6Zn2Cu4 cuboctahedra, corners with ten equivalent CuMg6Zn4Cu2 cuboctahedra, edges with six equivalent CuMg6Zn4Cu2 cuboctahedra, faces with six equivalent CuMg6Zn4Cu2 cuboctahedra, and faces with twelve equivalent ZnMg6Zn2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.56 Å. All Cu–Zn bond lengths are 2.54 Å. Zn is bonded to six equivalent Mg, four equivalent Cu, and two equivalent Zn atoms to form ZnMg6Zn2Cu4 cuboctahedra that share corners with eight equivalent CuMg6Zn4Cu2 cuboctahedra, corners with ten equivalent ZnMg6Zn2Cu4 cuboctahedra, edges with six equivalent ZnMg6Zn2Cu4 cuboctahedra, faces with six equivalent ZnMg6Zn2Cu4 cuboctahedra, and faces with twelve equivalent CuMg6Zn4Cu2 cuboctahedra. Both Zn–Zn bond lengths are 2.54 Å.