Materials Data on Zn3Cd by Materials Project

Abstract

CdZn3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cd is bonded to twelve Zn atoms to form CdZn12 cuboctahedra that share corners with four equivalent CdZn12 cuboctahedra, corners with eight equivalent ZnZn8Cd4 cuboctahedra, edges with eight equivalent CdZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Cd4 cuboctahedra, faces with four equivalent CdZn12 cuboctahedra, and faces with fourteen ZnZn8Cd4 cuboctahedra. There are four shorter (2.88 Å) and eight longer (2.91 Å) Cd–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Cd and eight Zn atoms to form ZnZn8Cd4 cuboctahedra that share corners with twelve equivalent ZnZn8Cd4 cuboctahedra, edges with eight equivalent CdZn12 cuboctahedra, edges with sixteen ZnZn8Cd4 cuboctahedra, faces with four equivalent CdZn12 cuboctahedra, and faces with fourteen ZnZn8Cd4 cuboctahedra. There are four shorter (2.88 Å) and four longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Cd and eight equivalent Zn atoms to form ZnZn8Cd4 cuboctahedra that share corners with four equivalent ZnZn8Cd4 cuboctahedra, corners with eight equivalent CdZn12 cuboctahedra, edges with twenty-four ZnZn8Cd4 cuboctahedra, faces with six equivalent CdZn12 cuboctahedra, and faces with twelve ZnZn8Cd4 cuboctahedra.