Materials Data on Zr2Cd by Materials Project

Abstract

Zr2Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Cd atoms to form ZrZr8Cd4 cuboctahedra that share corners with four equivalent CdZr8Cd4 cuboctahedra, corners with eight equivalent ZrZr8Cd4 cuboctahedra, edges with twelve equivalent ZrZr8Cd4 cuboctahedra, edges with twelve equivalent CdZr8Cd4 cuboctahedra, faces with five equivalent CdZr8Cd4 cuboctahedra, and faces with thirteen equivalent ZrZr8Cd4 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.17 Å) Zr–Zr bond lengths. All Zr–Cd bond lengths are 3.21 Å. Cd is bonded to eight equivalent Zr and four equivalent Cd atoms to form CdZr8Cd4 cuboctahedra that share corners with four equivalent CdZr8Cd4 cuboctahedra, corners with eight equivalent ZrZr8Cd4 cuboctahedra, edges with twenty-four equivalent ZrZr8Cd4 cuboctahedra, faces with eight equivalent CdZr8Cd4 cuboctahedra, and faces with ten equivalent ZrZr8Cd4 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å.