Materials Data on ZrCd by Materials Project

Abstract

ZrCd crystallizes in the tetragonal P4/nmm 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 ZrZr8Cd4 cuboctahedra, corners with eight equivalent CdZr4Cd8 cuboctahedra, edges with eight equivalent ZrZr8Cd4 cuboctahedra, edges with sixteen equivalent CdZr4Cd8 cuboctahedra, faces with six equivalent CdZr4Cd8 cuboctahedra, and faces with twelve equivalent ZrZr8Cd4 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.16 Å) Zr–Zr bond lengths. All Zr–Cd bond lengths are 3.23 Å. Cd is bonded to four equivalent Zr and eight equivalent Cd atoms to form CdZr4Cd8 cuboctahedra that share corners with four equivalent CdZr4Cd8 cuboctahedra, corners with eight equivalent ZrZr8Cd4 cuboctahedra, edges with eight equivalent CdZr4Cd8 cuboctahedra, edges with sixteen equivalent ZrZr8Cd4 cuboctahedra, faces with six equivalent ZrZr8Cd4 cuboctahedra, and faces with twelve equivalent CdZr4Cd8 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.16 Å) Cd–Cd bond lengths.