Materials Data on HfCd by Materials Project

Abstract

HfCd crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded to five equivalent Hf and one Cd atom to form HfHf5Cd octahedra that share corners with two equivalent CdHfCd5 octahedra, corners with four equivalent HfHf5Cd octahedra, edges with four equivalent CdHfCd5 octahedra, and edges with eight equivalent HfHf5Cd octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.91 Å) and one longer (2.92 Å) Hf–Hf bond lengths. The Hf–Cd bond length is 3.00 Å. Cd is bonded to one Hf and five equivalent Cd atoms to form CdHfCd5 octahedra that share corners with two equivalent HfHf5Cd octahedra, corners with four equivalent CdHfCd5 octahedra, edges with four equivalent HfHf5Cd octahedra, and edges with eight equivalent CdHfCd5 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.91 Å) and one longer (2.95 Å) Cd–Cd bond lengths.