Materials Data on HfCdO3 by Materials Project

Abstract

CdHfO3 is Pb(Zr_(1-x)Ti_x)O3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form distorted corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are a spread of Hf–O bond distances ranging from 1.98–2.27 Å. Cd2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Cd–O bond lengths are 2.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Hf4+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Hf4+ atoms.