Materials Data on HfCdO3 by Materials Project

Abstract

CdHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are four shorter (2.09 Å) and two longer (2.11 Å) Hf–O bond lengths. Cd2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.30–2.85 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Hf4+ and three equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to two equivalent Hf4+ and two equivalent Cd2+ atoms to form distorted corner-sharing OHf2Cd2 tetrahedra.