Materials Data on SrZrO3 by Materials Project

Abstract

SrZrO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional and consists of one SrO3 framework and one zirconium molecule. In the SrO3 framework, Sr2+ is bonded to six O2- atoms to form corner-sharing SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Sr–O bond distances ranging from 2.19–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Sr2+ atoms.