Materials Data on Eu2ZrO4 by Materials Project

Abstract

Eu2ZrO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.96 Å. Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.08 Å) and two longer (2.13 Å) Zr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Zr4+ atoms to form a mixture of distorted face, edge, and corner-sharing OEu4Zr2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted linear geometry to five equivalent Eu2+ and one Zr4+ atom.