Materials Data on Eu2TiCuO6 by Materials Project

Abstract

Eu2TiCuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.72 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There is four shorter (1.97 Å) and two longer (1.98 Å) Ti–O bond length. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are a spread of Cu–O bond distances ranging from 2.03–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Ti4+, and one Cu2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Ti4+, and one Cu2+ atom. In the third O2- site, O2- is bonded to two equivalent Eu3+, one Ti4+, and one Cu2+ atom to form distorted corner-sharing OEu2TiCu tetrahedra.