Materials Data on Eu2HoTaO6 by Materials Project

Abstract

HoEu2TaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 28–31°. There are a spread of Ho–O bond distances ranging from 2.24–2.26 Å. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.47–2.95 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 28–31°. There are four shorter (2.02 Å) and two longer (2.03 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ho3+, two equivalent Eu2+, and one Ta5+ atom to form distorted corner-sharing OEu2HoTa tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ho3+, three equivalent Eu2+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ho3+, three equivalent Eu2+, and one Ta5+ atom.