Materials Data on Eu3TaO6 by Materials Project

Abstract

Eu3TaO6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu+2.33+ sites. In the first Eu+2.33+ site, Eu+2.33+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, faces with four equivalent EuO6 octahedra, and faces with four equivalent TaO6 octahedra. All Eu–O bond lengths are 3.01 Å. In the second Eu+2.33+ site, Eu+2.33+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–O bond lengths are 2.27 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent EuO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to five Eu+2.33+ and one Ta5+ atom.