Materials Data on SrEu4O5 by Materials Project

Abstract

SrEu4O5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four equivalent EuO6 octahedra, and edges with twelve equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.56 Å) and four longer (2.60 Å) Sr–O bond lengths. Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share a cornercorner with one SrO6 octahedra, corners with five equivalent EuO6 octahedra, edges with three equivalent SrO6 octahedra, and edges with nine equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Eu–O bond distances ranging from 2.51–2.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and four equivalent Eu2+ atoms to form OSr2Eu4 octahedra that share corners with six OSr2Eu4 octahedra and edges with twelve OSrEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded to one Sr2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OSrEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the third O2- site, O2- is bonded to one Sr2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OSrEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the fourth O2- site, O2- is bonded to one Sr2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OSrEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of O–Eu bond distances ranging from 2.51–2.56 Å.