Materials Data on Yb2EuO4 by Materials Project

Abstract

Yb2EuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–73°. There are a spread of Yb–O bond distances ranging from 2.23–2.42 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–73°. There are a spread of Yb–O bond distances ranging from 2.24–2.35 Å. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Yb3+ and two equivalent Eu2+ atoms. In the second O2- site, O2- is bonded to three Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing OYb3Eu2 trigonal bipyramids. In the third O2- site, O2- is bonded to three equivalent Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing OYb3Eu2 square pyramids. In the fourth O2- site, O2- is bonded to three equivalent Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing OYb3Eu2 trigonal bipyramids.