Materials Data on Yb2EuSe4 by Materials Project

Abstract

EuYb2Se4 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 Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–72°. There are a spread of Yb–Se bond distances ranging from 2.86–3.02 Å. In the second Yb3+ site, Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–72°. There are a spread of Yb–Se bond distances ranging from 2.89–3.00 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.09–3.34 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SeYb3Eu2 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Yb3+ and two equivalent Eu2+ atoms. In the third Se2- site, Se2- is bonded to three equivalent Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SeYb3Eu2 square pyramids. In the fourth Se2- site, Se2- is bonded to three Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SeYb3Eu2 trigonal bipyramids.