Materials Data on Yb2EuS4 by Materials Project

Abstract

EuYb2S4 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 S2- atoms to form a mixture of distorted edge and corner-sharing YbS6 octahedra. The corner-sharing octahedra tilt angles range from 53–73°. There are a spread of Yb–S bond distances ranging from 2.72–3.07 Å. In the second Yb3+ site, Yb3+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing YbS6 octahedra. The corner-sharing octahedra tilt angles range from 53–73°. There are a spread of Yb–S bond distances ranging from 2.65–3.33 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.95–3.20 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three Yb3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SYb3Eu2 square pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Yb3+, two equivalent Eu2+, and one S2- atom. The S–S bond length is 2.20 Å. In the third S2- site, S2- is bonded to three Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SYb3Eu2 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Yb3+, two equivalent Eu2+, and one S2- atom.