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Materials Data on Yb2EuS4 by Materials Project

EuYb2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb3+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent EuS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent EuS8 hexagonal bipyramids. There are two shorter (2.86 Å) and six longer (2.87 Å) Yb–S bond lengths. Eu2+ is bonded to eight equivalent S2- atoms to form distorted EuS8 hexagonal bipyramids that share corners with eight equivalent YbS8 hexagonal bipyramids, edges with four equivalent EuS8 hexagonal bipyramids, and faces with eight equivalent YbS8 hexagonal bipyramids. There are four shorter (2.86 Å) and four longer (2.88 Å) Eu–S bond lengths. S2- is bonded to four equivalent Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge, corner, and face-sharing SYb4Eu2 octahedra. The corner-sharing octahedra tilt angles range from 14–51°.

36 MATERIALS SCIENCE↗

Materials Data on Yb2EuS4 by Materials Project

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.

36 MATERIALS SCIENCE↗