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Materials Data on Yb(DyS2)2 by Materials Project

Yb(DyS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent DyS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent DyS8 hexagonal bipyramids. There are four shorter (2.81 Å) and four longer (3.02 Å) Yb–S bond lengths. Dy3+ is bonded to eight equivalent S2- atoms to form distorted DyS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent DyS8 hexagonal bipyramids, edges with four equivalent DyS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent DyS8 hexagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.76–2.99 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Dy3+ atoms to form a mixture of distorted face, edge, and corner-sharing SYb2Dy4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

36 MATERIALS SCIENCE↗

Materials Data on YbDyS3 by Materials Project

YbDyS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.85–3.20 Å. Dy3+ is bonded to seven S2- atoms to form a mixture of distorted corner and edge-sharing DyS7 pentagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.74–2.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Yb3+ and two equivalent Dy3+ atoms. In the second S2- site, S2- is bonded to two equivalent Yb3+ and three equivalent Dy3+ atoms to form a mixture of distorted corner and edge-sharing SYb2Dy3 square pyramids. In the third S2- site, S2- is bonded to three equivalent Yb3+ and two equivalent Dy3+ atoms to form distorted SYb3Dy2 square pyramids that share corners with eight equivalent SYb2Dy3 square pyramids and edges with six SYb3Dy2 square pyramids.

36 MATERIALS SCIENCE↗