Materials Data on YbDyS3 by Materials Project

Abstract

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.