Materials Data on YbCeS3 by Materials Project

Abstract

YbCeS3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Yb3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Yb–S bond distances ranging from 2.70–2.85 Å. Ce3+ is bonded in a 6-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.71–3.25 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Ce3+ atoms. In the second S2- site, S2- is bonded to two equivalent Yb3+ and two equivalent Ce3+ atoms to form corner-sharing SYb2Ce2 tetrahedra.