Materials Data on YbEuCuS3 by Materials Project

Abstract

YbEuCuS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six S2- atoms to form YbS6 octahedra that share corners with two equivalent YbS6 octahedra, edges with two equivalent YbS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.74 Å) and four longer (2.80 Å) Yb–S bond lengths. Eu2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are two shorter (2.90 Å) and four longer (2.94 Å) Eu–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and edges with four equivalent YbS6 octahedra. There are two shorter (2.31 Å) and two longer (2.35 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Yb3+, two equivalent Eu2+, and one Cu1+ atom. In the second S2- site, S2- is bonded to two equivalent Yb3+, two equivalent Eu2+, and two equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SYb2Eu2Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.