Materials Data on Gd(CuS)3 by Materials Project

Abstract

Gd(CuS)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent S2- atoms to form GdS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent GdS6 octahedra, and edges with six equivalent CuS4 tetrahedra. There are three shorter (2.78 Å) and three longer (2.79 Å) Gd–S bond lengths. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent GdS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent GdS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. There are three shorter (2.38 Å) and one longer (2.43 Å) Cu–S bond lengths. S2- is bonded in a 6-coordinate geometry to two equivalent Gd3+ and four equivalent Cu1+ atoms.