Materials Data on LaTmS2 by Materials Project

Abstract

TmLaS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm is bonded to six equivalent S atoms to form TmS6 octahedra that share corners with six equivalent LaS6 octahedra, edges with six equivalent TmS6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Tm–S bond lengths are 2.72 Å. La is bonded to six equivalent S atoms to form LaS6 octahedra that share corners with six equivalent TmS6 octahedra, edges with six equivalent TmS6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 6°. All La–S bond lengths are 2.95 Å. S is bonded to three equivalent Tm and three equivalent La atoms to form a mixture of edge and corner-sharing SLa3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.