Materials Data on LaSmS2 by Materials Project

Abstract

SmLaS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent LaS6 octahedra, edges with six equivalent SmS6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sm–S bond lengths are 2.85 Å. La2+ is bonded to six equivalent S2- atoms to form LaS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent SmS6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All La–S bond lengths are 2.93 Å. S2- is bonded to three equivalent Sm2+ and three equivalent La2+ atoms to form a mixture of corner and edge-sharing SLa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.