Materials Data on LaUS2 by Materials Project

Abstract

ULaS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent LaS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All U–S bond lengths are 2.77 Å. La is bonded to six equivalent S atoms to form LaS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All La–S bond lengths are 2.92 Å. S is bonded to three equivalent U and three equivalent La atoms to form a mixture of corner and edge-sharing SLa3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.