Materials Data on Y2AsS by Materials Project

Abstract

Y2AsS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded to three equivalent As and three equivalent S atoms to form a mixture of corner and edge-sharing YAs3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–As bond lengths are 2.85 Å. All Y–S bond lengths are 2.84 Å. As is bonded to six equivalent Y atoms to form AsY6 octahedra that share corners with six equivalent SY6 octahedra, edges with six equivalent AsY6 octahedra, and edges with six equivalent SY6 octahedra. The corner-sharing octahedral tilt angles are 0°. S is bonded to six equivalent Y atoms to form SY6 octahedra that share corners with six equivalent AsY6 octahedra, edges with six equivalent AsY6 octahedra, and edges with six equivalent SY6 octahedra. The corner-sharing octahedral tilt angles are 0°.