Y4GeS3 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Ge(1) and three equivalent S(1) atoms to form YGe3S3 octahedra that share corners with three equivalent Y(1)Ge3S3 octahedra, corners with three equivalent Y(2)S6 octahedra, edges with three equivalent Y(2)S6 octahedra, and edges with nine equivalent Y(1)Ge3S3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Y site, Y(2) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form YS6 octahedra that share corners with three equivalent Y(1)Ge3S3 octahedra, corners with three equivalent Y(2)S6 octahedra, edges with three equivalent Y(1)Ge3S3 octahedra, and edges with nine equivalent Y(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Ge(1) is bonded to six equivalent Y(1) atoms to form GeY6 octahedra that share corners with six equivalent S(1)Y6 octahedra, edges with six equivalent Ge(1)Y6 octahedra, and edges with six equivalent S(1)Y6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Y(1) and three equivalent Y(2) atoms to form SY6 octahedra that share corners with three equivalent Ge(1)Y6 octahedra, corners with three equivalent S(2)Y6 octahedra, edges with three equivalent Ge(1)Y6 octahedra, edges with three equivalent S(2)Y6 octahedra, and edges with six equivalent S(1)Y6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second S site, S(2) is bonded to six equivalent Y(2) atoms to form a mixture of edge and corner-sharing SY6 octahedra. The corner-sharing octahedral tilt angles are 2°.
Y4GeS3 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Ge(1) and three equivalent S(1) atoms to form YGe3S3 octahedra that share corners with three equivalent Y(1)Ge3S3 octahedra, corners with three equivalent Y(2)S6 octahedra, edges with three equivalent Y(2)S6 octahedra, and edges with nine equivalent Y(1)Ge3S3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Y(1)-Ge(1) bond lengths are 2.82 Å. All Y(1)-S(1) bond lengths are 2.88 Å. In the second Y site, Y(2) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form YS6 octahedra that share corners with three equivalent Y(1)Ge3S3 octahedra, corners with three equivalent Y(2)S6 octahedra, edges with three equivalent Y(1)Ge3S3 octahedra, and edges with nine equivalent Y(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Y(2)-S(1) bond lengths are 2.82 Å. All Y(2)-S(2) bond lengths are 2.76 Å. Ge(1) is bonded to six equivalent Y(1) atoms to form GeY6 octahedra that share corners with six equivalent S(1)Y6 octahedra, edges with six equivalent Ge(1)Y6 octahedra, and edges with six equivalent S(1)Y6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Y(1) and three equivalent Y(2) atoms to form SY6 octahedra that share corners with three equivalent Ge(1)Y6 octahedra, corners with three equivalent S(2)Y6 octahedra, edges with three equivalent Ge(1)Y6 octahedra, edges with three equivalent S(2)Y6 octahedra, and edges with six equivalent S(1)Y6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second S site, S(2) is bonded to six equivalent Y(2) atoms to form a mixture of edge and corner-sharing SY6 octahedra. The corner-sharing octahedral tilt angles are 2°.