LiYS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six S(1,1) atoms to form LiS6 octahedra that share corners with two equivalent Y(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Y(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Y(1) is bonded to six S(1,1,1,1) atoms to form YS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Y(1)S6 octahedra, edges with four equivalent Y(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
LiYS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six S(1,1) atoms to form LiS6 octahedra that share corners with two equivalent Y(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Y(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four shorter (2.72 Å) and two longer (2.83 Å) Li(1)-S(1,1) bond lengths. Y(1) is bonded to six S(1,1,1,1) atoms to form YS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Y(1)S6 octahedra, edges with four equivalent Y(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Y(1)-S(1,1,1,1) bond lengths are 2.72 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two shorter (2.72 Å) and one longer (2.83 Å) S(1)-Li(1) bond length. In the third S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two shorter (2.72 Å) and one longer (2.83 Å) S(1)-Li(1) bond length. In the fourth S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.