Mn4CdS5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form MnS6 octahedra that share corners with three equivalent Mn(2)S6 octahedra, corners with three equivalent Cd(1)S6 octahedra, edges with three equivalent Mn(2)S6 octahedra, edges with three equivalent Cd(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Mn site, Mn(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form a mixture of corner and edge-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Cd(1) is bonded to six equivalent S(1) atoms to form CdS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra, edges with six equivalent Mn(1)S6 octahedra, and edges with six equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mn(1) and three equivalent Cd(1) atoms to form SMn3Cd3 octahedra that share corners with three equivalent S(1)Mn3Cd3 octahedra, corners with three equivalent S(3)Mn6 octahedra, edges with three equivalent S(3)Mn6 octahedra, and edges with nine equivalent S(1)Mn3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(2) is bonded to six equivalent Mn(2) atoms to form a mixture of corner and edge-sharing SMn6 octahedra. The corner-sharing octahedra are not tilted. In the third S site, S(3) is bonded to three equivalent Mn(1) and three equivalent Mn(2) atoms to form SMn6 octahedra that share corners with three equivalent S(1)Mn3Cd3 octahedra, corners with three equivalent S(2)Mn6 octahedra, edges with three equivalent S(1)Mn3Cd3 octahedra, edges with three equivalent S(2)Mn6 octahedra, and edges with six equivalent S(3)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.
Mn4CdS5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form MnS6 octahedra that share corners with three equivalent Mn(2)S6 octahedra, corners with three equivalent Cd(1)S6 octahedra, edges with three equivalent Mn(2)S6 octahedra, edges with three equivalent Cd(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. All Mn(1)-S(1) bond lengths are 2.57 Å. All Mn(1)-S(3) bond lengths are 2.59 Å. In the second Mn site, Mn(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form a mixture of corner and edge-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. All Mn(2)-S(2) bond lengths are 2.60 Å. All Mn(2)-S(3) bond lengths are 2.60 Å. Cd(1) is bonded to six equivalent S(1) atoms to form CdS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra, edges with six equivalent Mn(1)S6 octahedra, and edges with six equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Cd(1)-S(1) bond lengths are 2.72 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mn(1) and three equivalent Cd(1) atoms to form SMn3Cd3 octahedra that share corners with three equivalent S(1)Mn3Cd3 octahedra, corners with three equivalent S(3)Mn6 octahedra, edges with three equivalent S(3)Mn6 octahedra, and edges with nine equivalent S(1)Mn3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(2) is bonded to six equivalent Mn(2) atoms to form a mixture of corner and edge-sharing SMn6 octahedra. The corner-sharing octahedra are not tilted. In the third S site, S(3) is bonded to three equivalent Mn(1) and three equivalent Mn(2) atoms to form SMn6 octahedra that share corners with three equivalent S(1)Mn3Cd3 octahedra, corners with three equivalent S(2)Mn6 octahedra, edges with three equivalent S(1)Mn3Cd3 octahedra, edges with three equivalent S(2)Mn6 octahedra, and edges with six equivalent S(3)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.