CaMnS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent S(1) atoms to form CaS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra, edges with six equivalent Ca(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Ca(1)S6 octahedra, edges with six equivalent Ca(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. S(1) is bonded to three equivalent Ca(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SCa3Mn3 octahedra. The corner-sharing octahedra are not tilted.
CaMnS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent S(1) atoms to form CaS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra, edges with six equivalent Ca(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Ca(1)-S(1) bond lengths are 2.81 Å. Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Ca(1)S6 octahedra, edges with six equivalent Ca(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Mn(1)-S(1) bond lengths are 2.64 Å. S(1) is bonded to three equivalent Ca(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SCa3Mn3 octahedra. The corner-sharing octahedra are not tilted.