CaMgS2 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 Mg(1)S6 octahedra, edges with six equivalent Ca(1)S6 octahedra, and edges with six equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with six equivalent Ca(1)S6 octahedra, edges with six equivalent Ca(1)S6 octahedra, and edges with six equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. S(1) is bonded to three equivalent Ca(1) and three equivalent Mg(1) atoms to form a mixture of corner and edge-sharing SCa3Mg3 octahedra. The corner-sharing octahedra are not tilted.
CaMgS2 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 Mg(1)S6 octahedra, edges with six equivalent Ca(1)S6 octahedra, and edges with six equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Ca(1)-S(1) bond lengths are 2.82 Å. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with six equivalent Ca(1)S6 octahedra, edges with six equivalent Ca(1)S6 octahedra, and edges with six equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Mg(1)-S(1) bond lengths are 2.66 Å. S(1) is bonded to three equivalent Ca(1) and three equivalent Mg(1) atoms to form a mixture of corner and edge-sharing SCa3Mg3 octahedra. The corner-sharing octahedra are not tilted.