Ca(MnS2)2 crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CaS6 octahedra that share corners with six equivalent Mn(2)S6 octahedra, edges with two equivalent Ca(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share edges with two equivalent Mn(1)S6 octahedra, edges with four equivalent Ca(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Ca(1)S6 octahedra, edges with two equivalent Ca(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(2), and two equivalent Mn(1) atoms. In the second S site, S(2) is bonded to two equivalent Ca(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of edge and corner-sharing SCa2Mn3 square pyramids.
Ca(MnS2)2 crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CaS6 octahedra that share corners with six equivalent Mn(2)S6 octahedra, edges with two equivalent Ca(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. Both Ca(1)-S(1) bond lengths are 2.75 Å. All Ca(1)-S(2) bond lengths are 2.74 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share edges with two equivalent Mn(1)S6 octahedra, edges with four equivalent Ca(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. Both Mn(1)-S(2) bond lengths are 2.41 Å. All Mn(1)-S(1) bond lengths are 2.41 Å. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Ca(1)S6 octahedra, edges with two equivalent Ca(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. Both Mn(2)-S(1) bond lengths are 2.58 Å. All Mn(2)-S(2) bond lengths are 2.58 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(2), and two equivalent Mn(1) atoms. In the second S site, S(2) is bonded to two equivalent Ca(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of edge and corner-sharing SCa2Mn3 square pyramids.