Mg2Dy3MoS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent Mo(1)S6 octahedra and corners with nine equivalent Dy(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. Dy(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Dy(1)S6 octahedra. Mo(1) is bonded to six equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Dy(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Dy(1), and one Mo(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Dy(1) atoms.
Mg2Dy3MoS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent Mo(1)S6 octahedra and corners with nine equivalent Dy(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. The Mg(1)-S(2) bond length is 2.42 Å. All Mg(1)-S(1) bond lengths are 2.52 Å. Dy(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Dy(1)S6 octahedra. Both Dy(1)-S(2) bond lengths are 2.70 Å. All Dy(1)-S(1) bond lengths are 2.74 Å. Mo(1) is bonded to six equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Dy(1)S6 octahedra. All Mo(1)-S(1) bond lengths are 2.57 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 Mg(1), two equivalent Dy(1), and one Mo(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Dy(1) atoms.