MgHoS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with nine equivalent Ho(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, and  a faceface with one Ho(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. Ho(1) is bonded to six equivalent S(1) atoms to form HoS6 octahedra that share corners with nine equivalent Mg(1)S6 octahedra, edges with three equivalent Ho(1)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ho(1) atoms.
MgHoS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with nine equivalent Ho(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, and  a faceface with one Ho(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are three shorter (2.56 Å) and three longer (2.66 Å) Mg(1)-S(1) bond lengths. Ho(1) is bonded to six equivalent S(1) atoms to form HoS6 octahedra that share corners with nine equivalent Mg(1)S6 octahedra, edges with three equivalent Ho(1)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are three shorter (2.69 Å) and three longer (2.73 Å) Ho(1)-S(1) bond lengths. S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ho(1) atoms.