MgScS3 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 Sc(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, and  a faceface with one Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Sc(1) is bonded to six equivalent S(1) atoms to form ScS6 octahedra that share corners with nine equivalent Mg(1)S6 octahedra, edges with three equivalent Sc(1)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Sc(1) atoms.
MgScS3 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 Sc(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, and  a faceface with one Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are three shorter (2.54 Å) and three longer (2.67 Å) Mg(1)-S(1) bond lengths. Sc(1) is bonded to six equivalent S(1) atoms to form ScS6 octahedra that share corners with nine equivalent Mg(1)S6 octahedra, edges with three equivalent Sc(1)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are three shorter (2.55 Å) and three longer (2.59 Å) Sc(1)-S(1) bond lengths. S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Sc(1) atoms.