In11S16 is beta indium sulfide-like structured and crystallizes in the tetragonal P-4m2 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one S(2), two equivalent S(1), and three equivalent S(3) atoms to form InS6 octahedra that share corners with two equivalent In(3)S4 tetrahedra, corners with three equivalent In(4)S4 tetrahedra, edges with two equivalent In(2)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. In the second In site, In(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(4) atoms to form InS6 octahedra that share  a cornercorner with one In(3)S4 tetrahedra, corners with three equivalent In(4)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent In(2)S6 octahedra. In the third In site, In(3) is bonded to four equivalent S(1) atoms to form corner-sharing InS4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the fourth In site, In(4) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form corner-sharing InS4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-64°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one In(2), one In(3), and two equivalent In(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one In(4) and three equivalent In(1) atoms. In the fourth S site, S(4) is bonded to one In(4) and three equivalent In(2) atoms to form a mixture of distorted corner and edge-sharing SIn4 trigonal pyramids.
In11S16 is beta indium sulfide-like structured and crystallizes in the tetragonal P-4m2 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one S(2), two equivalent S(1), and three equivalent S(3) atoms to form InS6 octahedra that share corners with two equivalent In(3)S4 tetrahedra, corners with three equivalent In(4)S4 tetrahedra, edges with two equivalent In(2)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. The In(1)-S(2) bond length is 2.53 Å. Both In(1)-S(1) bond lengths are 2.67 Å. There are two shorter (2.65 Å) and one longer (2.69 Å) In(1)-S(3) bond length. In the second In site, In(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(4) atoms to form InS6 octahedra that share  a cornercorner with one In(3)S4 tetrahedra, corners with three equivalent In(4)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent In(2)S6 octahedra. The In(2)-S(1) bond length is 2.70 Å. Both In(2)-S(2) bond lengths are 2.57 Å. There is one shorter (2.65 Å) and two longer (2.71 Å) In(2)-S(4) bond lengths. In the third In site, In(3) is bonded to four equivalent S(1) atoms to form corner-sharing InS4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. All In(3)-S(1) bond lengths are 2.48 Å. In the fourth In site, In(4) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form corner-sharing InS4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-64°. Both In(4)-S(3) bond lengths are 2.56 Å. Both In(4)-S(4) bond lengths are 2.52 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one In(2), one In(3), and two equivalent In(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one In(4) and three equivalent In(1) atoms. In the fourth S site, S(4) is bonded to one In(4) and three equivalent In(2) atoms to form a mixture of distorted corner and edge-sharing SIn4 trigonal pyramids.