In2S3 is beta indium sulfide structured and crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form corner-sharing InS4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. In the second In site, In(2) is bonded to one S(3), two equivalent S(2), and three equivalent S(1) atoms to form InS6 octahedra that share corners with four equivalent In(1)S4 tetrahedra, edges with two equivalent In(3)S6 octahedra, and edges with four equivalent In(2)S6 octahedra. In the third In site, In(3) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form InS6 octahedra that share corners with four equivalent In(1)S4 tetrahedra, edges with two equivalent In(3)S6 octahedra, and edges with four equivalent In(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one In(1) and three equivalent In(2) atoms to form a mixture of distorted corner and edge-sharing SIn4 tetrahedra. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(3) 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(1), one In(2), and two equivalent In(3) atoms.
In2S3 is beta indium sulfide structured and crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form corner-sharing InS4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. Both In(1)-S(1) bond lengths are 2.49 Å. Both In(1)-S(3) bond lengths are 2.48 Å. In the second In site, In(2) is bonded to one S(3), two equivalent S(2), and three equivalent S(1) atoms to form InS6 octahedra that share corners with four equivalent In(1)S4 tetrahedra, edges with two equivalent In(3)S6 octahedra, and edges with four equivalent In(2)S6 octahedra. The In(2)-S(3) bond length is 2.66 Å. Both In(2)-S(2) bond lengths are 2.56 Å. There is one shorter (2.66 Å) and two longer (2.71 Å) In(2)-S(1) bond lengths. In the third In site, In(3) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form InS6 octahedra that share corners with four equivalent In(1)S4 tetrahedra, edges with two equivalent In(3)S6 octahedra, and edges with four equivalent In(2)S6 octahedra. Both In(3)-S(2) bond lengths are 2.55 Å. All In(3)-S(3) bond lengths are 2.68 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one In(1) and three equivalent In(2) atoms to form a mixture of distorted corner and edge-sharing SIn4 tetrahedra. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(3) 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(1), one In(2), and two equivalent In(3) atoms.