In5S5Cl crystallizes in the monoclinic P2_1/m space group. There are five inequivalent In sites. In the first In site, In(1) is bonded to one S(5), two equivalent S(2), and three equivalent S(1) atoms to form edge-sharing InS6 octahedra. In the second In site, In(2) is bonded to one S(3), three equivalent S(4), and two equivalent Cl(1) atoms to form edge-sharing InS4Cl2 octahedra. In the third In site, In(3) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(5) atoms. In the fourth In site, In(4) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(3) atoms. In the fifth In site, In(5) is bonded in a 5-coordinate geometry to one S(4), two equivalent S(5), and two equivalent Cl(1) atoms. There are five inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one In(4) and three equivalent In(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(3) and two equivalent In(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one In(2) and two equivalent In(4) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one In(5) and three equivalent In(2) atoms. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one In(1), two equivalent In(3), and two equivalent In(5) atoms. Cl(1) is bonded in an L-shaped geometry to two equivalent In(2) and two equivalent In(5) atoms.
In5S5Cl crystallizes in the monoclinic P2_1/m space group. There are five inequivalent In sites. In the first In site, In(1) is bonded to one S(5), two equivalent S(2), and three equivalent S(1) atoms to form edge-sharing InS6 octahedra. The In(1)-S(5) bond length is 2.63 Å. Both In(1)-S(2) bond lengths are 2.62 Å. There is one shorter (2.65 Å) and two longer (2.68 Å) In(1)-S(1) bond lengths. In the second In site, In(2) is bonded to one S(3), three equivalent S(4), and two equivalent Cl(1) atoms to form edge-sharing InS4Cl2 octahedra. The In(2)-S(3) bond length is 2.55 Å. There are two shorter (2.57 Å) and one longer (2.59 Å) In(2)-S(4) bond length. Both In(2)-Cl(1) bond lengths are 2.78 Å. In the third In site, In(3) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(5) atoms. The In(3)-S(2) bond length is 2.52 Å. Both In(3)-S(5) bond lengths are 2.59 Å. In the fourth In site, In(4) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(3) atoms. The In(4)-S(1) bond length is 2.55 Å. Both In(4)-S(3) bond lengths are 2.54 Å. In the fifth In site, In(5) is bonded in a 5-coordinate geometry to one S(4), two equivalent S(5), and two equivalent Cl(1) atoms. The In(5)-S(4) bond length is 3.19 Å. Both In(5)-S(5) bond lengths are 3.18 Å. Both In(5)-Cl(1) bond lengths are 3.23 Å. There are five inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one In(4) and three equivalent In(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(3) and two equivalent In(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one In(2) and two equivalent In(4) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one In(5) and three equivalent In(2) atoms. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one In(1), two equivalent In(3), and two equivalent In(5) atoms. Cl(1) is bonded in an L-shaped geometry to two equivalent In(2) and two equivalent In(5) atoms.