TlCr5S8 crystallizes in the monoclinic C2/m space group. The structure consists of two 7440-28-0 atoms inside a Cr5S8 framework. In the Cr5S8 framework, there are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(2), and three equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third Cr site, Cr(3) is bonded to one S(4), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of edge, corner, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent Cr(2) atoms. In the second S site, S(2) is bonded to two equivalent Cr(2) and three equivalent Cr(3) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Cr(3) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) atoms.
TlCr5S8 crystallizes in the monoclinic C2/m space group. The structure consists of two 7440-28-0 atoms inside a Cr5S8 framework. In the Cr5S8 framework, there are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. Both Cr(1)-S(3) bond lengths are 2.41 Å. All Cr(1)-S(4) bond lengths are 2.38 Å. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(2), and three equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Cr(2)-S(4) bond length is 2.43 Å. Both Cr(2)-S(2) bond lengths are 2.52 Å. There are two shorter (2.36 Å) and one longer (2.37 Å) Cr(2)-S(1) bond length. In the third Cr site, Cr(3) is bonded to one S(4), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of edge, corner, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Cr(3)-S(4) bond length is 2.38 Å. Both Cr(3)-S(3) bond lengths are 2.35 Å. There is one shorter (2.42 Å) and two longer (2.53 Å) Cr(3)-S(2) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent Cr(2) atoms. In the second S site, S(2) is bonded to two equivalent Cr(2) and three equivalent Cr(3) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Cr(3) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) atoms.