The structure described by 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. is represented by the CIF file [CIF]
data_TlCr5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.484
_cell_length_b   8.704
_cell_length_c   9.164
_cell_angle_alpha   104.959
_cell_angle_beta   100.956
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   263.253
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  1.000  1.0
  Cr  Cr2  1  0.204  0.835  0.408  1.0
  Cr  Cr3  1  0.796  0.165  0.592  1.0
  Cr  Cr4  1  0.842  0.528  0.684  1.0
  Cr  Cr5  1  0.158  0.472  0.316  1.0
  S  S6  1  0.329  0.012  0.658  1.0
  S  S7  1  0.671  0.988  0.342  1.0
  S  S8  1  0.737  0.655  0.475  1.0
  S  S9  1  0.263  0.345  0.525  1.0
  S  S10  1  0.415  0.674  0.831  1.0
  S  S11  1  0.584  0.326  0.169  1.0
  S  S12  1  0.077  0.648  0.154  1.0
  S  S13  1  0.923  0.352  0.846  1.0
[/CIF]
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The structure described by 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. is represented by the CIF file [CIF]
data_TlCr5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.484
_cell_length_b   8.704
_cell_length_c   9.164
_cell_angle_alpha   104.959
_cell_angle_beta   100.956
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   263.253
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  1.000  1.0
  Cr  Cr2  1  0.204  0.835  0.408  1.0
  Cr  Cr3  1  0.796  0.165  0.592  1.0
  Cr  Cr4  1  0.842  0.528  0.684  1.0
  Cr  Cr5  1  0.158  0.472  0.316  1.0
  S  S6  1  0.329  0.012  0.658  1.0
  S  S7  1  0.671  0.988  0.342  1.0
  S  S8  1  0.737  0.655  0.475  1.0
  S  S9  1  0.263  0.345  0.525  1.0
  S  S10  1  0.415  0.674  0.831  1.0
  S  S11  1  0.584  0.326  0.169  1.0
  S  S12  1  0.077  0.648  0.154  1.0
  S  S13  1  0.923  0.352  0.846  1.0
[/CIF]
.