The material described by TlCu7S4 crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a Cu7S4 framework. In the Cu7S4 framework, there are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(4) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal non-coplanar geometry to one S(4) and two equivalent S(2) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal non-coplanar geometry to one S(3) and two equivalent S(1) atoms. In the fifth Cu site, Cu(5) is bonded in a 2-coordinate geometry to one S(2), one S(4), and two equivalent S(1) atoms. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(4) atom. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one S(1), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(7), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(5), one Cu(6), and two equivalent Cu(3) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cu(4), one Cu(6), one Cu(7), and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Cu(3), one Cu(5), one Cu(6), one Cu(7), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_TlCu7S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.839
_cell_length_b   7.428
_cell_length_c   7.447
_cell_angle_alpha   86.285
_cell_angle_beta   104.817
_cell_angle_gamma   104.784
_symmetry_Int_Tables_number   1
_cell_volume   198.500
_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  0.248  0.507  0.500  1.0
  Cu  Cu1  1  0.617  0.839  0.885  1.0
  Cu  Cu2  1  0.906  0.157  0.112  1.0
  Cu  Cu3  1  0.236  0.880  0.155  1.0
  Cu  Cu4  1  0.200  0.108  0.852  1.0
  Cu  Cu5  1  0.573  0.432  0.023  1.0
  Cu  Cu6  1  0.849  0.937  0.407  1.0
  Cu  Cu7  1  0.509  0.067  0.602  1.0
  S  S8  1  0.797  0.306  0.827  1.0
  S  S9  1  0.661  0.698  0.164  1.0
  S  S10  1  0.022  0.824  0.695  1.0
  S  S11  1  0.508  0.168  0.304  1.0
[/CIF]
.
The material described by TlCu7S4 crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a Cu7S4 framework. In the Cu7S4 framework, there are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(4) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal non-coplanar geometry to one S(4) and two equivalent S(2) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal non-coplanar geometry to one S(3) and two equivalent S(1) atoms. In the fifth Cu site, Cu(5) is bonded in a 2-coordinate geometry to one S(2), one S(4), and two equivalent S(1) atoms. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(4) atom. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one S(1), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(7), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(5), one Cu(6), and two equivalent Cu(3) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cu(4), one Cu(6), one Cu(7), and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Cu(3), one Cu(5), one Cu(6), one Cu(7), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_TlCu7S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.839
_cell_length_b   7.428
_cell_length_c   7.447
_cell_angle_alpha   86.285
_cell_angle_beta   104.817
_cell_angle_gamma   104.784
_symmetry_Int_Tables_number   1
_cell_volume   198.500
_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  0.248  0.507  0.500  1.0
  Cu  Cu1  1  0.617  0.839  0.885  1.0
  Cu  Cu2  1  0.906  0.157  0.112  1.0
  Cu  Cu3  1  0.236  0.880  0.155  1.0
  Cu  Cu4  1  0.200  0.108  0.852  1.0
  Cu  Cu5  1  0.573  0.432  0.023  1.0
  Cu  Cu6  1  0.849  0.937  0.407  1.0
  Cu  Cu7  1  0.509  0.067  0.602  1.0
  S  S8  1  0.797  0.306  0.827  1.0
  S  S9  1  0.661  0.698  0.164  1.0
  S  S10  1  0.022  0.824  0.695  1.0
  S  S11  1  0.508  0.168  0.304  1.0
[/CIF]
.