The compound described by TlCu4Se3 is Hazelwoodite-derived structured and crystallizes in the orthorhombic Pnnm space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), two equivalent Cu(3), two equivalent Se(2), and two equivalent Se(3) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Cu(1), one Se(1), one Se(3), and two equivalent Se(2) atoms. In the third Cu site, Cu(3) is bonded to two equivalent Cu(1), one Se(1), one Se(2), and two equivalent Se(3) atoms to form distorted CuCu2Se4 tetrahedra that share  a cornercorner with one Cu(4)Se4 tetrahedra, edges with two equivalent Cu(3)Cu2Se4 tetrahedra, and edges with two equivalent Cu(4)Se4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Cu2Se4 tetrahedra, corners with two equivalent Cu(4)Se4 tetrahedra, and edges with two equivalent Cu(3)Cu2Se4 tetrahedra. Tl(1) is bonded in a 2-coordinate geometry to two equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(3), and two equivalent Cu(4) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to one Cu(3), one Cu(4), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Tl(1) atoms. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(4), two equivalent Cu(1), and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_TlCu4Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.945
_cell_length_b   12.543
_cell_length_c   12.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.656
_cell_formula_units_Z   4
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  0.395  0.372  1.0
  Tl  Tl1  1  0.000  0.605  0.628  1.0
  Tl  Tl2  1  0.500  0.105  0.872  1.0
  Tl  Tl3  1  0.500  0.895  0.128  1.0
  Cu  Cu4  1  0.000  0.097  0.460  1.0
  Cu  Cu5  1  0.000  0.903  0.540  1.0
  Cu  Cu6  1  0.500  0.403  0.960  1.0
  Cu  Cu7  1  0.500  0.597  0.040  1.0
  Cu  Cu8  1  0.000  0.086  0.270  1.0
  Cu  Cu9  1  0.000  0.914  0.730  1.0
  Cu  Cu10  1  0.500  0.414  0.770  1.0
  Cu  Cu11  1  0.500  0.586  0.230  1.0
  Cu  Cu12  1  0.000  0.315  0.079  1.0
  Cu  Cu13  1  0.000  0.685  0.921  1.0
  Cu  Cu14  1  0.500  0.185  0.579  1.0
  Cu  Cu15  1  0.500  0.815  0.421  1.0
  Cu  Cu16  1  0.000  0.305  0.674  1.0
  Cu  Cu17  1  0.000  0.695  0.326  1.0
  Cu  Cu18  1  0.500  0.195  0.174  1.0
  Cu  Cu19  1  0.500  0.805  0.826  1.0
  Se  Se20  1  0.000  0.120  0.089  1.0
  Se  Se21  1  0.000  0.880  0.911  1.0
  Se  Se22  1  0.500  0.380  0.589  1.0
  Se  Se23  1  0.500  0.620  0.411  1.0
  Se  Se24  1  0.000  0.679  0.132  1.0
  Se  Se25  1  0.000  0.321  0.868  1.0
  Se  Se26  1  0.500  0.821  0.632  1.0
  Se  Se27  1  0.500  0.179  0.368  1.0
  Se  Se28  1  0.000  0.093  0.644  1.0
  Se  Se29  1  0.000  0.907  0.356  1.0
  Se  Se30  1  0.500  0.407  0.144  1.0
  Se  Se31  1  0.500  0.593  0.856  1.0
[/CIF]
.
The compound described by TlCu4Se3 is Hazelwoodite-derived structured and crystallizes in the orthorhombic Pnnm space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), two equivalent Cu(3), two equivalent Se(2), and two equivalent Se(3) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Cu(1), one Se(1), one Se(3), and two equivalent Se(2) atoms. In the third Cu site, Cu(3) is bonded to two equivalent Cu(1), one Se(1), one Se(2), and two equivalent Se(3) atoms to form distorted CuCu2Se4 tetrahedra that share  a cornercorner with one Cu(4)Se4 tetrahedra, edges with two equivalent Cu(3)Cu2Se4 tetrahedra, and edges with two equivalent Cu(4)Se4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Cu2Se4 tetrahedra, corners with two equivalent Cu(4)Se4 tetrahedra, and edges with two equivalent Cu(3)Cu2Se4 tetrahedra. Tl(1) is bonded in a 2-coordinate geometry to two equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(3), and two equivalent Cu(4) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to one Cu(3), one Cu(4), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Tl(1) atoms. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(4), two equivalent Cu(1), and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_TlCu4Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.945
_cell_length_b   12.543
_cell_length_c   12.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.656
_cell_formula_units_Z   4
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  0.395  0.372  1.0
  Tl  Tl1  1  0.000  0.605  0.628  1.0
  Tl  Tl2  1  0.500  0.105  0.872  1.0
  Tl  Tl3  1  0.500  0.895  0.128  1.0
  Cu  Cu4  1  0.000  0.097  0.460  1.0
  Cu  Cu5  1  0.000  0.903  0.540  1.0
  Cu  Cu6  1  0.500  0.403  0.960  1.0
  Cu  Cu7  1  0.500  0.597  0.040  1.0
  Cu  Cu8  1  0.000  0.086  0.270  1.0
  Cu  Cu9  1  0.000  0.914  0.730  1.0
  Cu  Cu10  1  0.500  0.414  0.770  1.0
  Cu  Cu11  1  0.500  0.586  0.230  1.0
  Cu  Cu12  1  0.000  0.315  0.079  1.0
  Cu  Cu13  1  0.000  0.685  0.921  1.0
  Cu  Cu14  1  0.500  0.185  0.579  1.0
  Cu  Cu15  1  0.500  0.815  0.421  1.0
  Cu  Cu16  1  0.000  0.305  0.674  1.0
  Cu  Cu17  1  0.000  0.695  0.326  1.0
  Cu  Cu18  1  0.500  0.195  0.174  1.0
  Cu  Cu19  1  0.500  0.805  0.826  1.0
  Se  Se20  1  0.000  0.120  0.089  1.0
  Se  Se21  1  0.000  0.880  0.911  1.0
  Se  Se22  1  0.500  0.380  0.589  1.0
  Se  Se23  1  0.500  0.620  0.411  1.0
  Se  Se24  1  0.000  0.679  0.132  1.0
  Se  Se25  1  0.000  0.321  0.868  1.0
  Se  Se26  1  0.500  0.821  0.632  1.0
  Se  Se27  1  0.500  0.179  0.368  1.0
  Se  Se28  1  0.000  0.093  0.644  1.0
  Se  Se29  1  0.000  0.907  0.356  1.0
  Se  Se30  1  0.500  0.407  0.144  1.0
  Se  Se31  1  0.500  0.593  0.856  1.0
[/CIF]
.