The material structure described by CuTl2Se2 is Indium-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one CuTl2Se2 cluster. Cu(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Tl(1) is bonded in a single-bond geometry to one Se(1) atom. Se(1) is bonded in a linear geometry to one Cu(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_Tl2CuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.393
_cell_length_b   4.393
_cell_length_c   14.374
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.341
_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  0.500  0.500  0.662  1.0
  Tl  Tl1  1  0.500  0.500  0.338  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.500  0.500  0.155  1.0
  Se  Se4  1  0.500  0.500  0.845  1.0
[/CIF]
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The material structure described by CuTl2Se2 is Indium-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one CuTl2Se2 cluster. Cu(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Tl(1) is bonded in a single-bond geometry to one Se(1) atom. Se(1) is bonded in a linear geometry to one Cu(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_Tl2CuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.393
_cell_length_b   4.393
_cell_length_c   14.374
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.341
_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  0.500  0.500  0.662  1.0
  Tl  Tl1  1  0.500  0.500  0.338  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.500  0.500  0.155  1.0
  Se  Se4  1  0.500  0.500  0.845  1.0
[/CIF]
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