The crystal structure described by KTlSe2 crystallizes in the tetragonal I4/mcm space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Tl(1) is bonded to four equivalent Se(1) atoms to form edge-sharing TlSe4 tetrahedra. Se(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_KTlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   6.769
_cell_length_c   6.769
_cell_angle_alpha   106.118
_cell_angle_beta   106.118
_cell_angle_gamma   116.410
_symmetry_Int_Tables_number   1
_cell_volume   236.055
_cell_formula_units_Z   2
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
  K  K0  1  0.750  0.750  0.000  1.0
  K  K1  1  0.250  0.250  1.000  1.0
  Tl  Tl2  1  0.750  0.250  0.500  1.0
  Tl  Tl3  1  0.250  0.750  0.500  1.0
  Se  Se4  1  0.824  0.324  0.147  1.0
  Se  Se5  1  0.176  0.676  0.853  1.0
  Se  Se6  1  0.676  0.824  0.500  1.0
  Se  Se7  1  0.324  0.176  0.500  1.0
[/CIF]
.
The crystal structure described by KTlSe2 crystallizes in the tetragonal I4/mcm space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Tl(1) is bonded to four equivalent Se(1) atoms to form edge-sharing TlSe4 tetrahedra. Se(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_KTlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   6.769
_cell_length_c   6.769
_cell_angle_alpha   106.118
_cell_angle_beta   106.118
_cell_angle_gamma   116.410
_symmetry_Int_Tables_number   1
_cell_volume   236.055
_cell_formula_units_Z   2
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
  K  K0  1  0.750  0.750  0.000  1.0
  K  K1  1  0.250  0.250  1.000  1.0
  Tl  Tl2  1  0.750  0.250  0.500  1.0
  Tl  Tl3  1  0.250  0.750  0.500  1.0
  Se  Se4  1  0.824  0.324  0.147  1.0
  Se  Se5  1  0.176  0.676  0.853  1.0
  Se  Se6  1  0.676  0.824  0.500  1.0
  Se  Se7  1  0.324  0.176  0.500  1.0
[/CIF]
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