The compound described by Fe(TlSe)2 is Matlockite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure consists of two 7439-89-6 atoms inside a TlSe framework. In the TlSe framework, Tl(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing TlSe4 tetrahedra. Se(1) is bonded in a 5-coordinate geometry to four equivalent Tl(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2FeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.218
_cell_length_b   5.218
_cell_length_c   6.937
_cell_angle_alpha   112.093
_cell_angle_beta   112.093
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.944
_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  0.250  0.750  0.500  1.0
  Tl  Tl1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.398  0.398  0.795  1.0
  Se  Se4  1  0.602  0.602  0.205  1.0
[/CIF]
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The compound described by Fe(TlSe)2 is Matlockite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure consists of two 7439-89-6 atoms inside a TlSe framework. In the TlSe framework, Tl(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing TlSe4 tetrahedra. Se(1) is bonded in a 5-coordinate geometry to four equivalent Tl(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2FeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.218
_cell_length_b   5.218
_cell_length_c   6.937
_cell_angle_alpha   112.093
_cell_angle_beta   112.093
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.944
_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  0.250  0.750  0.500  1.0
  Tl  Tl1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.398  0.398  0.795  1.0
  Se  Se4  1  0.602  0.602  0.205  1.0
[/CIF]
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