The material structure described by CeTl2InSe4 crystallizes in the tetragonal I-42m space group. The structure consists of a CeTl2InSe4 framework. Ce(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. Tl(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. In(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 2-coordinate geometry to one Ce(1), two equivalent Tl(1), and one In(1) atom. is represented by the CIF card [CIF]
data_CeTl2InSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.708
_cell_length_b   6.708
_cell_length_c   6.708
_cell_angle_alpha   66.242
_cell_angle_beta   72.629
_cell_angle_gamma   107.371
_symmetry_Int_Tables_number   1
_cell_volume   231.361
_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
  Ce  Ce0  1  0.500  0.250  0.250  1.0
  Tl  Tl1  1  0.000  0.250  0.750  1.0
  Tl  Tl2  1  0.000  0.750  0.250  1.0
  In  In3  1  0.500  0.750  0.750  1.0
  Se  Se4  1  0.500  0.346  0.786  1.0
  Se  Se5  1  0.500  0.714  0.154  1.0
  Se  Se6  1  0.132  0.786  0.714  1.0
  Se  Se7  1  0.868  0.154  0.346  1.0
[/CIF]
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The material structure described by CeTl2InSe4 crystallizes in the tetragonal I-42m space group. The structure consists of a CeTl2InSe4 framework. Ce(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. Tl(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. In(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 2-coordinate geometry to one Ce(1), two equivalent Tl(1), and one In(1) atom. is represented by the CIF card [CIF]
data_CeTl2InSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.708
_cell_length_b   6.708
_cell_length_c   6.708
_cell_angle_alpha   66.242
_cell_angle_beta   72.629
_cell_angle_gamma   107.371
_symmetry_Int_Tables_number   1
_cell_volume   231.361
_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
  Ce  Ce0  1  0.500  0.250  0.250  1.0
  Tl  Tl1  1  0.000  0.250  0.750  1.0
  Tl  Tl2  1  0.000  0.750  0.250  1.0
  In  In3  1  0.500  0.750  0.750  1.0
  Se  Se4  1  0.500  0.346  0.786  1.0
  Se  Se5  1  0.500  0.714  0.154  1.0
  Se  Se6  1  0.132  0.786  0.714  1.0
  Se  Se7  1  0.868  0.154  0.346  1.0
[/CIF]
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