The material structure described by CdIn2Se4 crystallizes in the tetragonal I-42m space group. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with eight equivalent In(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Cd(1) and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd(InSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.839
_cell_length_b   5.839
_cell_length_c   7.279
_cell_angle_alpha   113.648
_cell_angle_beta   113.648
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.390
_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
  Cd  Cd0  1  0.500  0.500  0.000  1.0
  In  In1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.750  0.250  0.500  1.0
  Se  Se3  1  0.343  0.343  0.235  1.0
  Se  Se4  1  0.657  0.109  0.765  1.0
  Se  Se5  1  0.891  0.891  0.235  1.0
  Se  Se6  1  0.109  0.657  0.765  1.0
[/CIF]
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The material structure described by CdIn2Se4 crystallizes in the tetragonal I-42m space group. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with eight equivalent In(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Cd(1) and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd(InSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.839
_cell_length_b   5.839
_cell_length_c   7.279
_cell_angle_alpha   113.648
_cell_angle_beta   113.648
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.390
_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
  Cd  Cd0  1  0.500  0.500  0.000  1.0
  In  In1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.750  0.250  0.500  1.0
  Se  Se3  1  0.343  0.343  0.235  1.0
  Se  Se4  1  0.657  0.109  0.765  1.0
  Se  Se5  1  0.891  0.891  0.235  1.0
  Se  Se6  1  0.109  0.657  0.765  1.0
[/CIF]
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