The crystal structure described by CdIn2Se4 crystallizes in the tetragonal I-4 space group. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent In(2)Se4 tetrahedra. There are two inequivalent In sites. In the first In site, 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(2)Se4 tetrahedra. In the second In site, In(2) 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), one In(1), and one In(2) atom. is represented by the CIF card [CIF]
data_Cd(InSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.941
_cell_length_c   7.194
_cell_angle_alpha   114.390
_cell_angle_beta   114.390
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.146
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.250  0.750  0.500  1.0
  Se  Se3  1  0.864  0.899  0.272  1.0
  Se  Se4  1  0.627  0.136  0.728  1.0
  Se  Se5  1  0.101  0.592  0.728  1.0
  Se  Se6  1  0.408  0.373  0.272  1.0
[/CIF]
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The crystal structure described by CdIn2Se4 crystallizes in the tetragonal I-4 space group. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent In(2)Se4 tetrahedra. There are two inequivalent In sites. In the first In site, 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(2)Se4 tetrahedra. In the second In site, In(2) 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), one In(1), and one In(2) atom. is represented by the CIF card [CIF]
data_Cd(InSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.941
_cell_length_c   7.194
_cell_angle_alpha   114.390
_cell_angle_beta   114.390
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.146
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.250  0.750  0.500  1.0
  Se  Se3  1  0.864  0.899  0.272  1.0
  Se  Se4  1  0.627  0.136  0.728  1.0
  Se  Se5  1  0.101  0.592  0.728  1.0
  Se  Se6  1  0.408  0.373  0.272  1.0
[/CIF]
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