The material described by Ce2Cd(SeO)2 crystallizes in the tetragonal P4_2/nmc space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. In the second Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. In the third Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Cd(1) is bonded to four equivalent Se(1) atoms to form distorted corner-sharing CdSe4 tetrahedra. Se(1) is bonded in a 6-coordinate geometry to four equivalent Ce(1) and two equivalent Cd(1) atoms. O(1) is bonded to four Ce(1,1) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. is represented by the CIF file [CIF]
data_Ce2Cd(SeO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.993
_cell_length_b   3.993
_cell_length_c   18.860
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.689
_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
  Ce  Ce0  1  0.500  0.000  0.684  1.0
  Ce  Ce1  1  0.000  0.500  0.816  1.0
  Ce  Ce2  1  0.000  0.500  0.316  1.0
  Ce  Ce3  1  0.500  0.000  0.184  1.0
  Cd  Cd4  1  0.500  0.500  0.500  1.0
  Cd  Cd5  1  0.000  0.000  0.000  1.0
  Se  Se6  1  0.000  0.500  0.097  1.0
  Se  Se7  1  0.500  0.000  0.403  1.0
  Se  Se8  1  0.500  0.000  0.903  1.0
  Se  Se9  1  0.000  0.500  0.597  1.0
  O  O10  1  0.500  0.500  0.749  1.0
  O  O11  1  0.000  0.000  0.751  1.0
  O  O12  1  0.500  0.500  0.251  1.0
  O  O13  1  0.000  0.000  0.249  1.0
[/CIF]
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The material described by Ce2Cd(SeO)2 crystallizes in the tetragonal P4_2/nmc space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. In the second Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. In the third Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Cd(1) is bonded to four equivalent Se(1) atoms to form distorted corner-sharing CdSe4 tetrahedra. Se(1) is bonded in a 6-coordinate geometry to four equivalent Ce(1) and two equivalent Cd(1) atoms. O(1) is bonded to four Ce(1,1) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. is represented by the CIF file [CIF]
data_Ce2Cd(SeO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.993
_cell_length_b   3.993
_cell_length_c   18.860
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.689
_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
  Ce  Ce0  1  0.500  0.000  0.684  1.0
  Ce  Ce1  1  0.000  0.500  0.816  1.0
  Ce  Ce2  1  0.000  0.500  0.316  1.0
  Ce  Ce3  1  0.500  0.000  0.184  1.0
  Cd  Cd4  1  0.500  0.500  0.500  1.0
  Cd  Cd5  1  0.000  0.000  0.000  1.0
  Se  Se6  1  0.000  0.500  0.097  1.0
  Se  Se7  1  0.500  0.000  0.403  1.0
  Se  Se8  1  0.500  0.000  0.903  1.0
  Se  Se9  1  0.000  0.500  0.597  1.0
  O  O10  1  0.500  0.500  0.749  1.0
  O  O11  1  0.000  0.000  0.751  1.0
  O  O12  1  0.500  0.500  0.251  1.0
  O  O13  1  0.000  0.000  0.249  1.0
[/CIF]
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