The material structure described by CdSeO4 crystallizes in the orthorhombic Cmcm space group. Cd(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra and edges with two equivalent Cd(1)O6 octahedra. Se(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SeO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_CdSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   5.083
_cell_length_c   7.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   67.526
_symmetry_Int_Tables_number   1
_cell_volume   172.876
_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
  Cd  Cd0  1  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.000  0.000  0.500  1.0
  Se  Se2  1  0.362  0.362  0.250  1.0
  Se  Se3  1  0.638  0.638  0.750  1.0
  O  O4  1  0.237  0.718  0.250  1.0
  O  O5  1  0.282  0.763  0.750  1.0
  O  O6  1  0.261  0.261  0.057  1.0
  O  O7  1  0.261  0.261  0.443  1.0
  O  O8  1  0.739  0.739  0.557  1.0
  O  O9  1  0.739  0.739  0.943  1.0
  O  O10  1  0.718  0.237  0.250  1.0
  O  O11  1  0.763  0.282  0.750  1.0
[/CIF]
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The material structure described by CdSeO4 crystallizes in the orthorhombic Cmcm space group. Cd(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra and edges with two equivalent Cd(1)O6 octahedra. Se(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SeO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_CdSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   5.083
_cell_length_c   7.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   67.526
_symmetry_Int_Tables_number   1
_cell_volume   172.876
_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
  Cd  Cd0  1  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.000  0.000  0.500  1.0
  Se  Se2  1  0.362  0.362  0.250  1.0
  Se  Se3  1  0.638  0.638  0.750  1.0
  O  O4  1  0.237  0.718  0.250  1.0
  O  O5  1  0.282  0.763  0.750  1.0
  O  O6  1  0.261  0.261  0.057  1.0
  O  O7  1  0.261  0.261  0.443  1.0
  O  O8  1  0.739  0.739  0.557  1.0
  O  O9  1  0.739  0.739  0.943  1.0
  O  O10  1  0.718  0.237  0.250  1.0
  O  O11  1  0.763  0.282  0.750  1.0
[/CIF]
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