The material described by CdSeO4 crystallizes in the orthorhombic Pnma space group. Cd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 one O(1), one O(3), 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 47-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 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. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.041
_cell_length_b   7.335
_cell_length_c   9.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.331
_cell_formula_units_Z   4
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  0.500  0.000  1.0
  Cd  Cd2  1  0.500  0.000  0.500  1.0
  Cd  Cd3  1  0.500  0.500  0.500  1.0
  Se  Se4  1  0.995  0.750  0.682  1.0
  Se  Se5  1  0.505  0.750  0.182  1.0
  Se  Se6  1  0.495  0.250  0.818  1.0
  Se  Se7  1  0.005  0.250  0.318  1.0
  O  O8  1  0.973  0.750  0.857  1.0
  O  O9  1  0.857  0.941  0.629  1.0
  O  O10  1  0.857  0.559  0.629  1.0
  O  O11  1  0.809  0.250  0.871  1.0
  O  O12  1  0.691  0.250  0.371  1.0
  O  O13  1  0.643  0.941  0.129  1.0
  O  O14  1  0.643  0.559  0.129  1.0
  O  O15  1  0.527  0.750  0.357  1.0
  O  O16  1  0.473  0.250  0.643  1.0
  O  O17  1  0.357  0.441  0.871  1.0
  O  O18  1  0.357  0.059  0.871  1.0
  O  O19  1  0.309  0.750  0.629  1.0
  O  O20  1  0.191  0.750  0.129  1.0
  O  O21  1  0.143  0.441  0.371  1.0
  O  O22  1  0.143  0.059  0.371  1.0
  O  O23  1  0.027  0.250  0.143  1.0
[/CIF]
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The material described by CdSeO4 crystallizes in the orthorhombic Pnma space group. Cd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 one O(1), one O(3), 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 47-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 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. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.041
_cell_length_b   7.335
_cell_length_c   9.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.331
_cell_formula_units_Z   4
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  0.500  0.000  1.0
  Cd  Cd2  1  0.500  0.000  0.500  1.0
  Cd  Cd3  1  0.500  0.500  0.500  1.0
  Se  Se4  1  0.995  0.750  0.682  1.0
  Se  Se5  1  0.505  0.750  0.182  1.0
  Se  Se6  1  0.495  0.250  0.818  1.0
  Se  Se7  1  0.005  0.250  0.318  1.0
  O  O8  1  0.973  0.750  0.857  1.0
  O  O9  1  0.857  0.941  0.629  1.0
  O  O10  1  0.857  0.559  0.629  1.0
  O  O11  1  0.809  0.250  0.871  1.0
  O  O12  1  0.691  0.250  0.371  1.0
  O  O13  1  0.643  0.941  0.129  1.0
  O  O14  1  0.643  0.559  0.129  1.0
  O  O15  1  0.527  0.750  0.357  1.0
  O  O16  1  0.473  0.250  0.643  1.0
  O  O17  1  0.357  0.441  0.871  1.0
  O  O18  1  0.357  0.059  0.871  1.0
  O  O19  1  0.309  0.750  0.629  1.0
  O  O20  1  0.191  0.750  0.129  1.0
  O  O21  1  0.143  0.441  0.371  1.0
  O  O22  1  0.143  0.059  0.371  1.0
  O  O23  1  0.027  0.250  0.143  1.0
[/CIF]
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