The crystal structure described by CdSO4 crystallizes in the orthorhombic Pmn2_1 space group. Cd(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. is represented by the CIF card [CIF]
data_CdSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.704
_cell_length_b   4.738
_cell_length_c   6.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.793
_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  0.860  0.751  0.500  1.0
  Cd  Cd1  1  0.140  0.251  0.000  1.0
  S  S2  1  0.335  0.231  0.500  1.0
  S  S3  1  0.665  0.731  0.000  1.0
  O  O4  1  0.806  0.601  0.821  1.0
  O  O5  1  0.194  0.101  0.679  1.0
  O  O6  1  0.194  0.101  0.321  1.0
  O  O7  1  0.806  0.601  0.179  1.0
  O  O8  1  0.359  0.672  0.000  1.0
  O  O9  1  0.641  0.172  0.500  1.0
  O  O10  1  0.699  0.040  0.000  1.0
  O  O11  1  0.301  0.540  0.500  1.0
[/CIF]
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The crystal structure described by CdSO4 crystallizes in the orthorhombic Pmn2_1 space group. Cd(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. is represented by the CIF card [CIF]
data_CdSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.704
_cell_length_b   4.738
_cell_length_c   6.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.793
_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  0.860  0.751  0.500  1.0
  Cd  Cd1  1  0.140  0.251  0.000  1.0
  S  S2  1  0.335  0.231  0.500  1.0
  S  S3  1  0.665  0.731  0.000  1.0
  O  O4  1  0.806  0.601  0.821  1.0
  O  O5  1  0.194  0.101  0.679  1.0
  O  O6  1  0.194  0.101  0.321  1.0
  O  O7  1  0.806  0.601  0.179  1.0
  O  O8  1  0.359  0.672  0.000  1.0
  O  O9  1  0.641  0.172  0.500  1.0
  O  O10  1  0.699  0.040  0.000  1.0
  O  O11  1  0.301  0.540  0.500  1.0
[/CIF]
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