The structure described by CdSO4 crystallizes in the monoclinic Cm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form CdO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra and corners with three equivalent S(2)O4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 1-coordinate geometry to one O(1) and one O(5) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(5), and two equivalent O(6) atoms to form SO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second S site, S(2) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cd(2) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Cd(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cd(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one S(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cd(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.729
_cell_length_b   5.736
_cell_length_c   6.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.144
_cell_angle_gamma   120.037
_symmetry_Int_Tables_number   1
_cell_volume   181.731
_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  0.001  0.001  0.515  1.0
  Cd  Cd1  1  0.337  0.668  0.329  1.0
  S  S2  1  0.331  0.665  0.767  1.0
  S  S3  1  0.668  0.334  0.214  1.0
  O  O4  1  0.341  0.670  0.995  1.0
  O  O5  1  0.666  0.333  0.990  1.0
  O  O6  1  0.383  0.192  0.303  1.0
  O  O7  1  0.810  0.192  0.302  1.0
  O  O8  1  0.810  0.618  0.302  1.0
  O  O9  1  0.606  0.803  0.673  1.0
  O  O10  1  0.190  0.803  0.683  1.0
  O  O11  1  0.190  0.387  0.683  1.0
[/CIF]
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The structure described by CdSO4 crystallizes in the monoclinic Cm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form CdO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra and corners with three equivalent S(2)O4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 1-coordinate geometry to one O(1) and one O(5) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(5), and two equivalent O(6) atoms to form SO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second S site, S(2) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cd(2) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Cd(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cd(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one S(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cd(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.729
_cell_length_b   5.736
_cell_length_c   6.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.144
_cell_angle_gamma   120.037
_symmetry_Int_Tables_number   1
_cell_volume   181.731
_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  0.001  0.001  0.515  1.0
  Cd  Cd1  1  0.337  0.668  0.329  1.0
  S  S2  1  0.331  0.665  0.767  1.0
  S  S3  1  0.668  0.334  0.214  1.0
  O  O4  1  0.341  0.670  0.995  1.0
  O  O5  1  0.666  0.333  0.990  1.0
  O  O6  1  0.383  0.192  0.303  1.0
  O  O7  1  0.810  0.192  0.302  1.0
  O  O8  1  0.810  0.618  0.302  1.0
  O  O9  1  0.606  0.803  0.673  1.0
  O  O10  1  0.190  0.803  0.683  1.0
  O  O11  1  0.190  0.387  0.683  1.0
[/CIF]
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