The material described by CdSO5 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form CdO6 octahedra that share corners with two equivalent Cd(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with four equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the second O site, O(2) is bonded in a 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. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.709
_cell_length_b   7.702
_cell_length_c   8.249
_cell_angle_alpha   57.733
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   414.126
_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  0.243  0.774  0.466  1.0
  Cd  Cd1  1  0.743  0.226  0.034  1.0
  Cd  Cd2  1  0.757  0.226  0.534  1.0
  Cd  Cd3  1  0.257  0.774  0.966  1.0
  S  S4  1  0.885  0.745  0.738  1.0
  S  S5  1  0.385  0.255  0.762  1.0
  S  S6  1  0.115  0.255  0.262  1.0
  S  S7  1  0.615  0.745  0.238  1.0
  O  O8  1  0.005  0.864  0.785  1.0
  O  O9  1  0.505  0.136  0.715  1.0
  O  O10  1  0.995  0.136  0.215  1.0
  O  O11  1  0.495  0.864  0.285  1.0
  O  O12  1  0.742  0.887  0.620  1.0
  O  O13  1  0.242  0.113  0.880  1.0
  O  O14  1  0.258  0.113  0.380  1.0
  O  O15  1  0.758  0.887  0.120  1.0
  O  O16  1  0.980  0.671  0.628  1.0
  O  O17  1  0.480  0.329  0.872  1.0
  O  O18  1  0.020  0.329  0.372  1.0
  O  O19  1  0.520  0.671  0.128  1.0
  O  O20  1  0.813  0.566  0.914  1.0
  O  O21  1  0.313  0.434  0.586  1.0
  O  O22  1  0.187  0.434  0.086  1.0
  O  O23  1  0.687  0.566  0.414  1.0
  O  O24  1  0.372  0.732  0.734  1.0
  O  O25  1  0.872  0.268  0.766  1.0
  O  O26  1  0.628  0.268  0.266  1.0
  O  O27  1  0.128  0.732  0.234  1.0
[/CIF]
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The material described by CdSO5 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form CdO6 octahedra that share corners with two equivalent Cd(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with four equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the second O site, O(2) is bonded in a 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. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.709
_cell_length_b   7.702
_cell_length_c   8.249
_cell_angle_alpha   57.733
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   414.126
_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  0.243  0.774  0.466  1.0
  Cd  Cd1  1  0.743  0.226  0.034  1.0
  Cd  Cd2  1  0.757  0.226  0.534  1.0
  Cd  Cd3  1  0.257  0.774  0.966  1.0
  S  S4  1  0.885  0.745  0.738  1.0
  S  S5  1  0.385  0.255  0.762  1.0
  S  S6  1  0.115  0.255  0.262  1.0
  S  S7  1  0.615  0.745  0.238  1.0
  O  O8  1  0.005  0.864  0.785  1.0
  O  O9  1  0.505  0.136  0.715  1.0
  O  O10  1  0.995  0.136  0.215  1.0
  O  O11  1  0.495  0.864  0.285  1.0
  O  O12  1  0.742  0.887  0.620  1.0
  O  O13  1  0.242  0.113  0.880  1.0
  O  O14  1  0.258  0.113  0.380  1.0
  O  O15  1  0.758  0.887  0.120  1.0
  O  O16  1  0.980  0.671  0.628  1.0
  O  O17  1  0.480  0.329  0.872  1.0
  O  O18  1  0.020  0.329  0.372  1.0
  O  O19  1  0.520  0.671  0.128  1.0
  O  O20  1  0.813  0.566  0.914  1.0
  O  O21  1  0.313  0.434  0.586  1.0
  O  O22  1  0.187  0.434  0.086  1.0
  O  O23  1  0.687  0.566  0.414  1.0
  O  O24  1  0.372  0.732  0.734  1.0
  O  O25  1  0.872  0.268  0.766  1.0
  O  O26  1  0.628  0.268  0.266  1.0
  O  O27  1  0.128  0.732  0.234  1.0
[/CIF]
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