The material structure described by Cd2SO6 crystallizes in the monoclinic C2/c space group. Cd(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted CdO6 pentagonal pyramids that share corners with two equivalent Cd(1)O6 pentagonal pyramids, corners with three equivalent S(1)O4 tetrahedra, and edges with three equivalent Cd(1)O6 pentagonal pyramids. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with six equivalent Cd(1)O6 pentagonal pyramids. 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 trigonal non-coplanar geometry to three equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.722
_cell_length_b   7.028
_cell_length_c   7.028
_cell_angle_alpha   69.168
_cell_angle_beta   66.330
_cell_angle_gamma   66.330
_symmetry_Int_Tables_number   1
_cell_volume   270.871
_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  0.812  0.339  0.153  1.0
  Cd  Cd1  1  0.688  0.847  0.661  1.0
  Cd  Cd2  1  0.188  0.661  0.847  1.0
  Cd  Cd3  1  0.312  0.153  0.339  1.0
  S  S4  1  0.750  0.310  0.690  1.0
  S  S5  1  0.250  0.690  0.310  1.0
  O  O6  1  0.592  0.533  0.694  1.0
  O  O7  1  0.908  0.306  0.467  1.0
  O  O8  1  0.408  0.467  0.306  1.0
  O  O9  1  0.092  0.694  0.533  1.0
  O  O10  1  0.889  0.247  0.834  1.0
  O  O11  1  0.611  0.166  0.753  1.0
  O  O12  1  0.111  0.753  0.166  1.0
  O  O13  1  0.389  0.834  0.247  1.0
  O  O14  1  0.684  0.055  0.333  1.0
  O  O15  1  0.816  0.667  0.945  1.0
  O  O16  1  0.316  0.945  0.667  1.0
  O  O17  1  0.184  0.333  0.055  1.0
[/CIF]
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The material structure described by Cd2SO6 crystallizes in the monoclinic C2/c space group. Cd(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted CdO6 pentagonal pyramids that share corners with two equivalent Cd(1)O6 pentagonal pyramids, corners with three equivalent S(1)O4 tetrahedra, and edges with three equivalent Cd(1)O6 pentagonal pyramids. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with six equivalent Cd(1)O6 pentagonal pyramids. 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 trigonal non-coplanar geometry to three equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.722
_cell_length_b   7.028
_cell_length_c   7.028
_cell_angle_alpha   69.168
_cell_angle_beta   66.330
_cell_angle_gamma   66.330
_symmetry_Int_Tables_number   1
_cell_volume   270.871
_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  0.812  0.339  0.153  1.0
  Cd  Cd1  1  0.688  0.847  0.661  1.0
  Cd  Cd2  1  0.188  0.661  0.847  1.0
  Cd  Cd3  1  0.312  0.153  0.339  1.0
  S  S4  1  0.750  0.310  0.690  1.0
  S  S5  1  0.250  0.690  0.310  1.0
  O  O6  1  0.592  0.533  0.694  1.0
  O  O7  1  0.908  0.306  0.467  1.0
  O  O8  1  0.408  0.467  0.306  1.0
  O  O9  1  0.092  0.694  0.533  1.0
  O  O10  1  0.889  0.247  0.834  1.0
  O  O11  1  0.611  0.166  0.753  1.0
  O  O12  1  0.111  0.753  0.166  1.0
  O  O13  1  0.389  0.834  0.247  1.0
  O  O14  1  0.684  0.055  0.333  1.0
  O  O15  1  0.816  0.667  0.945  1.0
  O  O16  1  0.316  0.945  0.667  1.0
  O  O17  1  0.184  0.333  0.055  1.0
[/CIF]
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