The structure described by Cd3(OCl)2 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to three equivalent O(1) and two equivalent Cl(1) atoms. In the second Cd site, Cd(2) is bonded to two equivalent O(1) and four equivalent Cl(1) atoms to form distorted corner-sharing CdCl4O2 octahedra. The corner-sharing octahedral tilt angles are 65°. O(1) is bonded to one Cd(2) and three equivalent Cd(1) atoms to form a mixture of corner and edge-sharing OCd4 tetrahedra. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Cd(1) and two equivalent Cd(2) atoms. is represented by the CIF card [CIF]
data_Cd3(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.430
_cell_length_b   6.699
_cell_length_c   6.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.841
_symmetry_Int_Tables_number   1
_cell_volume   261.741
_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  0.588  0.229  0.873  1.0
  Cd  Cd1  1  0.412  0.271  0.373  1.0
  Cd  Cd2  1  0.412  0.771  0.127  1.0
  Cd  Cd3  1  0.588  0.729  0.627  1.0
  Cd  Cd4  1  0.000  0.500  0.500  1.0
  Cd  Cd5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.192  0.933  0.636  1.0
  Cl  Cl7  1  0.808  0.567  0.136  1.0
  Cl  Cl8  1  0.192  0.433  0.864  1.0
  Cl  Cl9  1  0.808  0.067  0.364  1.0
  O  O10  1  0.667  0.437  0.614  1.0
  O  O11  1  0.333  0.063  0.114  1.0
  O  O12  1  0.333  0.563  0.386  1.0
  O  O13  1  0.667  0.937  0.886  1.0
[/CIF]
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The structure described by Cd3(OCl)2 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to three equivalent O(1) and two equivalent Cl(1) atoms. In the second Cd site, Cd(2) is bonded to two equivalent O(1) and four equivalent Cl(1) atoms to form distorted corner-sharing CdCl4O2 octahedra. The corner-sharing octahedral tilt angles are 65°. O(1) is bonded to one Cd(2) and three equivalent Cd(1) atoms to form a mixture of corner and edge-sharing OCd4 tetrahedra. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Cd(1) and two equivalent Cd(2) atoms. is represented by the CIF card [CIF]
data_Cd3(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.430
_cell_length_b   6.699
_cell_length_c   6.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.841
_symmetry_Int_Tables_number   1
_cell_volume   261.741
_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  0.588  0.229  0.873  1.0
  Cd  Cd1  1  0.412  0.271  0.373  1.0
  Cd  Cd2  1  0.412  0.771  0.127  1.0
  Cd  Cd3  1  0.588  0.729  0.627  1.0
  Cd  Cd4  1  0.000  0.500  0.500  1.0
  Cd  Cd5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.192  0.933  0.636  1.0
  Cl  Cl7  1  0.808  0.567  0.136  1.0
  Cl  Cl8  1  0.192  0.433  0.864  1.0
  Cl  Cl9  1  0.808  0.067  0.364  1.0
  O  O10  1  0.667  0.437  0.614  1.0
  O  O11  1  0.333  0.063  0.114  1.0
  O  O12  1  0.333  0.563  0.386  1.0
  O  O13  1  0.667  0.937  0.886  1.0
[/CIF]
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