The compound described by Cd(O2Br)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(7) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(8), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Br(3), and one Br(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cd(1) and one Br(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cd(2) and one Br(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(4) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(2) and one Br(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Cd(1) and one Br(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cd(2), one Br(2), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one O(3) and one O(7) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one O(8) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth Br site, Br(4) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(8) atom. is represented by the CIF file [CIF]
data_Cd(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.905
_cell_length_b   6.628
_cell_length_c   10.473
_cell_angle_alpha   81.231
_cell_angle_beta   85.775
_cell_angle_gamma   89.243
_symmetry_Int_Tables_number   1
_cell_volume   267.194
_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  0.413  0.548  0.485  1.0
  Cd  Cd1  1  0.851  0.940  0.931  1.0
  Br  Br2  1  0.994  0.556  0.199  1.0
  Br  Br3  1  0.879  0.448  0.712  1.0
  Br  Br4  1  0.687  0.128  0.331  1.0
  Br  Br5  1  0.401  0.972  0.664  1.0
  O  O6  1  0.416  0.217  0.460  1.0
  O  O7  1  0.635  0.783  0.587  1.0
  O  O8  1  0.132  0.784  0.099  1.0
  O  O9  1  0.193  0.232  0.035  1.0
  O  O10  1  0.515  0.227  0.027  1.0
  O  O11  1  0.389  0.852  0.835  1.0
  O  O12  1  0.946  0.616  0.361  1.0
  O  O13  1  0.048  0.197  0.773  1.0
[/CIF]
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The compound described by Cd(O2Br)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(7) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(8), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Br(3), and one Br(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cd(1) and one Br(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cd(2) and one Br(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(4) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(2) and one Br(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Cd(1) and one Br(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cd(2), one Br(2), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one O(3) and one O(7) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one O(8) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth Br site, Br(4) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(8) atom. is represented by the CIF file [CIF]
data_Cd(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.905
_cell_length_b   6.628
_cell_length_c   10.473
_cell_angle_alpha   81.231
_cell_angle_beta   85.775
_cell_angle_gamma   89.243
_symmetry_Int_Tables_number   1
_cell_volume   267.194
_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  0.413  0.548  0.485  1.0
  Cd  Cd1  1  0.851  0.940  0.931  1.0
  Br  Br2  1  0.994  0.556  0.199  1.0
  Br  Br3  1  0.879  0.448  0.712  1.0
  Br  Br4  1  0.687  0.128  0.331  1.0
  Br  Br5  1  0.401  0.972  0.664  1.0
  O  O6  1  0.416  0.217  0.460  1.0
  O  O7  1  0.635  0.783  0.587  1.0
  O  O8  1  0.132  0.784  0.099  1.0
  O  O9  1  0.193  0.232  0.035  1.0
  O  O10  1  0.515  0.227  0.027  1.0
  O  O11  1  0.389  0.852  0.835  1.0
  O  O12  1  0.946  0.616  0.361  1.0
  O  O13  1  0.048  0.197  0.773  1.0
[/CIF]
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