The material structure described by BaCd(OCl)4 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one Cl(1), one Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. Cd(1) is bonded to one Cl(3), one Cl(4), two equivalent Cl(1), and two equivalent Cl(2) atoms to form edge-sharing CdCl6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ba(1) and one O(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one O(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ba(1) and one O(4) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one O(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Cd(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Cd(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted water-like geometry to two equivalent Ba(1) and one Cd(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Cd(1) atom. is represented by the CIF card [CIF]
data_BaCd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.172
_cell_length_b   8.761
_cell_length_c   8.807
_cell_angle_alpha   104.030
_cell_angle_beta   102.803
_cell_angle_gamma   100.720
_symmetry_Int_Tables_number   1
_cell_volume   506.401
_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
  Ba  Ba0  1  0.759  0.239  0.239  1.0
  Ba  Ba1  1  0.241  0.761  0.761  1.0
  Cd  Cd2  1  0.255  0.428  0.077  1.0
  Cd  Cd3  1  0.745  0.572  0.923  1.0
  Cl  Cl4  1  0.859  0.300  0.936  1.0
  Cl  Cl5  1  0.141  0.700  0.064  1.0
  Cl  Cl6  1  0.650  0.553  0.198  1.0
  Cl  Cl7  1  0.350  0.447  0.802  1.0
  Cl  Cl8  1  0.185  0.448  0.362  1.0
  Cl  Cl9  1  0.815  0.552  0.638  1.0
  Cl  Cl10  1  0.318  0.131  0.036  1.0
  Cl  Cl11  1  0.682  0.869  0.964  1.0
  O  O12  1  0.925  0.134  0.582  1.0
  O  O13  1  0.075  0.866  0.418  1.0
  O  O14  1  0.085  0.962  0.337  1.0
  O  O15  1  0.915  0.038  0.663  1.0
  O  O16  1  0.481  0.207  0.495  1.0
  O  O17  1  0.519  0.793  0.505  1.0
  O  O18  1  0.538  0.853  0.395  1.0
  O  O19  1  0.462  0.147  0.605  1.0
[/CIF]
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The material structure described by BaCd(OCl)4 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one Cl(1), one Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. Cd(1) is bonded to one Cl(3), one Cl(4), two equivalent Cl(1), and two equivalent Cl(2) atoms to form edge-sharing CdCl6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ba(1) and one O(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one O(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ba(1) and one O(4) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one O(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Cd(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Cd(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted water-like geometry to two equivalent Ba(1) and one Cd(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Cd(1) atom. is represented by the CIF card [CIF]
data_BaCd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.172
_cell_length_b   8.761
_cell_length_c   8.807
_cell_angle_alpha   104.030
_cell_angle_beta   102.803
_cell_angle_gamma   100.720
_symmetry_Int_Tables_number   1
_cell_volume   506.401
_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
  Ba  Ba0  1  0.759  0.239  0.239  1.0
  Ba  Ba1  1  0.241  0.761  0.761  1.0
  Cd  Cd2  1  0.255  0.428  0.077  1.0
  Cd  Cd3  1  0.745  0.572  0.923  1.0
  Cl  Cl4  1  0.859  0.300  0.936  1.0
  Cl  Cl5  1  0.141  0.700  0.064  1.0
  Cl  Cl6  1  0.650  0.553  0.198  1.0
  Cl  Cl7  1  0.350  0.447  0.802  1.0
  Cl  Cl8  1  0.185  0.448  0.362  1.0
  Cl  Cl9  1  0.815  0.552  0.638  1.0
  Cl  Cl10  1  0.318  0.131  0.036  1.0
  Cl  Cl11  1  0.682  0.869  0.964  1.0
  O  O12  1  0.925  0.134  0.582  1.0
  O  O13  1  0.075  0.866  0.418  1.0
  O  O14  1  0.085  0.962  0.337  1.0
  O  O15  1  0.915  0.038  0.663  1.0
  O  O16  1  0.481  0.207  0.495  1.0
  O  O17  1  0.519  0.793  0.505  1.0
  O  O18  1  0.538  0.853  0.395  1.0
  O  O19  1  0.462  0.147  0.605  1.0
[/CIF]
.