The material described by Na2CdO3Cl4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), one Cl(1), and four equivalent Cl(2) atoms. In the second Na site, Na(2) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form NaCl6 octahedra that share edges with two equivalent Na(2)Cl6 octahedra, edges with two equivalent Cd(1)Cl6 octahedra, and edges with two equivalent Cd(2)Cl6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form CdCl6 octahedra that share edges with two equivalent Cd(2)Cl6 octahedra and edges with four equivalent Na(2)Cl6 octahedra. In the second Cd site, Cd(2) is bonded to two equivalent Cl(3) and four equivalent Cl(2) atoms to form CdCl6 octahedra that share edges with two equivalent Cd(1)Cl6 octahedra and edges with four equivalent Na(2)Cl6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and two equivalent O(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Na(1) and one O(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one Cd(1) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Cd(1), and one Cd(2) atom. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to two equivalent Na(2) and one Cd(2) atom. is represented by the CIF card [CIF]
data_Na2CdCl4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.174
_cell_length_b   8.174
_cell_length_c   8.972
_cell_angle_alpha   88.271
_cell_angle_beta   112.096
_cell_angle_gamma   56.359
_symmetry_Int_Tables_number   1
_cell_volume   439.724
_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
  Na  Na0  1  0.341  0.846  0.495  1.0
  Na  Na1  1  0.659  0.154  0.505  1.0
  Na  Na2  1  0.500  0.000  0.000  1.0
  Na  Na3  1  0.000  0.500  0.000  1.0
  Cd  Cd4  1  0.000  0.000  0.000  1.0
  Cd  Cd5  1  0.500  0.500  0.000  1.0
  Cl  Cl6  1  0.725  0.929  0.796  1.0
  Cl  Cl7  1  0.706  0.399  0.800  1.0
  Cl  Cl8  1  0.199  0.906  0.800  1.0
  Cl  Cl9  1  0.275  0.071  0.204  1.0
  Cl  Cl10  1  0.294  0.601  0.200  1.0
  Cl  Cl11  1  0.801  0.094  0.200  1.0
  Cl  Cl12  1  0.250  0.402  0.849  1.0
  Cl  Cl13  1  0.750  0.598  0.151  1.0
  O  O14  1  0.121  0.636  0.486  1.0
  O  O15  1  0.039  0.279  0.475  1.0
  O  O16  1  0.754  0.564  0.475  1.0
  O  O17  1  0.879  0.364  0.514  1.0
  O  O18  1  0.961  0.721  0.525  1.0
  O  O19  1  0.246  0.436  0.525  1.0
[/CIF]
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The material described by Na2CdO3Cl4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), one Cl(1), and four equivalent Cl(2) atoms. In the second Na site, Na(2) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form NaCl6 octahedra that share edges with two equivalent Na(2)Cl6 octahedra, edges with two equivalent Cd(1)Cl6 octahedra, and edges with two equivalent Cd(2)Cl6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form CdCl6 octahedra that share edges with two equivalent Cd(2)Cl6 octahedra and edges with four equivalent Na(2)Cl6 octahedra. In the second Cd site, Cd(2) is bonded to two equivalent Cl(3) and four equivalent Cl(2) atoms to form CdCl6 octahedra that share edges with two equivalent Cd(1)Cl6 octahedra and edges with four equivalent Na(2)Cl6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and two equivalent O(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Na(1) and one O(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one Cd(1) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Cd(1), and one Cd(2) atom. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to two equivalent Na(2) and one Cd(2) atom. is represented by the CIF card [CIF]
data_Na2CdCl4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.174
_cell_length_b   8.174
_cell_length_c   8.972
_cell_angle_alpha   88.271
_cell_angle_beta   112.096
_cell_angle_gamma   56.359
_symmetry_Int_Tables_number   1
_cell_volume   439.724
_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
  Na  Na0  1  0.341  0.846  0.495  1.0
  Na  Na1  1  0.659  0.154  0.505  1.0
  Na  Na2  1  0.500  0.000  0.000  1.0
  Na  Na3  1  0.000  0.500  0.000  1.0
  Cd  Cd4  1  0.000  0.000  0.000  1.0
  Cd  Cd5  1  0.500  0.500  0.000  1.0
  Cl  Cl6  1  0.725  0.929  0.796  1.0
  Cl  Cl7  1  0.706  0.399  0.800  1.0
  Cl  Cl8  1  0.199  0.906  0.800  1.0
  Cl  Cl9  1  0.275  0.071  0.204  1.0
  Cl  Cl10  1  0.294  0.601  0.200  1.0
  Cl  Cl11  1  0.801  0.094  0.200  1.0
  Cl  Cl12  1  0.250  0.402  0.849  1.0
  Cl  Cl13  1  0.750  0.598  0.151  1.0
  O  O14  1  0.121  0.636  0.486  1.0
  O  O15  1  0.039  0.279  0.475  1.0
  O  O16  1  0.754  0.564  0.475  1.0
  O  O17  1  0.879  0.364  0.514  1.0
  O  O18  1  0.961  0.721  0.525  1.0
  O  O19  1  0.246  0.436  0.525  1.0
[/CIF]
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