The material described by KCdCl3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one Cl(1), three equivalent Cl(2), and four equivalent Cl(3) atoms. Cd(1) is bonded to one Cl(3), two equivalent Cl(2), and three equivalent Cl(1) atoms to form edge-sharing CdCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Cd(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Cd(1) atoms. In the third Cl site, Cl(3) is bonded to four equivalent K(1) and one Cd(1) atom to form a mixture of distorted edge and corner-sharing ClK4Cd square pyramids. is represented by the CIF file [CIF]
data_KCdCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.014
_cell_length_b   8.851
_cell_length_c   14.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.022
_cell_formula_units_Z   4
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
  K  K0  1  0.250  0.928  0.678  1.0
  K  K1  1  0.750  0.072  0.322  1.0
  K  K2  1  0.250  0.428  0.822  1.0
  K  K3  1  0.750  0.572  0.178  1.0
  Cd  Cd4  1  0.750  0.328  0.555  1.0
  Cd  Cd5  1  0.250  0.672  0.445  1.0
  Cd  Cd6  1  0.750  0.828  0.945  1.0
  Cd  Cd7  1  0.250  0.172  0.055  1.0
  Cl  Cl8  1  0.750  0.479  0.397  1.0
  Cl  Cl9  1  0.250  0.521  0.603  1.0
  Cl  Cl10  1  0.750  0.979  0.103  1.0
  Cl  Cl11  1  0.250  0.021  0.897  1.0
  Cl  Cl12  1  0.250  0.164  0.489  1.0
  Cl  Cl13  1  0.750  0.836  0.511  1.0
  Cl  Cl14  1  0.250  0.664  0.011  1.0
  Cl  Cl15  1  0.750  0.336  0.989  1.0
  Cl  Cl16  1  0.250  0.292  0.211  1.0
  Cl  Cl17  1  0.750  0.708  0.789  1.0
  Cl  Cl18  1  0.250  0.792  0.289  1.0
  Cl  Cl19  1  0.750  0.208  0.711  1.0
[/CIF]
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The material described by KCdCl3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one Cl(1), three equivalent Cl(2), and four equivalent Cl(3) atoms. Cd(1) is bonded to one Cl(3), two equivalent Cl(2), and three equivalent Cl(1) atoms to form edge-sharing CdCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Cd(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Cd(1) atoms. In the third Cl site, Cl(3) is bonded to four equivalent K(1) and one Cd(1) atom to form a mixture of distorted edge and corner-sharing ClK4Cd square pyramids. is represented by the CIF file [CIF]
data_KCdCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.014
_cell_length_b   8.851
_cell_length_c   14.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.022
_cell_formula_units_Z   4
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
  K  K0  1  0.250  0.928  0.678  1.0
  K  K1  1  0.750  0.072  0.322  1.0
  K  K2  1  0.250  0.428  0.822  1.0
  K  K3  1  0.750  0.572  0.178  1.0
  Cd  Cd4  1  0.750  0.328  0.555  1.0
  Cd  Cd5  1  0.250  0.672  0.445  1.0
  Cd  Cd6  1  0.750  0.828  0.945  1.0
  Cd  Cd7  1  0.250  0.172  0.055  1.0
  Cl  Cl8  1  0.750  0.479  0.397  1.0
  Cl  Cl9  1  0.250  0.521  0.603  1.0
  Cl  Cl10  1  0.750  0.979  0.103  1.0
  Cl  Cl11  1  0.250  0.021  0.897  1.0
  Cl  Cl12  1  0.250  0.164  0.489  1.0
  Cl  Cl13  1  0.750  0.836  0.511  1.0
  Cl  Cl14  1  0.250  0.664  0.011  1.0
  Cl  Cl15  1  0.750  0.336  0.989  1.0
  Cl  Cl16  1  0.250  0.292  0.211  1.0
  Cl  Cl17  1  0.750  0.708  0.789  1.0
  Cl  Cl18  1  0.250  0.792  0.289  1.0
  Cl  Cl19  1  0.750  0.208  0.711  1.0
[/CIF]
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