The material structure described by KCe(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent Cl(1), and four equivalent Cl(2) atoms. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one Cl(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(1), one Ce(1), and one O(2) atom to form a mixture of distorted corner and edge-sharing ClK2CeO tetrahedra. In the second Cl site, Cl(2) is bonded to two equivalent K(1), one Ce(1), and one O(1) atom to form a mixture of distorted corner and edge-sharing ClK2CeO tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCe(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.231
_cell_length_b   7.200
_cell_length_c   9.986
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.983
_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
  K  K0  1  0.106  0.000  0.000  1.0
  K  K1  1  0.894  0.500  0.500  1.0
  Ce  Ce2  1  0.491  0.000  0.500  1.0
  Ce  Ce3  1  0.509  0.500  0.000  1.0
  Cl  Cl4  1  0.595  0.166  0.134  1.0
  Cl  Cl5  1  0.595  0.834  0.866  1.0
  Cl  Cl6  1  0.405  0.334  0.634  1.0
  Cl  Cl7  1  0.405  0.666  0.366  1.0
  Cl  Cl8  1  0.132  0.125  0.337  1.0
  Cl  Cl9  1  0.132  0.875  0.663  1.0
  Cl  Cl10  1  0.868  0.375  0.837  1.0
  Cl  Cl11  1  0.868  0.625  0.163  1.0
  O  O12  1  0.176  0.468  0.107  1.0
  O  O13  1  0.176  0.532  0.893  1.0
  O  O14  1  0.824  0.032  0.607  1.0
  O  O15  1  0.824  0.968  0.393  1.0
  O  O16  1  0.619  0.216  0.366  1.0
  O  O17  1  0.619  0.784  0.634  1.0
  O  O18  1  0.381  0.284  0.866  1.0
  O  O19  1  0.381  0.716  0.134  1.0
[/CIF]
.
The material structure described by KCe(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent Cl(1), and four equivalent Cl(2) atoms. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one Cl(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(1), one Ce(1), and one O(2) atom to form a mixture of distorted corner and edge-sharing ClK2CeO tetrahedra. In the second Cl site, Cl(2) is bonded to two equivalent K(1), one Ce(1), and one O(1) atom to form a mixture of distorted corner and edge-sharing ClK2CeO tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCe(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.231
_cell_length_b   7.200
_cell_length_c   9.986
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.983
_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
  K  K0  1  0.106  0.000  0.000  1.0
  K  K1  1  0.894  0.500  0.500  1.0
  Ce  Ce2  1  0.491  0.000  0.500  1.0
  Ce  Ce3  1  0.509  0.500  0.000  1.0
  Cl  Cl4  1  0.595  0.166  0.134  1.0
  Cl  Cl5  1  0.595  0.834  0.866  1.0
  Cl  Cl6  1  0.405  0.334  0.634  1.0
  Cl  Cl7  1  0.405  0.666  0.366  1.0
  Cl  Cl8  1  0.132  0.125  0.337  1.0
  Cl  Cl9  1  0.132  0.875  0.663  1.0
  Cl  Cl10  1  0.868  0.375  0.837  1.0
  Cl  Cl11  1  0.868  0.625  0.163  1.0
  O  O12  1  0.176  0.468  0.107  1.0
  O  O13  1  0.176  0.532  0.893  1.0
  O  O14  1  0.824  0.032  0.607  1.0
  O  O15  1  0.824  0.968  0.393  1.0
  O  O16  1  0.619  0.216  0.366  1.0
  O  O17  1  0.619  0.784  0.634  1.0
  O  O18  1  0.381  0.284  0.866  1.0
  O  O19  1  0.381  0.716  0.134  1.0
[/CIF]
.