The compound described by Ce(OCl)3 crystallizes in the orthorhombic Pnma space group. Ce(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. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ce(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to one Ce(1) and two equivalent O(2) atoms. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(ClO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.788
_cell_length_b   8.429
_cell_length_c   12.222
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   699.372
_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
  Ce  Ce0  1  0.881  0.750  0.986  1.0
  Ce  Ce1  1  0.619  0.750  0.486  1.0
  Ce  Ce2  1  0.119  0.250  0.014  1.0
  Ce  Ce3  1  0.381  0.250  0.514  1.0
  Cl  Cl4  1  0.998  0.750  0.221  1.0
  Cl  Cl5  1  0.502  0.750  0.721  1.0
  Cl  Cl6  1  0.002  0.250  0.779  1.0
  Cl  Cl7  1  0.498  0.250  0.279  1.0
  Cl  Cl8  1  0.815  0.046  0.082  1.0
  Cl  Cl9  1  0.685  0.454  0.582  1.0
  Cl  Cl10  1  0.185  0.546  0.918  1.0
  Cl  Cl11  1  0.315  0.954  0.418  1.0
  Cl  Cl12  1  0.185  0.954  0.918  1.0
  Cl  Cl13  1  0.315  0.546  0.418  1.0
  Cl  Cl14  1  0.815  0.454  0.082  1.0
  Cl  Cl15  1  0.685  0.046  0.582  1.0
  O  O16  1  0.581  0.750  0.972  1.0
  O  O17  1  0.919  0.750  0.472  1.0
  O  O18  1  0.419  0.250  0.028  1.0
  O  O19  1  0.081  0.250  0.528  1.0
  O  O20  1  0.725  0.623  0.836  1.0
  O  O21  1  0.775  0.877  0.336  1.0
  O  O22  1  0.275  0.123  0.164  1.0
  O  O23  1  0.225  0.377  0.664  1.0
  O  O24  1  0.275  0.377  0.164  1.0
  O  O25  1  0.225  0.123  0.664  1.0
  O  O26  1  0.725  0.877  0.836  1.0
  O  O27  1  0.775  0.623  0.336  1.0
[/CIF]
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The compound described by Ce(OCl)3 crystallizes in the orthorhombic Pnma space group. Ce(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. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ce(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to one Ce(1) and two equivalent O(2) atoms. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(ClO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.788
_cell_length_b   8.429
_cell_length_c   12.222
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   699.372
_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
  Ce  Ce0  1  0.881  0.750  0.986  1.0
  Ce  Ce1  1  0.619  0.750  0.486  1.0
  Ce  Ce2  1  0.119  0.250  0.014  1.0
  Ce  Ce3  1  0.381  0.250  0.514  1.0
  Cl  Cl4  1  0.998  0.750  0.221  1.0
  Cl  Cl5  1  0.502  0.750  0.721  1.0
  Cl  Cl6  1  0.002  0.250  0.779  1.0
  Cl  Cl7  1  0.498  0.250  0.279  1.0
  Cl  Cl8  1  0.815  0.046  0.082  1.0
  Cl  Cl9  1  0.685  0.454  0.582  1.0
  Cl  Cl10  1  0.185  0.546  0.918  1.0
  Cl  Cl11  1  0.315  0.954  0.418  1.0
  Cl  Cl12  1  0.185  0.954  0.918  1.0
  Cl  Cl13  1  0.315  0.546  0.418  1.0
  Cl  Cl14  1  0.815  0.454  0.082  1.0
  Cl  Cl15  1  0.685  0.046  0.582  1.0
  O  O16  1  0.581  0.750  0.972  1.0
  O  O17  1  0.919  0.750  0.472  1.0
  O  O18  1  0.419  0.250  0.028  1.0
  O  O19  1  0.081  0.250  0.528  1.0
  O  O20  1  0.725  0.623  0.836  1.0
  O  O21  1  0.775  0.877  0.336  1.0
  O  O22  1  0.275  0.123  0.164  1.0
  O  O23  1  0.225  0.377  0.664  1.0
  O  O24  1  0.275  0.377  0.164  1.0
  O  O25  1  0.225  0.123  0.664  1.0
  O  O26  1  0.725  0.877  0.836  1.0
  O  O27  1  0.775  0.623  0.336  1.0
[/CIF]
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