The compound described by Ce(ClO4)3 crystallizes in the trigonal R3c space group. Ce(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ce(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cl(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ce(1) and one Cl(1) atom. Cl(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. is represented by the CIF card [CIF]
data_Ce(ClO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.798
_cell_length_b   9.798
_cell_length_c   9.798
_cell_angle_alpha   51.551
_cell_angle_beta   51.551
_cell_angle_gamma   51.551
_symmetry_Int_Tables_number   1
_cell_volume   532.866
_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
  Ce  Ce0  1  0.941  0.941  0.941  1.0
  Ce  Ce1  1  0.441  0.441  0.441  1.0
  Cl  Cl2  1  0.654  0.033  0.312  1.0
  Cl  Cl3  1  0.533  0.154  0.812  1.0
  Cl  Cl4  1  0.812  0.533  0.154  1.0
  Cl  Cl5  1  0.033  0.312  0.654  1.0
  Cl  Cl6  1  0.312  0.654  0.033  1.0
  Cl  Cl7  1  0.154  0.812  0.533  1.0
  O  O8  1  0.925  0.254  0.861  1.0
  O  O9  1  0.711  0.115  0.799  1.0
  O  O10  1  0.997  0.429  0.053  1.0
  O  O11  1  0.607  0.079  0.168  1.0
  O  O12  1  0.579  0.107  0.668  1.0
  O  O13  1  0.929  0.497  0.553  1.0
  O  O14  1  0.615  0.211  0.299  1.0
  O  O15  1  0.429  0.053  0.997  1.0
  O  O16  1  0.754  0.425  0.361  1.0
  O  O17  1  0.799  0.711  0.115  1.0
  O  O18  1  0.668  0.579  0.107  1.0
  O  O19  1  0.425  0.361  0.754  1.0
  O  O20  1  0.497  0.553  0.929  1.0
  O  O21  1  0.861  0.925  0.254  1.0
  O  O22  1  0.079  0.168  0.607  1.0
  O  O23  1  0.211  0.299  0.615  1.0
  O  O24  1  0.299  0.615  0.211  1.0
  O  O25  1  0.553  0.929  0.497  1.0
  O  O26  1  0.361  0.754  0.425  1.0
  O  O27  1  0.168  0.607  0.079  1.0
  O  O28  1  0.107  0.668  0.579  1.0
  O  O29  1  0.254  0.861  0.925  1.0
  O  O30  1  0.115  0.799  0.711  1.0
  O  O31  1  0.053  0.997  0.429  1.0
[/CIF]
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The compound described by Ce(ClO4)3 crystallizes in the trigonal R3c space group. Ce(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ce(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cl(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ce(1) and one Cl(1) atom. Cl(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. is represented by the CIF card [CIF]
data_Ce(ClO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.798
_cell_length_b   9.798
_cell_length_c   9.798
_cell_angle_alpha   51.551
_cell_angle_beta   51.551
_cell_angle_gamma   51.551
_symmetry_Int_Tables_number   1
_cell_volume   532.866
_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
  Ce  Ce0  1  0.941  0.941  0.941  1.0
  Ce  Ce1  1  0.441  0.441  0.441  1.0
  Cl  Cl2  1  0.654  0.033  0.312  1.0
  Cl  Cl3  1  0.533  0.154  0.812  1.0
  Cl  Cl4  1  0.812  0.533  0.154  1.0
  Cl  Cl5  1  0.033  0.312  0.654  1.0
  Cl  Cl6  1  0.312  0.654  0.033  1.0
  Cl  Cl7  1  0.154  0.812  0.533  1.0
  O  O8  1  0.925  0.254  0.861  1.0
  O  O9  1  0.711  0.115  0.799  1.0
  O  O10  1  0.997  0.429  0.053  1.0
  O  O11  1  0.607  0.079  0.168  1.0
  O  O12  1  0.579  0.107  0.668  1.0
  O  O13  1  0.929  0.497  0.553  1.0
  O  O14  1  0.615  0.211  0.299  1.0
  O  O15  1  0.429  0.053  0.997  1.0
  O  O16  1  0.754  0.425  0.361  1.0
  O  O17  1  0.799  0.711  0.115  1.0
  O  O18  1  0.668  0.579  0.107  1.0
  O  O19  1  0.425  0.361  0.754  1.0
  O  O20  1  0.497  0.553  0.929  1.0
  O  O21  1  0.861  0.925  0.254  1.0
  O  O22  1  0.079  0.168  0.607  1.0
  O  O23  1  0.211  0.299  0.615  1.0
  O  O24  1  0.299  0.615  0.211  1.0
  O  O25  1  0.553  0.929  0.497  1.0
  O  O26  1  0.361  0.754  0.425  1.0
  O  O27  1  0.168  0.607  0.079  1.0
  O  O28  1  0.107  0.668  0.579  1.0
  O  O29  1  0.254  0.861  0.925  1.0
  O  O30  1  0.115  0.799  0.711  1.0
  O  O31  1  0.053  0.997  0.429  1.0
[/CIF]
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