The material described by Ce(O3I)3 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), one O(7), one O(8), two equivalent O(6), and two equivalent O(9) atoms. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a 2-coordinate geometry to two equivalent I(2) atoms. In the second O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one I(2) atom. In the third O site, O(7) is bonded in a water-like geometry to one Ce(1) and one I(3) atom. In the fourth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one I(3) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Ce(1) and one I(1) atom. In the sixth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one I(3) atom. In the seventh O site, O(2) is bonded in a single-bond geometry to one I(1) atom. In the eighth O site, O(3) is bonded in a bent 120 degrees geometry to one Ce(1) and one I(1) atom. In the ninth O site, O(4) is bonded in a distorted water-like geometry to one Ce(1) and one I(2) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(4), one O(6), and two equivalent O(5) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom. is represented by the CIF card [CIF]
data_Ce(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   8.971
_cell_length_c   17.060
_cell_angle_alpha   64.944
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   840.517
_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  0.767  0.862  0.099  1.0
  Ce  Ce1  1  0.267  0.138  0.401  1.0
  Ce  Ce2  1  0.233  0.138  0.901  1.0
  Ce  Ce3  1  0.733  0.862  0.599  1.0
  I  I4  1  0.090  0.584  0.302  1.0
  I  I5  1  0.590  0.416  0.198  1.0
  I  I6  1  0.910  0.416  0.698  1.0
  I  I7  1  0.410  0.584  0.802  1.0
  I  I8  1  0.137  0.640  0.023  1.0
  I  I9  1  0.637  0.360  0.477  1.0
  I  I10  1  0.863  0.360  0.977  1.0
  I  I11  1  0.363  0.640  0.523  1.0
  I  I12  1  0.312  0.069  0.149  1.0
  I  I13  1  0.812  0.931  0.351  1.0
  I  I14  1  0.688  0.931  0.851  1.0
  I  I15  1  0.188  0.069  0.649  1.0
  O  O16  1  0.817  0.657  0.254  1.0
  O  O17  1  0.317  0.343  0.246  1.0
  O  O18  1  0.183  0.343  0.746  1.0
  O  O19  1  0.683  0.657  0.754  1.0
  O  O20  1  0.086  0.668  0.383  1.0
  O  O21  1  0.586  0.332  0.117  1.0
  O  O22  1  0.914  0.332  0.617  1.0
  O  O23  1  0.414  0.668  0.883  1.0
  O  O24  1  0.001  0.370  0.368  1.0
  O  O25  1  0.501  0.630  0.132  1.0
  O  O26  1  0.999  0.630  0.632  1.0
  O  O27  1  0.499  0.370  0.868  1.0
  O  O28  1  0.968  0.598  0.119  1.0
  O  O29  1  0.468  0.402  0.381  1.0
  O  O30  1  0.032  0.402  0.881  1.0
  O  O31  1  0.532  0.598  0.619  1.0
  O  O32  1  0.914  0.642  0.946  1.0
  O  O33  1  0.414  0.358  0.554  1.0
  O  O34  1  0.086  0.358  0.054  1.0
  O  O35  1  0.586  0.642  0.446  1.0
  O  O36  1  0.101  0.866  0.990  1.0
  O  O37  1  0.601  0.134  0.510  1.0
  O  O38  1  0.899  0.134  0.010  1.0
  O  O39  1  0.399  0.866  0.490  1.0
  O  O40  1  0.551  0.937  0.202  1.0
  O  O41  1  0.051  0.063  0.298  1.0
  O  O42  1  0.449  0.063  0.798  1.0
  O  O43  1  0.949  0.937  0.702  1.0
  O  O44  1  0.106  0.905  0.171  1.0
  O  O45  1  0.606  0.095  0.329  1.0
  O  O46  1  0.894  0.095  0.829  1.0
  O  O47  1  0.394  0.905  0.671  1.0
  O  O48  1  0.406  0.092  0.041  1.0
  O  O49  1  0.906  0.908  0.459  1.0
  O  O50  1  0.594  0.908  0.959  1.0
  O  O51  1  0.094  0.092  0.541  1.0
[/CIF]
.
The material described by Ce(O3I)3 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), one O(7), one O(8), two equivalent O(6), and two equivalent O(9) atoms. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a 2-coordinate geometry to two equivalent I(2) atoms. In the second O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one I(2) atom. In the third O site, O(7) is bonded in a water-like geometry to one Ce(1) and one I(3) atom. In the fourth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one I(3) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Ce(1) and one I(1) atom. In the sixth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one I(3) atom. In the seventh O site, O(2) is bonded in a single-bond geometry to one I(1) atom. In the eighth O site, O(3) is bonded in a bent 120 degrees geometry to one Ce(1) and one I(1) atom. In the ninth O site, O(4) is bonded in a distorted water-like geometry to one Ce(1) and one I(2) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(4), one O(6), and two equivalent O(5) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom. is represented by the CIF card [CIF]
data_Ce(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   8.971
_cell_length_c   17.060
_cell_angle_alpha   64.944
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   840.517
_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  0.767  0.862  0.099  1.0
  Ce  Ce1  1  0.267  0.138  0.401  1.0
  Ce  Ce2  1  0.233  0.138  0.901  1.0
  Ce  Ce3  1  0.733  0.862  0.599  1.0
  I  I4  1  0.090  0.584  0.302  1.0
  I  I5  1  0.590  0.416  0.198  1.0
  I  I6  1  0.910  0.416  0.698  1.0
  I  I7  1  0.410  0.584  0.802  1.0
  I  I8  1  0.137  0.640  0.023  1.0
  I  I9  1  0.637  0.360  0.477  1.0
  I  I10  1  0.863  0.360  0.977  1.0
  I  I11  1  0.363  0.640  0.523  1.0
  I  I12  1  0.312  0.069  0.149  1.0
  I  I13  1  0.812  0.931  0.351  1.0
  I  I14  1  0.688  0.931  0.851  1.0
  I  I15  1  0.188  0.069  0.649  1.0
  O  O16  1  0.817  0.657  0.254  1.0
  O  O17  1  0.317  0.343  0.246  1.0
  O  O18  1  0.183  0.343  0.746  1.0
  O  O19  1  0.683  0.657  0.754  1.0
  O  O20  1  0.086  0.668  0.383  1.0
  O  O21  1  0.586  0.332  0.117  1.0
  O  O22  1  0.914  0.332  0.617  1.0
  O  O23  1  0.414  0.668  0.883  1.0
  O  O24  1  0.001  0.370  0.368  1.0
  O  O25  1  0.501  0.630  0.132  1.0
  O  O26  1  0.999  0.630  0.632  1.0
  O  O27  1  0.499  0.370  0.868  1.0
  O  O28  1  0.968  0.598  0.119  1.0
  O  O29  1  0.468  0.402  0.381  1.0
  O  O30  1  0.032  0.402  0.881  1.0
  O  O31  1  0.532  0.598  0.619  1.0
  O  O32  1  0.914  0.642  0.946  1.0
  O  O33  1  0.414  0.358  0.554  1.0
  O  O34  1  0.086  0.358  0.054  1.0
  O  O35  1  0.586  0.642  0.446  1.0
  O  O36  1  0.101  0.866  0.990  1.0
  O  O37  1  0.601  0.134  0.510  1.0
  O  O38  1  0.899  0.134  0.010  1.0
  O  O39  1  0.399  0.866  0.490  1.0
  O  O40  1  0.551  0.937  0.202  1.0
  O  O41  1  0.051  0.063  0.298  1.0
  O  O42  1  0.449  0.063  0.798  1.0
  O  O43  1  0.949  0.937  0.702  1.0
  O  O44  1  0.106  0.905  0.171  1.0
  O  O45  1  0.606  0.095  0.329  1.0
  O  O46  1  0.894  0.095  0.829  1.0
  O  O47  1  0.394  0.905  0.671  1.0
  O  O48  1  0.406  0.092  0.041  1.0
  O  O49  1  0.906  0.908  0.459  1.0
  O  O50  1  0.594  0.908  0.959  1.0
  O  O51  1  0.094  0.092  0.541  1.0
[/CIF]
.