The material structure described by Cs2CeO3 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(6) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing CeO4 tetrahedra. In the second Ce site, Ce(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing CeO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(4), one Ce(1), and one Ce(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), and one Ce(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Ce(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(4), one Ce(1), and one Ce(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), and one Ce(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one Ce(2) atom. is represented by the CIF file [CIF]
data_Cs2CeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.618
_cell_length_b   6.896
_cell_length_c   7.483
_cell_angle_alpha   62.646
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   670.011
_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
  Cs  Cs0  1  0.083  0.876  0.244  1.0
  Cs  Cs1  1  0.133  0.195  0.610  1.0
  Cs  Cs2  1  0.583  0.124  0.756  1.0
  Cs  Cs3  1  0.633  0.805  0.390  1.0
  Cs  Cs4  1  0.364  0.693  0.605  1.0
  Cs  Cs5  1  0.417  0.370  0.249  1.0
  Cs  Cs6  1  0.864  0.307  0.395  1.0
  Cs  Cs7  1  0.917  0.630  0.751  1.0
  Ce  Ce8  1  0.341  0.010  0.978  1.0
  Ce  Ce9  1  0.841  0.990  0.022  1.0
  Ce  Ce10  1  0.660  0.490  0.023  1.0
  Ce  Ce11  1  0.160  0.510  0.977  1.0
  O  O12  1  0.251  0.225  0.047  1.0
  O  O13  1  0.446  0.908  0.184  1.0
  O  O14  1  0.369  0.166  0.678  1.0
  O  O15  1  0.946  0.092  0.816  1.0
  O  O16  1  0.869  0.834  0.322  1.0
  O  O17  1  0.751  0.775  0.953  1.0
  O  O18  1  0.251  0.731  0.038  1.0
  O  O19  1  0.056  0.410  0.182  1.0
  O  O20  1  0.131  0.653  0.680  1.0
  O  O21  1  0.631  0.347  0.320  1.0
  O  O22  1  0.556  0.590  0.818  1.0
  O  O23  1  0.751  0.269  0.962  1.0
[/CIF]
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The material structure described by Cs2CeO3 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(6) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing CeO4 tetrahedra. In the second Ce site, Ce(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing CeO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(4), one Ce(1), and one Ce(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), and one Ce(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Ce(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(4), one Ce(1), and one Ce(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), and one Ce(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one Ce(2) atom. is represented by the CIF file [CIF]
data_Cs2CeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.618
_cell_length_b   6.896
_cell_length_c   7.483
_cell_angle_alpha   62.646
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   670.011
_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
  Cs  Cs0  1  0.083  0.876  0.244  1.0
  Cs  Cs1  1  0.133  0.195  0.610  1.0
  Cs  Cs2  1  0.583  0.124  0.756  1.0
  Cs  Cs3  1  0.633  0.805  0.390  1.0
  Cs  Cs4  1  0.364  0.693  0.605  1.0
  Cs  Cs5  1  0.417  0.370  0.249  1.0
  Cs  Cs6  1  0.864  0.307  0.395  1.0
  Cs  Cs7  1  0.917  0.630  0.751  1.0
  Ce  Ce8  1  0.341  0.010  0.978  1.0
  Ce  Ce9  1  0.841  0.990  0.022  1.0
  Ce  Ce10  1  0.660  0.490  0.023  1.0
  Ce  Ce11  1  0.160  0.510  0.977  1.0
  O  O12  1  0.251  0.225  0.047  1.0
  O  O13  1  0.446  0.908  0.184  1.0
  O  O14  1  0.369  0.166  0.678  1.0
  O  O15  1  0.946  0.092  0.816  1.0
  O  O16  1  0.869  0.834  0.322  1.0
  O  O17  1  0.751  0.775  0.953  1.0
  O  O18  1  0.251  0.731  0.038  1.0
  O  O19  1  0.056  0.410  0.182  1.0
  O  O20  1  0.131  0.653  0.680  1.0
  O  O21  1  0.631  0.347  0.320  1.0
  O  O22  1  0.556  0.590  0.818  1.0
  O  O23  1  0.751  0.269  0.962  1.0
[/CIF]
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