The structure described by NaCe(SO4)2(H2O) crystallizes in the trigonal P3_2 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. Ce(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(7), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. In the third O site, O(9) is bonded in a 1-coordinate geometry to one Na(1), one Ce(1), and one S(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), one Ce(1), and one S(2) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Ce(1), and one S(1) atom. In the eighth O site, O(5) is bonded in a distorted water-like geometry to one Ce(1), one H(1), and one H(2) atom. In the ninth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Ce(1), and one S(1) atom. is represented by the CIF card [CIF]
data_NaCeH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.966
_cell_length_b   6.966
_cell_length_c   12.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   539.792
_cell_formula_units_Z   3
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
  Na  Na0  1  0.996  0.465  0.843  1.0
  Na  Na1  1  0.535  0.531  0.510  1.0
  Na  Na2  1  0.469  0.004  0.176  1.0
  Ce  Ce3  1  0.012  0.432  0.342  1.0
  Ce  Ce4  1  0.568  0.580  0.008  1.0
  Ce  Ce5  1  0.420  0.988  0.675  1.0
  H  H6  1  0.023  0.918  0.933  1.0
  H  H7  1  0.082  0.105  0.600  1.0
  H  H8  1  0.088  0.005  0.339  1.0
  H  H9  1  0.895  0.977  0.266  1.0
  H  H10  1  0.917  0.912  0.672  1.0
  H  H11  1  0.995  0.083  0.006  1.0
  S  S12  1  0.009  0.450  0.095  1.0
  S  S13  1  0.441  0.991  0.428  1.0
  S  S14  1  0.550  0.559  0.762  1.0
  S  S15  1  0.572  0.556  0.256  1.0
  S  S16  1  0.444  0.016  0.922  1.0
  S  S17  1  0.984  0.428  0.589  1.0
  O  O18  1  0.125  0.599  0.665  1.0
  O  O19  1  0.151  0.631  0.168  1.0
  O  O20  1  0.242  0.882  0.858  1.0
  O  O21  1  0.242  0.855  0.364  1.0
  O  O22  1  0.118  0.360  0.525  1.0
  O  O23  1  0.145  0.387  0.031  1.0
  O  O24  1  0.474  0.875  0.998  1.0
  O  O25  1  0.480  0.849  0.501  1.0
  O  O26  1  0.068  0.986  0.645  1.0
  O  O27  1  0.369  0.520  0.834  1.0
  O  O28  1  0.401  0.526  0.332  1.0
  O  O29  1  0.613  0.758  0.697  1.0
  O  O30  1  0.640  0.758  0.192  1.0
  O  O31  1  0.483  0.371  0.690  1.0
  O  O32  1  0.487  0.370  0.182  1.0
  O  O33  1  0.407  0.145  0.494  1.0
  O  O34  1  0.419  0.182  0.981  1.0
  O  O35  1  0.738  0.593  0.828  1.0
  O  O36  1  0.764  0.581  0.314  1.0
  O  O37  1  0.919  0.932  0.978  1.0
  O  O38  1  0.629  0.112  0.357  1.0
  O  O39  1  0.630  0.118  0.848  1.0
  O  O40  1  0.882  0.513  0.515  1.0
  O  O41  1  0.888  0.517  0.024  1.0
  O  O42  1  0.818  0.236  0.648  1.0
  O  O43  1  0.855  0.262  0.161  1.0
  O  O44  1  0.014  0.081  0.312  1.0
[/CIF]
.
The structure described by NaCe(SO4)2(H2O) crystallizes in the trigonal P3_2 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. Ce(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(7), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. In the third O site, O(9) is bonded in a 1-coordinate geometry to one Na(1), one Ce(1), and one S(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), one Ce(1), and one S(2) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Ce(1), and one S(1) atom. In the eighth O site, O(5) is bonded in a distorted water-like geometry to one Ce(1), one H(1), and one H(2) atom. In the ninth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Ce(1), and one S(1) atom. is represented by the CIF card [CIF]
data_NaCeH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.966
_cell_length_b   6.966
_cell_length_c   12.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   539.792
_cell_formula_units_Z   3
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
  Na  Na0  1  0.996  0.465  0.843  1.0
  Na  Na1  1  0.535  0.531  0.510  1.0
  Na  Na2  1  0.469  0.004  0.176  1.0
  Ce  Ce3  1  0.012  0.432  0.342  1.0
  Ce  Ce4  1  0.568  0.580  0.008  1.0
  Ce  Ce5  1  0.420  0.988  0.675  1.0
  H  H6  1  0.023  0.918  0.933  1.0
  H  H7  1  0.082  0.105  0.600  1.0
  H  H8  1  0.088  0.005  0.339  1.0
  H  H9  1  0.895  0.977  0.266  1.0
  H  H10  1  0.917  0.912  0.672  1.0
  H  H11  1  0.995  0.083  0.006  1.0
  S  S12  1  0.009  0.450  0.095  1.0
  S  S13  1  0.441  0.991  0.428  1.0
  S  S14  1  0.550  0.559  0.762  1.0
  S  S15  1  0.572  0.556  0.256  1.0
  S  S16  1  0.444  0.016  0.922  1.0
  S  S17  1  0.984  0.428  0.589  1.0
  O  O18  1  0.125  0.599  0.665  1.0
  O  O19  1  0.151  0.631  0.168  1.0
  O  O20  1  0.242  0.882  0.858  1.0
  O  O21  1  0.242  0.855  0.364  1.0
  O  O22  1  0.118  0.360  0.525  1.0
  O  O23  1  0.145  0.387  0.031  1.0
  O  O24  1  0.474  0.875  0.998  1.0
  O  O25  1  0.480  0.849  0.501  1.0
  O  O26  1  0.068  0.986  0.645  1.0
  O  O27  1  0.369  0.520  0.834  1.0
  O  O28  1  0.401  0.526  0.332  1.0
  O  O29  1  0.613  0.758  0.697  1.0
  O  O30  1  0.640  0.758  0.192  1.0
  O  O31  1  0.483  0.371  0.690  1.0
  O  O32  1  0.487  0.370  0.182  1.0
  O  O33  1  0.407  0.145  0.494  1.0
  O  O34  1  0.419  0.182  0.981  1.0
  O  O35  1  0.738  0.593  0.828  1.0
  O  O36  1  0.764  0.581  0.314  1.0
  O  O37  1  0.919  0.932  0.978  1.0
  O  O38  1  0.629  0.112  0.357  1.0
  O  O39  1  0.630  0.118  0.848  1.0
  O  O40  1  0.882  0.513  0.515  1.0
  O  O41  1  0.888  0.517  0.024  1.0
  O  O42  1  0.818  0.236  0.648  1.0
  O  O43  1  0.855  0.262  0.161  1.0
  O  O44  1  0.014  0.081  0.312  1.0
[/CIF]
.