The compound described by NaCeS2O9 crystallizes in the trigonal P3_121 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ce(1) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Ce(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. In the third 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 fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. is represented by the CIF file [CIF]
data_NaCeS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   6.990
_cell_length_c   13.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   552.989
_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  0.470  0.000  0.833  1.0
  Na  Na1  1  0.530  0.530  0.500  1.0
  Na  Na2  1  0.000  0.470  0.167  1.0
  Ce  Ce3  1  0.575  0.575  0.000  1.0
  Ce  Ce4  1  0.000  0.425  0.667  1.0
  Ce  Ce5  1  0.425  0.000  0.333  1.0
  S  S6  1  0.016  0.457  0.909  1.0
  S  S7  1  0.441  0.984  0.576  1.0
  S  S8  1  0.543  0.559  0.242  1.0
  S  S9  1  0.984  0.441  0.424  1.0
  S  S10  1  0.457  0.016  0.091  1.0
  S  S11  1  0.559  0.543  0.758  1.0
  O  O12  1  0.173  0.421  0.971  1.0
  O  O13  1  0.248  0.827  0.638  1.0
  O  O14  1  0.579  0.752  0.304  1.0
  O  O15  1  0.827  0.248  0.362  1.0
  O  O16  1  0.421  0.173  0.029  1.0
  O  O17  1  0.752  0.579  0.696  1.0
  O  O18  1  0.881  0.505  0.983  1.0
  O  O19  1  0.624  0.119  0.649  1.0
  O  O20  1  0.495  0.376  0.316  1.0
  O  O21  1  0.119  0.624  0.351  1.0
  O  O22  1  0.505  0.881  0.017  1.0
  O  O23  1  0.376  0.495  0.684  1.0
  O  O24  1  0.135  0.642  0.835  1.0
  O  O25  1  0.507  0.865  0.502  1.0
  O  O26  1  0.358  0.493  0.168  1.0
  O  O27  1  0.865  0.507  0.498  1.0
  O  O28  1  0.642  0.135  0.165  1.0
  O  O29  1  0.493  0.358  0.832  1.0
  O  O30  1  0.870  0.261  0.846  1.0
  O  O31  1  0.391  0.130  0.512  1.0
  O  O32  1  0.739  0.609  0.179  1.0
  O  O33  1  0.130  0.391  0.488  1.0
  O  O34  1  0.261  0.870  0.154  1.0
  O  O35  1  0.609  0.739  0.821  1.0
  O  O36  1  0.872  0.872  0.000  1.0
  O  O37  1  0.000  0.128  0.667  1.0
  O  O38  1  0.128  0.000  0.333  1.0
[/CIF]
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The compound described by NaCeS2O9 crystallizes in the trigonal P3_121 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ce(1) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Ce(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. In the third 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 fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one S(1) atom. is represented by the CIF file [CIF]
data_NaCeS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   6.990
_cell_length_c   13.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   552.989
_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  0.470  0.000  0.833  1.0
  Na  Na1  1  0.530  0.530  0.500  1.0
  Na  Na2  1  0.000  0.470  0.167  1.0
  Ce  Ce3  1  0.575  0.575  0.000  1.0
  Ce  Ce4  1  0.000  0.425  0.667  1.0
  Ce  Ce5  1  0.425  0.000  0.333  1.0
  S  S6  1  0.016  0.457  0.909  1.0
  S  S7  1  0.441  0.984  0.576  1.0
  S  S8  1  0.543  0.559  0.242  1.0
  S  S9  1  0.984  0.441  0.424  1.0
  S  S10  1  0.457  0.016  0.091  1.0
  S  S11  1  0.559  0.543  0.758  1.0
  O  O12  1  0.173  0.421  0.971  1.0
  O  O13  1  0.248  0.827  0.638  1.0
  O  O14  1  0.579  0.752  0.304  1.0
  O  O15  1  0.827  0.248  0.362  1.0
  O  O16  1  0.421  0.173  0.029  1.0
  O  O17  1  0.752  0.579  0.696  1.0
  O  O18  1  0.881  0.505  0.983  1.0
  O  O19  1  0.624  0.119  0.649  1.0
  O  O20  1  0.495  0.376  0.316  1.0
  O  O21  1  0.119  0.624  0.351  1.0
  O  O22  1  0.505  0.881  0.017  1.0
  O  O23  1  0.376  0.495  0.684  1.0
  O  O24  1  0.135  0.642  0.835  1.0
  O  O25  1  0.507  0.865  0.502  1.0
  O  O26  1  0.358  0.493  0.168  1.0
  O  O27  1  0.865  0.507  0.498  1.0
  O  O28  1  0.642  0.135  0.165  1.0
  O  O29  1  0.493  0.358  0.832  1.0
  O  O30  1  0.870  0.261  0.846  1.0
  O  O31  1  0.391  0.130  0.512  1.0
  O  O32  1  0.739  0.609  0.179  1.0
  O  O33  1  0.130  0.391  0.488  1.0
  O  O34  1  0.261  0.870  0.154  1.0
  O  O35  1  0.609  0.739  0.821  1.0
  O  O36  1  0.872  0.872  0.000  1.0
  O  O37  1  0.000  0.128  0.667  1.0
  O  O38  1  0.128  0.000  0.333  1.0
[/CIF]
.