The material structure described by Na3Ce2C4O12F crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Ce(1) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one F(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Na(1), one Ce(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Ce(1), and one C(2) atom. F(1) is bonded in a linear geometry to two equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Na3Ce2C4O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.119
_cell_length_c   22.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   520.192
_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
  Na  Na0  1  0.667  0.333  0.977  1.0
  Na  Na1  1  0.667  0.333  0.523  1.0
  Na  Na2  1  0.333  0.667  0.477  1.0
  Na  Na3  1  0.333  0.667  0.023  1.0
  Na  Na4  1  0.000  0.000  0.750  1.0
  Na  Na5  1  0.000  0.000  0.250  1.0
  Ce  Ce6  1  0.333  0.667  0.645  1.0
  Ce  Ce7  1  0.667  0.333  0.355  1.0
  Ce  Ce8  1  0.333  0.667  0.855  1.0
  Ce  Ce9  1  0.667  0.333  0.145  1.0
  C  C10  1  0.000  0.000  0.437  1.0
  C  C11  1  0.667  0.333  0.823  1.0
  C  C12  1  0.000  0.000  0.937  1.0
  C  C13  1  0.000  0.000  0.063  1.0
  C  C14  1  0.333  0.667  0.323  1.0
  C  C15  1  0.333  0.667  0.177  1.0
  C  C16  1  0.000  0.000  0.563  1.0
  C  C17  1  0.667  0.333  0.677  1.0
  O  O18  1  0.293  0.147  0.062  1.0
  O  O19  1  0.813  0.187  0.675  1.0
  O  O20  1  0.147  0.853  0.938  1.0
  O  O21  1  0.707  0.853  0.562  1.0
  O  O22  1  0.853  0.707  0.062  1.0
  O  O23  1  0.147  0.293  0.562  1.0
  O  O24  1  0.625  0.813  0.325  1.0
  O  O25  1  0.187  0.813  0.175  1.0
  O  O26  1  0.147  0.853  0.562  1.0
  O  O27  1  0.375  0.187  0.825  1.0
  O  O28  1  0.813  0.625  0.825  1.0
  O  O29  1  0.853  0.147  0.062  1.0
  O  O30  1  0.187  0.375  0.325  1.0
  O  O31  1  0.187  0.813  0.325  1.0
  O  O32  1  0.375  0.187  0.675  1.0
  O  O33  1  0.187  0.375  0.175  1.0
  O  O34  1  0.813  0.625  0.675  1.0
  O  O35  1  0.853  0.707  0.438  1.0
  O  O36  1  0.293  0.147  0.438  1.0
  O  O37  1  0.853  0.147  0.438  1.0
  O  O38  1  0.707  0.853  0.938  1.0
  O  O39  1  0.147  0.293  0.938  1.0
  O  O40  1  0.625  0.813  0.175  1.0
  O  O41  1  0.813  0.187  0.825  1.0
  F  F42  1  0.667  0.333  0.250  1.0
  F  F43  1  0.333  0.667  0.750  1.0
[/CIF]
.
The material structure described by Na3Ce2C4O12F crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Ce(1) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one F(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Na(1), one Ce(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Ce(1), and one C(2) atom. F(1) is bonded in a linear geometry to two equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Na3Ce2C4O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.119
_cell_length_c   22.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   520.192
_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
  Na  Na0  1  0.667  0.333  0.977  1.0
  Na  Na1  1  0.667  0.333  0.523  1.0
  Na  Na2  1  0.333  0.667  0.477  1.0
  Na  Na3  1  0.333  0.667  0.023  1.0
  Na  Na4  1  0.000  0.000  0.750  1.0
  Na  Na5  1  0.000  0.000  0.250  1.0
  Ce  Ce6  1  0.333  0.667  0.645  1.0
  Ce  Ce7  1  0.667  0.333  0.355  1.0
  Ce  Ce8  1  0.333  0.667  0.855  1.0
  Ce  Ce9  1  0.667  0.333  0.145  1.0
  C  C10  1  0.000  0.000  0.437  1.0
  C  C11  1  0.667  0.333  0.823  1.0
  C  C12  1  0.000  0.000  0.937  1.0
  C  C13  1  0.000  0.000  0.063  1.0
  C  C14  1  0.333  0.667  0.323  1.0
  C  C15  1  0.333  0.667  0.177  1.0
  C  C16  1  0.000  0.000  0.563  1.0
  C  C17  1  0.667  0.333  0.677  1.0
  O  O18  1  0.293  0.147  0.062  1.0
  O  O19  1  0.813  0.187  0.675  1.0
  O  O20  1  0.147  0.853  0.938  1.0
  O  O21  1  0.707  0.853  0.562  1.0
  O  O22  1  0.853  0.707  0.062  1.0
  O  O23  1  0.147  0.293  0.562  1.0
  O  O24  1  0.625  0.813  0.325  1.0
  O  O25  1  0.187  0.813  0.175  1.0
  O  O26  1  0.147  0.853  0.562  1.0
  O  O27  1  0.375  0.187  0.825  1.0
  O  O28  1  0.813  0.625  0.825  1.0
  O  O29  1  0.853  0.147  0.062  1.0
  O  O30  1  0.187  0.375  0.325  1.0
  O  O31  1  0.187  0.813  0.325  1.0
  O  O32  1  0.375  0.187  0.675  1.0
  O  O33  1  0.187  0.375  0.175  1.0
  O  O34  1  0.813  0.625  0.675  1.0
  O  O35  1  0.853  0.707  0.438  1.0
  O  O36  1  0.293  0.147  0.438  1.0
  O  O37  1  0.853  0.147  0.438  1.0
  O  O38  1  0.707  0.853  0.938  1.0
  O  O39  1  0.147  0.293  0.938  1.0
  O  O40  1  0.625  0.813  0.175  1.0
  O  O41  1  0.813  0.187  0.825  1.0
  F  F42  1  0.667  0.333  0.250  1.0
  F  F43  1  0.333  0.667  0.750  1.0
[/CIF]
.