The material described by Na5CeO6 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(4)O6 octahedra, edges with three equivalent Ce(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the fourth Na site, Na(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Ce(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Na(4)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Ce(1) atom to form a mixture of edge and corner-sharing ONa5Ce octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(1) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Ce(1) atom to form a mixture of distorted edge and corner-sharing ONa5Ce octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third O site, O(2) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Ce(1) atom to form a mixture of edge and corner-sharing ONa5Ce octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Na5CeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.907
_cell_length_c   5.907
_cell_angle_alpha   119.550
_cell_angle_beta   100.036
_cell_angle_gamma   100.036
_symmetry_Int_Tables_number   1
_cell_volume   167.327
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.830  0.670  1.0
  Na  Na2  1  0.000  0.170  0.330  1.0
  Na  Na3  1  1.000  0.500  0.000  1.0
  Na  Na4  1  0.500  0.333  0.167  1.0
  Na  Na5  1  0.500  0.667  0.833  1.0
  O  O6  1  0.280  0.220  0.720  1.0
  O  O7  1  0.720  0.780  0.280  1.0
  O  O8  1  0.267  0.624  0.424  1.0
  O  O9  1  0.733  0.376  0.576  1.0
  O  O10  1  0.733  0.076  0.876  1.0
  O  O11  1  0.267  0.924  0.124  1.0
[/CIF]
.
The material described by Na5CeO6 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(4)O6 octahedra, edges with three equivalent Ce(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the fourth Na site, Na(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Ce(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Na(4)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Ce(1) atom to form a mixture of edge and corner-sharing ONa5Ce octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(1) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Ce(1) atom to form a mixture of distorted edge and corner-sharing ONa5Ce octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third O site, O(2) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Ce(1) atom to form a mixture of edge and corner-sharing ONa5Ce octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Na5CeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.907
_cell_length_c   5.907
_cell_angle_alpha   119.550
_cell_angle_beta   100.036
_cell_angle_gamma   100.036
_symmetry_Int_Tables_number   1
_cell_volume   167.327
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.830  0.670  1.0
  Na  Na2  1  0.000  0.170  0.330  1.0
  Na  Na3  1  1.000  0.500  0.000  1.0
  Na  Na4  1  0.500  0.333  0.167  1.0
  Na  Na5  1  0.500  0.667  0.833  1.0
  O  O6  1  0.280  0.220  0.720  1.0
  O  O7  1  0.720  0.780  0.280  1.0
  O  O8  1  0.267  0.624  0.424  1.0
  O  O9  1  0.733  0.376  0.576  1.0
  O  O10  1  0.733  0.076  0.876  1.0
  O  O11  1  0.267  0.924  0.124  1.0
[/CIF]
.