The material structure described by Ce2Fe2O3S2 crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent S(1) and two equivalent O(2) atoms. S(1) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ce(1) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Fe2S2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.392
_cell_length_b   9.392
_cell_length_c   9.392
_cell_angle_alpha   155.109
_cell_angle_beta   155.109
_cell_angle_gamma   35.490
_symmetry_Int_Tables_number   1
_cell_volume   146.577
_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  0.317  0.317  0.000  1.0
  Ce  Ce1  1  0.683  0.683  0.000  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  S  S4  1  0.903  0.903  0.000  1.0
  S  S5  1  0.097  0.097  0.000  1.0
  O  O6  1  0.250  0.750  0.500  1.0
  O  O7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Ce2Fe2O3S2 crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent S(1) and two equivalent O(2) atoms. S(1) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ce(1) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Fe2S2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.392
_cell_length_b   9.392
_cell_length_c   9.392
_cell_angle_alpha   155.109
_cell_angle_beta   155.109
_cell_angle_gamma   35.490
_symmetry_Int_Tables_number   1
_cell_volume   146.577
_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  0.317  0.317  0.000  1.0
  Ce  Ce1  1  0.683  0.683  0.000  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  S  S4  1  0.903  0.903  0.000  1.0
  S  S5  1  0.097  0.097  0.000  1.0
  O  O6  1  0.250  0.750  0.500  1.0
  O  O7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
[/CIF]
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