The material structure described by Ce4Se3O4 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 4-coordinate geometry to two equivalent Se(1), two equivalent Se(2), one O(1), one O(3), and two equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to four equivalent Se(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Ce site, Ce(3) is bonded in a 4-coordinate geometry to two equivalent Se(2), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and one Se(2) atom. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent Ce(3), four equivalent Ce(1), and two equivalent Se(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Ce(3) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the second O site, O(2) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. is represented by the CIF card [CIF]
data_Ce4Se3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.630
_cell_length_b   6.630
_cell_length_c   8.610
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.331
_symmetry_Int_Tables_number   1
_cell_volume   215.294
_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  0.312  0.688  0.239  1.0
  Ce  Ce1  1  0.989  0.011  0.500  1.0
  Ce  Ce2  1  0.002  0.998  0.000  1.0
  Ce  Ce3  1  0.312  0.688  0.761  1.0
  Se  Se4  1  0.636  0.364  0.668  1.0
  Se  Se5  1  0.636  0.364  0.332  1.0
  Se  Se6  1  0.693  0.307  0.000  1.0
  O  O7  1  0.412  0.588  0.000  1.0
  O  O8  1  0.910  0.090  0.753  1.0
  O  O9  1  0.910  0.090  0.247  1.0
  O  O10  1  0.383  0.617  0.500  1.0
[/CIF]
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The material structure described by Ce4Se3O4 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 4-coordinate geometry to two equivalent Se(1), two equivalent Se(2), one O(1), one O(3), and two equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to four equivalent Se(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Ce site, Ce(3) is bonded in a 4-coordinate geometry to two equivalent Se(2), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and one Se(2) atom. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent Ce(3), four equivalent Ce(1), and two equivalent Se(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Ce(3) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the second O site, O(2) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. is represented by the CIF card [CIF]
data_Ce4Se3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.630
_cell_length_b   6.630
_cell_length_c   8.610
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.331
_symmetry_Int_Tables_number   1
_cell_volume   215.294
_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  0.312  0.688  0.239  1.0
  Ce  Ce1  1  0.989  0.011  0.500  1.0
  Ce  Ce2  1  0.002  0.998  0.000  1.0
  Ce  Ce3  1  0.312  0.688  0.761  1.0
  Se  Se4  1  0.636  0.364  0.668  1.0
  Se  Se5  1  0.636  0.364  0.332  1.0
  Se  Se6  1  0.693  0.307  0.000  1.0
  O  O7  1  0.412  0.588  0.000  1.0
  O  O8  1  0.910  0.090  0.753  1.0
  O  O9  1  0.910  0.090  0.247  1.0
  O  O10  1  0.383  0.617  0.500  1.0
[/CIF]
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