The structure described by CeZrO4 crystallizes in the tetragonal P4/nbm space group. Ce(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Zr(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing OCe2Zr2 tetrahedra. is represented by the CIF file [CIF]
data_CeZrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.388
_cell_length_b   5.388
_cell_length_c   5.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   153.937
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Zr  Zr2  1  0.500  0.000  0.500  1.0
  Zr  Zr3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.714  0.786  0.745  1.0
  O  O5  1  0.786  0.286  0.745  1.0
  O  O6  1  0.286  0.214  0.745  1.0
  O  O7  1  0.214  0.714  0.745  1.0
  O  O8  1  0.714  0.214  0.255  1.0
  O  O9  1  0.786  0.714  0.255  1.0
  O  O10  1  0.286  0.786  0.255  1.0
  O  O11  1  0.214  0.286  0.255  1.0
[/CIF]
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The structure described by CeZrO4 crystallizes in the tetragonal P4/nbm space group. Ce(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Zr(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing OCe2Zr2 tetrahedra. is represented by the CIF file [CIF]
data_CeZrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.388
_cell_length_b   5.388
_cell_length_c   5.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   153.937
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Zr  Zr2  1  0.500  0.000  0.500  1.0
  Zr  Zr3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.714  0.786  0.745  1.0
  O  O5  1  0.786  0.286  0.745  1.0
  O  O6  1  0.286  0.214  0.745  1.0
  O  O7  1  0.214  0.714  0.745  1.0
  O  O8  1  0.714  0.214  0.255  1.0
  O  O9  1  0.786  0.714  0.255  1.0
  O  O10  1  0.286  0.786  0.255  1.0
  O  O11  1  0.214  0.286  0.255  1.0
[/CIF]
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