The structure described by CePO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. Ce(1) is bonded to eight equivalent O(1) atoms to form distorted CeO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with four equivalent Ce(1)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Ce(1)O8 hexagonal bipyramids and edges with two equivalent Ce(1)O8 hexagonal bipyramids. O(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.144
_cell_length_b   7.144
_cell_length_c   6.439
_cell_angle_alpha   90.003
_cell_angle_beta   89.998
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   284.582
_cell_formula_units_Z   3
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  1.000  0.500  0.667  1.0
  Ce  Ce1  1  0.500  0.500  0.333  1.0
  Ce  Ce2  1  0.500  1.000  1.000  1.0
  P  P3  1  0.000  0.500  0.167  1.0
  P  P4  1  0.500  0.500  0.833  1.0
  P  P5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.447  0.310  0.979  1.0
  O  O7  1  0.690  0.137  0.646  1.0
  O  O8  1  0.863  0.553  0.312  1.0
  O  O9  1  0.137  0.447  0.313  1.0
  O  O10  1  0.553  0.863  0.354  1.0
  O  O11  1  0.553  0.690  0.979  1.0
  O  O12  1  0.447  0.137  0.354  1.0
  O  O13  1  0.310  0.447  0.687  1.0
  O  O14  1  0.137  0.690  0.021  1.0
  O  O15  1  0.863  0.310  0.021  1.0
  O  O16  1  0.690  0.553  0.687  1.0
  O  O17  1  0.310  0.863  0.646  1.0
[/CIF]
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The structure described by CePO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. Ce(1) is bonded to eight equivalent O(1) atoms to form distorted CeO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with four equivalent Ce(1)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Ce(1)O8 hexagonal bipyramids and edges with two equivalent Ce(1)O8 hexagonal bipyramids. O(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.144
_cell_length_b   7.144
_cell_length_c   6.439
_cell_angle_alpha   90.003
_cell_angle_beta   89.998
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   284.582
_cell_formula_units_Z   3
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  1.000  0.500  0.667  1.0
  Ce  Ce1  1  0.500  0.500  0.333  1.0
  Ce  Ce2  1  0.500  1.000  1.000  1.0
  P  P3  1  0.000  0.500  0.167  1.0
  P  P4  1  0.500  0.500  0.833  1.0
  P  P5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.447  0.310  0.979  1.0
  O  O7  1  0.690  0.137  0.646  1.0
  O  O8  1  0.863  0.553  0.312  1.0
  O  O9  1  0.137  0.447  0.313  1.0
  O  O10  1  0.553  0.863  0.354  1.0
  O  O11  1  0.553  0.690  0.979  1.0
  O  O12  1  0.447  0.137  0.354  1.0
  O  O13  1  0.310  0.447  0.687  1.0
  O  O14  1  0.137  0.690  0.021  1.0
  O  O15  1  0.863  0.310  0.021  1.0
  O  O16  1  0.690  0.553  0.687  1.0
  O  O17  1  0.310  0.863  0.646  1.0
[/CIF]
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