The compound described by Ce(PO4)3 crystallizes in the hexagonal P-6 space group. Ce(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(2) atoms. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ce(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   6.762
_cell_length_c   5.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.959
_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  0.333  0.667  0.500  1.0
  P  P1  1  0.947  0.549  0.000  1.0
  P  P2  1  0.451  0.398  0.000  1.0
  P  P3  1  0.602  0.053  0.000  1.0
  O  O4  1  0.722  0.571  0.000  1.0
  O  O5  1  0.429  0.151  0.000  1.0
  O  O6  1  0.849  0.278  0.000  1.0
  O  O7  1  0.074  0.647  0.217  1.0
  O  O8  1  0.353  0.426  0.217  1.0
  O  O9  1  0.574  0.926  0.217  1.0
  O  O10  1  0.074  0.647  0.783  1.0
  O  O11  1  0.353  0.426  0.783  1.0
  O  O12  1  0.574  0.926  0.783  1.0
  O  O13  1  0.297  0.009  0.500  1.0
  O  O14  1  0.991  0.288  0.500  1.0
  O  O15  1  0.712  0.703  0.500  1.0
[/CIF]
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The compound described by Ce(PO4)3 crystallizes in the hexagonal P-6 space group. Ce(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(2) atoms. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ce(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   6.762
_cell_length_c   5.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.959
_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  0.333  0.667  0.500  1.0
  P  P1  1  0.947  0.549  0.000  1.0
  P  P2  1  0.451  0.398  0.000  1.0
  P  P3  1  0.602  0.053  0.000  1.0
  O  O4  1  0.722  0.571  0.000  1.0
  O  O5  1  0.429  0.151  0.000  1.0
  O  O6  1  0.849  0.278  0.000  1.0
  O  O7  1  0.074  0.647  0.217  1.0
  O  O8  1  0.353  0.426  0.217  1.0
  O  O9  1  0.574  0.926  0.217  1.0
  O  O10  1  0.074  0.647  0.783  1.0
  O  O11  1  0.353  0.426  0.783  1.0
  O  O12  1  0.574  0.926  0.783  1.0
  O  O13  1  0.297  0.009  0.500  1.0
  O  O14  1  0.991  0.288  0.500  1.0
  O  O15  1  0.712  0.703  0.500  1.0
[/CIF]
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