The material described by CePO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ce(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.154
_cell_length_b   6.405
_cell_length_c   8.831
_cell_angle_alpha   51.359
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.085
_cell_formula_units_Z   4
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  0.303  0.654  0.741  1.0
  Ce  Ce1  1  0.803  0.346  0.759  1.0
  Ce  Ce2  1  0.697  0.346  0.259  1.0
  Ce  Ce3  1  0.197  0.654  0.241  1.0
  P  P4  1  0.302  0.171  0.720  1.0
  P  P5  1  0.802  0.829  0.780  1.0
  P  P6  1  0.698  0.829  0.280  1.0
  P  P7  1  0.198  0.171  0.220  1.0
  O  O8  1  0.338  0.169  0.548  1.0
  O  O9  1  0.838  0.831  0.952  1.0
  O  O10  1  0.662  0.831  0.452  1.0
  O  O11  1  0.162  0.169  0.048  1.0
  O  O12  1  0.267  0.877  0.899  1.0
  O  O13  1  0.767  0.123  0.601  1.0
  O  O14  1  0.733  0.123  0.101  1.0
  O  O15  1  0.233  0.877  0.399  1.0
  O  O16  1  0.034  0.298  0.253  1.0
  O  O17  1  0.534  0.702  0.247  1.0
  O  O18  1  0.966  0.702  0.747  1.0
  O  O19  1  0.466  0.298  0.753  1.0
  O  O20  1  0.369  0.356  0.168  1.0
  O  O21  1  0.869  0.644  0.332  1.0
  O  O22  1  0.631  0.644  0.832  1.0
  O  O23  1  0.131  0.356  0.668  1.0
[/CIF]
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The material described by CePO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ce(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.154
_cell_length_b   6.405
_cell_length_c   8.831
_cell_angle_alpha   51.359
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.085
_cell_formula_units_Z   4
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  0.303  0.654  0.741  1.0
  Ce  Ce1  1  0.803  0.346  0.759  1.0
  Ce  Ce2  1  0.697  0.346  0.259  1.0
  Ce  Ce3  1  0.197  0.654  0.241  1.0
  P  P4  1  0.302  0.171  0.720  1.0
  P  P5  1  0.802  0.829  0.780  1.0
  P  P6  1  0.698  0.829  0.280  1.0
  P  P7  1  0.198  0.171  0.220  1.0
  O  O8  1  0.338  0.169  0.548  1.0
  O  O9  1  0.838  0.831  0.952  1.0
  O  O10  1  0.662  0.831  0.452  1.0
  O  O11  1  0.162  0.169  0.048  1.0
  O  O12  1  0.267  0.877  0.899  1.0
  O  O13  1  0.767  0.123  0.601  1.0
  O  O14  1  0.733  0.123  0.101  1.0
  O  O15  1  0.233  0.877  0.399  1.0
  O  O16  1  0.034  0.298  0.253  1.0
  O  O17  1  0.534  0.702  0.247  1.0
  O  O18  1  0.966  0.702  0.747  1.0
  O  O19  1  0.466  0.298  0.753  1.0
  O  O20  1  0.369  0.356  0.168  1.0
  O  O21  1  0.869  0.644  0.332  1.0
  O  O22  1  0.631  0.644  0.832  1.0
  O  O23  1  0.131  0.356  0.668  1.0
[/CIF]
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