The material structure described by Ce(PO3)3 crystallizes in the orthorhombic C222_1 space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted linear geometry to one Ce(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   7.083
_cell_length_c   7.339
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   104.779
_symmetry_Int_Tables_number   1
_cell_volume   355.982
_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  0.370  0.370  0.000  1.0
  Ce  Ce1  1  0.630  0.630  0.500  1.0
  P  P2  1  0.833  0.183  0.047  1.0
  P  P3  1  0.167  0.817  0.547  1.0
  P  P4  1  0.183  0.833  0.953  1.0
  P  P5  1  0.817  0.167  0.453  1.0
  P  P6  1  0.752  0.752  1.000  1.0
  P  P7  1  0.248  0.248  0.500  1.0
  O  O8  1  0.753  0.970  0.959  1.0
  O  O9  1  0.247  0.030  0.459  1.0
  O  O10  1  0.970  0.753  0.041  1.0
  O  O11  1  0.030  0.247  0.541  1.0
  O  O12  1  0.677  0.637  0.832  1.0
  O  O13  1  0.323  0.363  0.332  1.0
  O  O14  1  0.637  0.676  0.168  1.0
  O  O15  1  0.363  0.324  0.668  1.0
  O  O16  1  0.718  0.327  0.461  1.0
  O  O17  1  0.282  0.673  0.961  1.0
  O  O18  1  0.327  0.718  0.539  1.0
  O  O19  1  0.673  0.282  0.039  1.0
  O  O20  1  0.722  0.977  0.537  1.0
  O  O21  1  0.278  0.023  0.037  1.0
  O  O22  1  0.977  0.722  0.463  1.0
  O  O23  1  0.023  0.278  0.963  1.0
  O  O24  1  0.874  0.126  0.250  1.0
  O  O25  1  0.126  0.874  0.750  1.0
[/CIF]
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The material structure described by Ce(PO3)3 crystallizes in the orthorhombic C222_1 space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted linear geometry to one Ce(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   7.083
_cell_length_c   7.339
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   104.779
_symmetry_Int_Tables_number   1
_cell_volume   355.982
_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  0.370  0.370  0.000  1.0
  Ce  Ce1  1  0.630  0.630  0.500  1.0
  P  P2  1  0.833  0.183  0.047  1.0
  P  P3  1  0.167  0.817  0.547  1.0
  P  P4  1  0.183  0.833  0.953  1.0
  P  P5  1  0.817  0.167  0.453  1.0
  P  P6  1  0.752  0.752  1.000  1.0
  P  P7  1  0.248  0.248  0.500  1.0
  O  O8  1  0.753  0.970  0.959  1.0
  O  O9  1  0.247  0.030  0.459  1.0
  O  O10  1  0.970  0.753  0.041  1.0
  O  O11  1  0.030  0.247  0.541  1.0
  O  O12  1  0.677  0.637  0.832  1.0
  O  O13  1  0.323  0.363  0.332  1.0
  O  O14  1  0.637  0.676  0.168  1.0
  O  O15  1  0.363  0.324  0.668  1.0
  O  O16  1  0.718  0.327  0.461  1.0
  O  O17  1  0.282  0.673  0.961  1.0
  O  O18  1  0.327  0.718  0.539  1.0
  O  O19  1  0.673  0.282  0.039  1.0
  O  O20  1  0.722  0.977  0.537  1.0
  O  O21  1  0.278  0.023  0.037  1.0
  O  O22  1  0.977  0.722  0.463  1.0
  O  O23  1  0.023  0.278  0.963  1.0
  O  O24  1  0.874  0.126  0.250  1.0
  O  O25  1  0.126  0.874  0.750  1.0
[/CIF]
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