The structure described by Pr2Fe2Se2O3 crystallizes in the tetragonal I4/mmm space group. Pr(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent Se(1) and two equivalent O(2) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Pr(1) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Fe2Se2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.907
_cell_length_b   9.907
_cell_length_c   9.907
_cell_angle_alpha   156.031
_cell_angle_beta   156.031
_cell_angle_gamma   34.154
_symmetry_Int_Tables_number   1
_cell_volume   160.315
_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
  Pr  Pr0  1  0.313  0.313  0.000  1.0
  Pr  Pr1  1  0.687  0.687  0.000  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Se  Se4  1  0.901  0.901  0.000  1.0
  Se  Se5  1  0.099  0.099  0.000  1.0
  O  O6  1  0.250  0.750  0.500  1.0
  O  O7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by Pr2Fe2Se2O3 crystallizes in the tetragonal I4/mmm space group. Pr(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent Se(1) and two equivalent O(2) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Pr(1) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Fe2Se2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.907
_cell_length_b   9.907
_cell_length_c   9.907
_cell_angle_alpha   156.031
_cell_angle_beta   156.031
_cell_angle_gamma   34.154
_symmetry_Int_Tables_number   1
_cell_volume   160.315
_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
  Pr  Pr0  1  0.313  0.313  0.000  1.0
  Pr  Pr1  1  0.687  0.687  0.000  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Se  Se4  1  0.901  0.901  0.000  1.0
  Se  Se5  1  0.099  0.099  0.000  1.0
  O  O6  1  0.250  0.750  0.500  1.0
  O  O7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
[/CIF]
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