The compound described by Pr2SeO2 crystallizes in the trigonal P-3m1 space group. Pr(1) is bonded in a 7-coordinate geometry to three equivalent Se(1) and four equivalent O(1) atoms. Se(1) is bonded to six equivalent Pr(1) atoms to form SePr6 octahedra that share corners with twelve equivalent O(1)Pr4 tetrahedra, edges with six equivalent Se(1)Pr6 octahedra, and edges with six equivalent O(1)Pr4 tetrahedra. O(1) is bonded to four equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with six equivalent Se(1)Pr6 octahedra, corners with six equivalent O(1)Pr4 tetrahedra, edges with three equivalent Se(1)Pr6 octahedra, and edges with three equivalent O(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2SeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   4.041
_cell_length_c   7.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   100.383
_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  0.667  0.333  0.712  1.0
  Pr  Pr1  1  0.333  0.667  0.288  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.626  1.0
  O  O4  1  0.667  0.333  0.374  1.0
[/CIF]
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The compound described by Pr2SeO2 crystallizes in the trigonal P-3m1 space group. Pr(1) is bonded in a 7-coordinate geometry to three equivalent Se(1) and four equivalent O(1) atoms. Se(1) is bonded to six equivalent Pr(1) atoms to form SePr6 octahedra that share corners with twelve equivalent O(1)Pr4 tetrahedra, edges with six equivalent Se(1)Pr6 octahedra, and edges with six equivalent O(1)Pr4 tetrahedra. O(1) is bonded to four equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with six equivalent Se(1)Pr6 octahedra, corners with six equivalent O(1)Pr4 tetrahedra, edges with three equivalent Se(1)Pr6 octahedra, and edges with three equivalent O(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2SeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   4.041
_cell_length_c   7.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   100.383
_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  0.667  0.333  0.712  1.0
  Pr  Pr1  1  0.333  0.667  0.288  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.626  1.0
  O  O4  1  0.667  0.333  0.374  1.0
[/CIF]
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