The material described by Pr2O3 crystallizes in the trigonal P-3m1 space group. Pr(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(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 OPr4 tetrahedra that share corners with six equivalent O(2)Pr6 octahedra, corners with six equivalent O(1)Pr4 tetrahedra, edges with three equivalent O(2)Pr6 octahedra, and edges with three equivalent O(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. In the second O site, O(2) is bonded to six equivalent Pr(1) atoms to form OPr6 octahedra that share corners with twelve equivalent O(1)Pr4 tetrahedra, edges with six equivalent O(2)Pr6 octahedra, and edges with six equivalent O(1)Pr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   6.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   79.378
_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  0.753  1.0
  Pr  Pr1  1  0.333  0.667  0.247  1.0
  O  O2  1  0.667  0.333  0.354  1.0
  O  O3  1  0.333  0.667  0.646  1.0
  O  O4  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Pr2O3 crystallizes in the trigonal P-3m1 space group. Pr(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(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 OPr4 tetrahedra that share corners with six equivalent O(2)Pr6 octahedra, corners with six equivalent O(1)Pr4 tetrahedra, edges with three equivalent O(2)Pr6 octahedra, and edges with three equivalent O(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. In the second O site, O(2) is bonded to six equivalent Pr(1) atoms to form OPr6 octahedra that share corners with twelve equivalent O(1)Pr4 tetrahedra, edges with six equivalent O(2)Pr6 octahedra, and edges with six equivalent O(1)Pr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   6.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   79.378
_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  0.753  1.0
  Pr  Pr1  1  0.333  0.667  0.247  1.0
  O  O2  1  0.667  0.333  0.354  1.0
  O  O3  1  0.333  0.667  0.646  1.0
  O  O4  1  0.000  0.000  0.000  1.0
[/CIF]
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