The compound described by Pr2O3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(1), and three equivalent O(2) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), two equivalent Pr(2), and two equivalent Pr(3) atoms to form distorted OPr5 square pyramids that share corners with two equivalent O(3)Pr4 tetrahedra, corners with five equivalent O(2)Pr4 tetrahedra, edges with two equivalent O(5)Pr6 octahedra, edges with two equivalent O(1)Pr5 square pyramids,  an edgeedge with one O(2)Pr4 tetrahedra, and edges with two equivalent O(3)Pr4 tetrahedra. In the second O site, O(2) is bonded to one Pr(1) and three equivalent Pr(2) atoms to form OPr4 tetrahedra that share  a cornercorner with one O(5)Pr6 octahedra, corners with five equivalent O(1)Pr5 square pyramids, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent O(3)Pr4 tetrahedra, edges with two equivalent O(5)Pr6 octahedra,  an edgeedge with one O(1)Pr5 square pyramid, and edges with two equivalent O(2)Pr4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the third O site, O(3) is bonded to two equivalent Pr(1) and two equivalent Pr(3) atoms to form OPr4 tetrahedra that share corners with two equivalent O(5)Pr6 octahedra, corners with two equivalent O(1)Pr5 square pyramids, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent O(3)Pr4 tetrahedra,  an edgeedge with one O(5)Pr6 octahedra, edges with two equivalent O(1)Pr5 square pyramids, and  an edgeedge with one O(3)Pr4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), and three equivalent Pr(3) atoms. In the fifth O site, O(5) is bonded to two equivalent Pr(2) and four equivalent Pr(1) atoms to form OPr6 octahedra that share corners with two equivalent O(2)Pr4 tetrahedra, corners with four equivalent O(3)Pr4 tetrahedra, edges with two equivalent O(5)Pr6 octahedra, edges with four equivalent O(1)Pr5 square pyramids, edges with two equivalent O(3)Pr4 tetrahedra, and edges with four equivalent O(2)Pr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.732
_cell_length_b   7.503
_cell_length_c   9.095
_cell_angle_alpha   99.503
_cell_angle_beta   90.000
_cell_angle_gamma   104.402
_symmetry_Int_Tables_number   1
_cell_volume   243.083
_cell_formula_units_Z   3
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  0.966  0.932  0.189  1.0
  Pr  Pr1  1  0.034  0.068  0.811  1.0
  Pr  Pr2  1  0.310  0.619  0.862  1.0
  Pr  Pr3  1  0.635  0.269  0.489  1.0
  Pr  Pr4  1  0.365  0.731  0.511  1.0
  Pr  Pr5  1  0.690  0.381  0.138  1.0
  O  O6  1  0.129  0.259  0.287  1.0
  O  O7  1  0.176  0.351  0.974  1.0
  O  O8  1  0.474  0.948  0.344  1.0
  O  O9  1  0.798  0.597  0.373  1.0
  O  O10  1  0.871  0.741  0.713  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.526  0.052  0.656  1.0
  O  O13  1  0.824  0.649  0.026  1.0
  O  O14  1  0.202  0.403  0.627  1.0
[/CIF]
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The compound described by Pr2O3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(1), and three equivalent O(2) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), two equivalent Pr(2), and two equivalent Pr(3) atoms to form distorted OPr5 square pyramids that share corners with two equivalent O(3)Pr4 tetrahedra, corners with five equivalent O(2)Pr4 tetrahedra, edges with two equivalent O(5)Pr6 octahedra, edges with two equivalent O(1)Pr5 square pyramids,  an edgeedge with one O(2)Pr4 tetrahedra, and edges with two equivalent O(3)Pr4 tetrahedra. In the second O site, O(2) is bonded to one Pr(1) and three equivalent Pr(2) atoms to form OPr4 tetrahedra that share  a cornercorner with one O(5)Pr6 octahedra, corners with five equivalent O(1)Pr5 square pyramids, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent O(3)Pr4 tetrahedra, edges with two equivalent O(5)Pr6 octahedra,  an edgeedge with one O(1)Pr5 square pyramid, and edges with two equivalent O(2)Pr4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the third O site, O(3) is bonded to two equivalent Pr(1) and two equivalent Pr(3) atoms to form OPr4 tetrahedra that share corners with two equivalent O(5)Pr6 octahedra, corners with two equivalent O(1)Pr5 square pyramids, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent O(3)Pr4 tetrahedra,  an edgeedge with one O(5)Pr6 octahedra, edges with two equivalent O(1)Pr5 square pyramids, and  an edgeedge with one O(3)Pr4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), and three equivalent Pr(3) atoms. In the fifth O site, O(5) is bonded to two equivalent Pr(2) and four equivalent Pr(1) atoms to form OPr6 octahedra that share corners with two equivalent O(2)Pr4 tetrahedra, corners with four equivalent O(3)Pr4 tetrahedra, edges with two equivalent O(5)Pr6 octahedra, edges with four equivalent O(1)Pr5 square pyramids, edges with two equivalent O(3)Pr4 tetrahedra, and edges with four equivalent O(2)Pr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.732
_cell_length_b   7.503
_cell_length_c   9.095
_cell_angle_alpha   99.503
_cell_angle_beta   90.000
_cell_angle_gamma   104.402
_symmetry_Int_Tables_number   1
_cell_volume   243.083
_cell_formula_units_Z   3
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  0.966  0.932  0.189  1.0
  Pr  Pr1  1  0.034  0.068  0.811  1.0
  Pr  Pr2  1  0.310  0.619  0.862  1.0
  Pr  Pr3  1  0.635  0.269  0.489  1.0
  Pr  Pr4  1  0.365  0.731  0.511  1.0
  Pr  Pr5  1  0.690  0.381  0.138  1.0
  O  O6  1  0.129  0.259  0.287  1.0
  O  O7  1  0.176  0.351  0.974  1.0
  O  O8  1  0.474  0.948  0.344  1.0
  O  O9  1  0.798  0.597  0.373  1.0
  O  O10  1  0.871  0.741  0.713  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.526  0.052  0.656  1.0
  O  O13  1  0.824  0.649  0.026  1.0
  O  O14  1  0.202  0.403  0.627  1.0
[/CIF]
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