The material structure described by Pr(WO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. In the second W site, W(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the third W site, W(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the fourth W site, W(4) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(2), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Pr(1), one W(1), and one W(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Pr(1), one W(2), and one W(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one W(2), and one W(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one W(1), and one W(4) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Pr(2), one W(3), and one W(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Pr(1), one W(3), and one W(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Pr(2), one W(1), and one W(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Pr(2), one W(2), and one W(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one W(1), and one W(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one W(2), and one W(3) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Pr(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_Pr(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.710
_cell_length_c   7.966
_cell_angle_alpha   90.576
_cell_angle_beta   90.417
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   252.851
_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
  Pr  Pr0  1  0.992  0.051  0.750  1.0
  Pr  Pr1  1  0.484  0.444  0.249  1.0
  W  W2  1  0.997  0.508  0.997  1.0
  W  W3  1  0.997  0.508  0.499  1.0
  W  W4  1  0.498  0.993  0.501  1.0
  W  W5  1  0.501  0.991  0.002  1.0
  O  O6  1  0.908  0.515  0.249  1.0
  O  O7  1  0.798  0.797  0.954  1.0
  O  O8  1  0.797  0.797  0.547  1.0
  O  O9  1  0.712  0.263  0.534  1.0
  O  O10  1  0.731  0.288  0.970  1.0
  O  O11  1  0.560  0.021  0.251  1.0
  O  O12  1  0.412  0.987  0.749  1.0
  O  O13  1  0.282  0.695  0.044  1.0
  O  O14  1  0.307  0.717  0.457  1.0
  O  O15  1  0.220  0.223  0.032  1.0
  O  O16  1  0.223  0.225  0.465  1.0
  O  O17  1  0.060  0.478  0.750  1.0
[/CIF]
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The material structure described by Pr(WO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. In the second W site, W(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the third W site, W(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the fourth W site, W(4) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(2), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Pr(1), one W(1), and one W(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Pr(1), one W(2), and one W(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one W(2), and one W(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one W(1), and one W(4) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Pr(2), one W(3), and one W(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Pr(1), one W(3), and one W(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Pr(2), one W(1), and one W(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Pr(2), one W(2), and one W(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one W(1), and one W(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one W(2), and one W(3) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Pr(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_Pr(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.710
_cell_length_c   7.966
_cell_angle_alpha   90.576
_cell_angle_beta   90.417
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   252.851
_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
  Pr  Pr0  1  0.992  0.051  0.750  1.0
  Pr  Pr1  1  0.484  0.444  0.249  1.0
  W  W2  1  0.997  0.508  0.997  1.0
  W  W3  1  0.997  0.508  0.499  1.0
  W  W4  1  0.498  0.993  0.501  1.0
  W  W5  1  0.501  0.991  0.002  1.0
  O  O6  1  0.908  0.515  0.249  1.0
  O  O7  1  0.798  0.797  0.954  1.0
  O  O8  1  0.797  0.797  0.547  1.0
  O  O9  1  0.712  0.263  0.534  1.0
  O  O10  1  0.731  0.288  0.970  1.0
  O  O11  1  0.560  0.021  0.251  1.0
  O  O12  1  0.412  0.987  0.749  1.0
  O  O13  1  0.282  0.695  0.044  1.0
  O  O14  1  0.307  0.717  0.457  1.0
  O  O15  1  0.220  0.223  0.032  1.0
  O  O16  1  0.223  0.225  0.465  1.0
  O  O17  1  0.060  0.478  0.750  1.0
[/CIF]
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