The material structure described by Pr(WO3)5 crystallizes in the orthorhombic Pmmm space group. Pr(1) is bonded to four equivalent O(2) and eight equivalent O(4) atoms to form PrO12 cuboctahedra that share edges with four equivalent W(2)O6 octahedra, edges with eight equivalent W(1)O6 octahedra, and faces with two equivalent Pr(1)O12 cuboctahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(1) atoms to form WO6 octahedra that share  a cornercorner with one W(2)O6 octahedra, corners with five equivalent W(1)O6 octahedra, and edges with two equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-50°. In the second W site, W(2) is bonded to two equivalent O(5) and four equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-37°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent W(2) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Pr(WO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.847
_cell_length_b   7.462
_cell_length_c   10.239
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.959
_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  0.000  0.000  0.000  1.0
  W  W1  1  0.500  0.754  0.316  1.0
  W  W2  1  0.500  0.246  0.316  1.0
  W  W3  1  0.500  0.754  0.684  1.0
  W  W4  1  0.500  0.246  0.684  1.0
  W  W5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.237  0.313  1.0
  O  O7  1  0.500  0.000  0.768  1.0
  O  O8  1  0.000  0.763  0.687  1.0
  O  O9  1  0.500  0.500  0.651  1.0
  O  O10  1  0.500  0.000  0.232  1.0
  O  O11  1  0.500  0.697  0.124  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.697  0.876  1.0
  O  O14  1  0.500  0.193  0.500  1.0
  O  O15  1  0.000  0.237  0.687  1.0
  O  O16  1  0.500  0.303  0.124  1.0
  O  O17  1  0.500  0.807  0.500  1.0
  O  O18  1  0.500  0.500  0.349  1.0
  O  O19  1  0.500  0.303  0.876  1.0
  O  O20  1  0.000  0.763  0.313  1.0
[/CIF]
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The material structure described by Pr(WO3)5 crystallizes in the orthorhombic Pmmm space group. Pr(1) is bonded to four equivalent O(2) and eight equivalent O(4) atoms to form PrO12 cuboctahedra that share edges with four equivalent W(2)O6 octahedra, edges with eight equivalent W(1)O6 octahedra, and faces with two equivalent Pr(1)O12 cuboctahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(1) atoms to form WO6 octahedra that share  a cornercorner with one W(2)O6 octahedra, corners with five equivalent W(1)O6 octahedra, and edges with two equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-50°. In the second W site, W(2) is bonded to two equivalent O(5) and four equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-37°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent W(2) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Pr(WO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.847
_cell_length_b   7.462
_cell_length_c   10.239
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.959
_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  0.000  0.000  0.000  1.0
  W  W1  1  0.500  0.754  0.316  1.0
  W  W2  1  0.500  0.246  0.316  1.0
  W  W3  1  0.500  0.754  0.684  1.0
  W  W4  1  0.500  0.246  0.684  1.0
  W  W5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.237  0.313  1.0
  O  O7  1  0.500  0.000  0.768  1.0
  O  O8  1  0.000  0.763  0.687  1.0
  O  O9  1  0.500  0.500  0.651  1.0
  O  O10  1  0.500  0.000  0.232  1.0
  O  O11  1  0.500  0.697  0.124  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.697  0.876  1.0
  O  O14  1  0.500  0.193  0.500  1.0
  O  O15  1  0.000  0.237  0.687  1.0
  O  O16  1  0.500  0.303  0.124  1.0
  O  O17  1  0.500  0.807  0.500  1.0
  O  O18  1  0.500  0.500  0.349  1.0
  O  O19  1  0.500  0.303  0.876  1.0
  O  O20  1  0.000  0.763  0.313  1.0
[/CIF]
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